# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-07T13:32:07+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 2 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
"1000035","9.699","0.001","8.844","0.001","5.272","0.001","90","","106.97","0.02","90","","432.5","","","","","","","","","","","","from Kakanui, New Zealand","7","C 1 2/c 1","-C 2yc","15","","Sodium calcium magnesium iron titanium alumosilicate *","Augite","- Al0.34 Ca0.6 Fe0.2 Mg0.9 Na0.1 O6 Si1.82 -","- Al0.342 Ca0.616 Fe0.21 Mg0.902 Na0.09 O6 Si1.82 Ti0.02 -","- Al1.368 Ca2.464 Fe0.84 Mg3.608 Na0.36 O24 Si7.28 Ti0.08 -","4","0.5","","Clark, J R; Appleman, D E; Papike, J J","Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements","Mineralogical Society of America: Special Papers","1969","2","","31","50","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000285","5.4054","","5.4016","","30.7152","","90","","90","","90","","896.8","","","","","","","","","","","","","5","A m a a","-A 2a 2","66","","Dibismuth distrontium calcium dicopper oxide","","- Bi2 Ca Cu2 O8 Sr2 -","- Bi2 Ca Cu2 O8 Sr2 -","- Bi8 Ca4 Cu8 O32 Sr8 -","4","0.25","","Hervieu, M; Michel, C; Domenges, B; Laligant, Y; Lebail, A; Ferey, G; Raveau, B","Electron microscopy study of the superconductor ""Bi~2~ Sr~2~ Ca Cu~2~ O~8~""","Modern Physics Letters B","1988","2","","491","500","10.1142/S0217984988000060","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000439","7.6651","0.0013","7.6316","0.0015","6.2789","0.0006","90","","90","","90","","367.3","","","","","","","","","","","","","3","P m a b","-P 2b 2a","57","","Rubidium tetrafluoroferrate(III)","","- F4 Fe Rb -","- F4 Fe Rb -","- F16 Fe4 Rb4 -","4","0.5","","Moron, M C; Bulou, A; Pique, C; Fourquet, J L","Structural phase transitions in Rb Fe F4: I.Powder and single crystal X- ray diffraction study of the room temperature phase","Journal of Physics: Condensed Matter","1990","2","","8269","8275","10.1088/0953-8984/2/42/005","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000467","4.9305","0.0006","4.9305","0.0006","12.4462","0.0007","90","","90","","120","","262","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Aluminium fluoride","","- Al F3 -","- Al F3 -","- Al6 F18 -","6","0.166667","","Daniel, Ph; Bulou, A; Rousseau, M; Nouet, J; Fourquet, J L; Leblanc, M; Burriel, R","A study of the structural phase transitions in Al F3: X-ray powder diffraction, DSC and Raman scattering investigations of the lattice dynamics and phonon spectrum","Journal of Physics: Condensed Matter","1990","2","","5663","5677","10.1088/0953-8984/2/26/003","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001420","3.86","","3.86","","29.388","","90","","90","","90","","437.9","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Thallium barium calcium copper oxide (1.9/2/1.1/2/8)","","- Ba2 Ca1.07 Cu2 O8 Tl1.93 -","- Ba2 Ca1.07 Cu2 O8 Tl1.93 -","- Ba4 Ca2.14 Cu4 O16 Tl3.86 -","2","0.0625","","Maignan, A; Michel, C; Hervieu, M; Martin, C; Groult, D; Raveau, B","Tl~2~Ba~2~CaCu~2~O~8~: structure and superconductivity","Modern Physics Letters B","1988","2","","681","687","10.1142/S0217984988000345","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001508","35.1869","0.0022","17.6202","0.0018","7.9876","0.001","90","","90","","90","","4952.3","","","","","","","","","","","","","4","B b m 2","B 2 -2b","40","","Tetrabarium disodium decaniobate","","- Ba4 Na2 Nb10 O30 -","- Ba4 Na2 Nb10 O30 -","- Ba32 Na16 Nb80 O240 -","8","1","","Labbe, P; Leligny, H; Raveau, B; Schneck, J; Toledano, J C","X-ray structural determination of the quasi-commensurate phase of barium sodium niobate","Journal of Physics: Condensed Matter","1989","2","","25","43","10.1088/0953-8984/2/1/002","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004010","7.898","0.001","5.514","0.001","12.672","0.003","90","","103.69","0.02","90","","536.182","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,6-Hexanediammonium (μ~2~-fluoro)-tetrafluoroaluminate)","","- C6 H18 Al F5 N2 -","- C6 H18 Al2 F6 N2 -","- C12 H36 Al4 F12 N4 -","2","1","","S.P.Thanh; J.Renaudin; V.Maisonneuve","","Solid State Sciences","2000","2","","143","","10.1016/S1293-2558(00)00125-4","","","","","","","0.056","","","0.056","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004098","15.723","0.009","15.723","0.009","18.069","0.018","90","","90","","90","","4466.9","","","","","","","","","","","","","5","I 4 m m","I 4 -2","107","","Potassium hexachloroindate hydrate","","- Cl6 H2 In K3 O -","- Cl6 H2 In K3 O -","- Cl84 H28 In14 K42 O14 -","14","0.875","","Wignacourt, J - P; Nowogrocki, G; Mairesse, G; Barbier, P","Evidence for ionic isomerism in complex salts. X-ray evidence in K~3~InCl~6~.H~2~O","Reviews in Inorganic Chemistry","1980","2","","207","217","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006028","8.4989","0.0001","8.4989","0.0001","5.7973","0.0001","90","","90","","90","","418.7","","","","1.5","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006029","8.4988","0.0001","8.4988","0.0001","5.7976","0.0001","90","","90","","90","","418.8","","","","30","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006030","8.4987","0.0001","8.4987","0.0001","5.7999","0.0001","90","","90","","90","","418.9","","","","75","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006031","8.5039","0.0001","8.5039","0.0001","5.8202","0.0001","90","","90","","90","","420.9","","","","290","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1007040","12.881","0.005","12.771","0.005","12.424","0.005","90","","91.34","0.05","90","","2043.2","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Holmium phyllo-14-oxopentaphosphate","","- Ho O14 P5 -","- Ho O14 P5 -","- Ho8 O112 P40 -","8","1","","Bagieu, M; Tordjman, I; Durif, A; Bassi, G","Holmium ultraphosphate, Ho P~5~ O~14~","Crystal Structure Communications","1973","2","","387","390","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007056","12.228","0.005","12.228","0.005","5.451","0.003","90","","90","","120","","705.9","","","","","","","","","","","","","4","P -3","-P 3","147","","CADMIUM CYCLO-TRIPHOSPHATE 14-HYDRATE","","- Cd3 H28 O32 P6 -","- Cd3 H16.667 O25.333 P6 -","- Cd3 H16.667 O25.333 P6 -","1","0.166667","","Averbuch-Pouchot, M T; Durif, A; Tordjman, I","Cadmium trimetaphosphate tetradecahydrate, Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~","Crystal Structure Communications","1973","2","","89","90","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008610","5.9454","0.0003","5.9454","0.0003","5.9454","0.0003","90","","90","","90","","210.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.98/.03/2.05)","","- F2.05 Pb0.975 Th0.025 -","- F2.04 Pb0.975 Th0.025 -","- F8.16 Pb3.9 Th0.1 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008611","5.9465","0.0003","5.9465","0.0003","5.9465","0.0003","90","","90","","90","","210.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.95/.05/2.1)","","- F2.1 Pb0.95 Th0.05 -","- F2.08 Pb0.95 Th0.05 -","- F8.32 Pb3.8 Th0.2 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008612","5.9528","0.0003","5.9528","0.0003","5.9528","0.0003","90","","90","","90","","210.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.9/.1/2.2)","","- F2.2 Pb0.9 Th0.1 -","- F2.18 Pb0.9 Th0.1 -","- F8.72 Pb3.6 Th0.4 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008613","5.957","0.0003","5.957","0.0003","5.957","0.0003","90","","90","","90","","211.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.88/.13/2.25)","","- F2.25 Pb0.875 Th0.125 -","- F2.256 Pb0.875 Th0.125 -","- F9.024 Pb3.5 Th0.5 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008614","5.9581","0.0003","5.9581","0.0003","5.9581","0.0003","90","","90","","90","","211.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.85/.15/2.3)","","- F2.3 Pb0.85 Th0.15 -","- F2.28 Pb0.85 Th0.15 -","- F9.12 Pb3.4 Th0.6 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008615","5.9644","0.0003","5.9644","0.0003","5.9644","0.0003","90","","90","","90","","212.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.8/.2/2.4)","","- F2.4 Pb0.8 Th0.2 -","- F2.376 Pb0.8 Th0.2 -","- F9.504 Pb3.2 Th0.8 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008616","5.9687","0.0003","5.9687","0.0003","5.9687","0.0003","90","","90","","90","","212.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.77/.23/2.46)","","- F2.46 Pb0.77 Th0.23 -","- F2.456 Pb0.77 Th0.23 -","- F9.824 Pb3.08 Th0.92 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffracton de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008794","5.466","0.001","5.466","0.001","13.982","0.002","90","","90","","120","","361.8","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cobalt hexafluorozirconate - LT","","- Co F6 Zr -","- Co F6 Zr -","- Co3 F18 Zr3 -","3","0.166667","","Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L","Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study","Journal of Physics: Condensed Matter","1990","2","","7373","7386","10.1088/0953-8984/2/36/001","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008795","7.989","0.001","7.989","0.001","7.989","0.001","90","","90","","90","","509.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cobalt hexafluorozirconate - HT","","- Co F6 Zr -","- Co F6 Zr -","- Co4 F24 Zr4 -","4","0.0208333","","Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L","Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study","Journal of Physics: Condensed Matter","1990","2","","7373","7386","10.1088/0953-8984/2/36/001","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008939","3.846","","3.846","","12.594","","90","","90","","90","","186.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Strontium neodymium iron(III) oxide","","- Fe Nd O4 Sr -","- Fe Nd O4 Sr -","- Fe2 Nd2 O8 Sr2 -","2","0.0625","","Joubert, J C; Collomb, A; Elmaleh, D; le Flem, G; Daoudi, A; Ollivier, G","Sur quelques nouveaux oxydes mixtes de strontium et d'elements de transition du type K2 Ni F4","Journal of Solid State Chemistry","1970","2","","343","346","10.1016/0022-4596(70)90092-7","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008940","3.846","","3.846","","12.594","","90","","90","","90","","186.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Strontium neodymium iron(III) oxide","","- Fe Nd O4 Sr -","- Fe Nd O4 Sr -","- Fe2 Nd2 O8 Sr2 -","2","0.0625","","Joubert, J C; Collomb, A; Elmaleh, D; le Flem, G; Daoudi, A; Ollivier, G","Sur quelques nouveaux oxydes mixtes de strontium et d'elements de transition du type K2 Ni F4","Journal of Solid State Chemistry","1970","2","","343","346","10.1016/0022-4596(70)90092-7","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009075","3.819","0.001","3.819","0.001","22.96399","0.005","90","","90","","90","","334.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Disamarium dititanium pentaoxide disulfide","","- O5 S2 Sm2 Ti2 -","- O5 S2 Sm2 Ti2 -","- O10 S4 Sm4 Ti4 -","2","0.0625","","Boyer, C; Deudon, C; Meerschaut, A","Synthesis and structure determination of the new Sm2 Ti2 O5 S2 compound","C. R. Acad. Sci. Paris, T. 1, Serie II","1999","2","","93","99","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010304","3.98","0.02","7.57","0.04","11.47","0.06","90","","90","","90","","345.6","","","","","","","","","","","","","4","A b m m","-A 2b 2b","67","","Ammonium dihydrogen phosphate(I)","","- H6 N O2 P -","- H6 N O2 P -","- H24 N4 O8 P4 -","4","0.25","","Zachariasen, W H; Mooney, R C L","The Structure of the Hypophosphite Group as Determined from the Crystal Lattice of Ammonium Hypophosphite","Journal of Chemical Physics","1934","2","","34","37","10.1063/1.1749354","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010322","5.33","0.02","5.33","0.02","5.33","0.02","90","","90","","90","","151.4","","","","","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","Caesium silver gold chloride *","","- Ag0.5 Au0.5 Cl3 Cs -","- Ag0.5 Au0.5 Cl3 Cs -","- Ag0.5 Au0.5 Cl3 Cs -","1","0.0416667","","Elliott, N","The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~","Journal of Chemical Physics","1934","2","","419","421","10.1063/1.1749500","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010323","5.33","0.02","5.33","0.02","5.33","0.02","90","","90","","90","","151.4","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Caesium gold gold(III) chloride *","","- Au Cl3 Cs -","- Au Cl3 Cs -","- Au Cl3 Cs -","1","0.0416667","","Elliott, N","The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~","Journal of Chemical Physics","1934","2","","419","421","10.1063/1.1749500","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100033","4.242","","4.242","","4.242","","90","","90","","90","","76.3","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N0.96 Ti0.96 -","- N3.84 Ti3.84 -","4","0.0208333","","Ehrlich, P; Juza, R","","Fiat Review of German Science","1948","2","","64","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:30:08",""
"1100427","20.799","0.001","20.799","0.001","14.501","0.0007","90","","90","","120","","5432.67","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H108 Li12 O24 -","- C288 H648 Li72 O144 -","- C864 H1944 Li216 O432 -","3","0.166667","","Boche, Gernot; Möbus, Konrad; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael","[Lithiumtert-butylperoxide]~12~: Crystal Structure of an Aggregated Oxenoid","Chemistry - A European Journal","1996","2","5","604","607","10.1002/chem.19960020521","","","","","","","","","","","","","","","","","","","","","has coordinates","177550","2020-10-21","18:00:00",""
"1101045","4.244","","4.244","","4.244","","90","","90","","90","","76.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","Ehrlich, P; Juza, R","Review of German Science, 1939-1946, Inorganic Chemistry.","Fiat Review of German Science","1948","2","","64","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1507213","17.215","0","17.215","0","28.082","0","90","0","90","0","120","0","7207.3","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C48 H96 Al21 Na21 O216 Si75 -","- O96 Si48 -","- O192 Si96 -","2","0.0833333","","Baerlocher, Ch.; McCusker, L.B.; Chiappetta, R.","Location of the 18-crown-6 template in EMC-2 (EMT). Rietveld refinement of the calcined ans as-synthesized forms","Microporous Materials","1994","2","","269","280","10.1016/0927-6513(93)E0062-L","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507546","11.335","0.009","5.24","0.008","13.442","0.01","90","","104.1","0.05","90","","774.3","1.5","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","McAuley, Barry J.; Nieuwenhuyzen, Mark; Sheldrake, Gary N.","An Unusual Samarium Diiodide Mediated Reductive Ring Contraction of a Tricyclic Oxazine to a Highly-Functionalized Cyclopentane and Cyclobutane","Organic Letters","2000","2","10","1457","","10.1021/ol000057q","","","0.71073","MoKα","","0.1279","0.0608","","","0.1195","0.1466","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507547","18.672","0.0013","9.6069","0.0007","6.5761","0.0005","90","","97.519","0.001","90","","1169.48","0.15","163","2","163","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C40 H56 N8 O24 -","8","2","","Cheng, Jianjun; Ziller, Joseph W.; Deming, Timothy J.","Synthesis of Optically Active β-Amino AcidN-Carboxyanhydrides","Organic Letters","2000","2","13","1943","","10.1021/ol000122w","","","0.71073","MoKα","","0.0343","0.0328","","","0.088","0.0891","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507548","7.295","0.002","10.9","0.002","11.366","0.002","76.21","0.02","88.53","0.02","76.68","0.02","853.7","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H27 N O3 -","- C17.005 H27 N O3 -","- C34.01 H54 N2 O6 -","2","1","","Deiters, Alexander; Mück-Lichtenfeld, Christian; Fröhlich, Roland; Hoppe, Dieter","Asymmetric Synthesis of a (2Z,7E)-Cyclononadiene by an Intramolecular Cycloalkylation and Insight to Its Conformational Properties","Organic Letters","2000","2","16","2415","","10.1021/ol005998h","","","1.54178","CuKα","","0.1578","0.0631","","","0.1615","0.2058","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507549","12.044","0.002","25.471","0.002","14.6318","0.0015","90","","113.524","0.009","90","","4115.6","0.9","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H100 F12 N4 O20 P2 -","- C80 H100 F12 N4 O20 P2 -","- C160 H200 F24 N8 O40 P4 -","2","1","","Chang, Theresa; Heiss, Aaron M.; Cantrill, Stuart J.; Fyfe, Matthew C. T.; Pease, Anthony R.; Rowan, Stuart J.; Stoddart, J. Fraser; Williams, David J.","Toward Interlocked Molecules beyond Catenanes and Rotaxanes","Organic Letters","2000","2","19","2943","","10.1021/ol006187g","","","1.54178","CuKα","","0.0678","0.0615","","0.1729","0.1639","","","","1.041","1.053","1.053","","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507550","27.3","0.006","9.301","0.0019","17.584","0.004","90","","129.37","0.03","90","","3452","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diver-5B","","","- C19 H20 N2 O S2 -","- C19 H20 N2 O S2 -","- C152 H160 N16 O8 S16 -","8","1","","Ellis, Keisha K.; Wilke, Burkhardt; Zhang, Yuegang; Diver, Steven T.","A New Method for the Synthesis of Imidazolidinone- and Benzimidazolone-Containing [2.2]Cyclophanes","Organic Letters","2000","2","24","3785","","10.1021/ol0064866","","","0.71073","MoKα","","0.0419","0.0396","","","0.106","0.1085","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507551","7.5911","0.0007","13.9115","0.0011","14.3428","0.001","90","","90","","90","","1514.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DIVER-7B","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","1","","Ellis, Keisha K.; Wilke, Burkhardt; Zhang, Yuegang; Diver, Steven T.","A New Method for the Synthesis of Imidazolidinone- and Benzimidazolone-Containing [2.2]Cyclophanes","Organic Letters","2000","2","24","3785","","10.1021/ol0064866","","","0.71073","MoKα","","0.0471","0.0358","","","0.0705","0.0748","","","","","","0.954","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507552","24.808","0.002","5.9534","0.0005","13.2719","0.0008","90","","96.887","0.006","90","","1946","0.3","213","2","213","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","1","","Paczkowski, Ralph; Maichle-Mössmer, Cäcilia; Maier, Martin E.","A Formal Total Synthesis of Dysidiolide","Organic Letters","2000","2","25","3967","","10.1021/ol006742e","","","1.54184","CuKα","","0.0847","0.0599","","","0.1519","0.1718","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507553","16.744","","4.719","","19.995","","90","","102.7","","90","","1541.25","","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3-(2-methyl-acroylamido)-2-phenylacetylamino-acrylate Methyl 3-(2-methyl-acroylamido)-2-phenylacetylamino-acrylate","","- C15 H15 N2 O4 -","- C16 N2 O4 -","- C64 N8 O16 -","4","1","","Gunda, Tamas E.","Rearrangement and Degradation of Cephalosporins and Penicillins in the Presence of Mercury(II) Trifluoroacetate","Organic Letters","2000","2","2","103","","10.1021/ol9911627","","","0.71073","MoKα","","0.1097","0.0911","","0.2921","0.2654","","","","1.092","1.151","1.151","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507554","11.144","0.002","11.144","0.002","27.418","0.007","90","","90","","120","","2948.8","1.1","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C132 H138 N6 O24 -","6","2","","Gizecki, Patricia; Dhal, Robert; Toupet, Loïc; Dujardin, Gilles","First Asymmetric Synthesis of a 6-Alkoxy-5,6-dihydro-1,3-oxazine: A Promising Enantioselective Route to β-Amido Aldehydes","Organic Letters","2000","2","5","585","","10.1021/ol991326j","","","0.71069","MoKα","","0.1392","0.0635","","","0.1589","0.1955","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507756","3.9999","","3.9999","","4.017","","90","","90","","90","","64.269","","","","","","","","","","","","","3","P 4 m m","P 4 -2","99","Barium titanate","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.125","","Natheer B. Mahmood; Emad K. Al-Shakarchi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","267938","2021-08-04","12:03:41",""
"1507757","4.0073","","4.0073","","4.0073","","90","","90","","90","","64.351","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","Barium titanate","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.0208333","","Natheer B. Mahmood; Emad K. Al-Shakarchi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","267938","2021-08-04","12:03:51",""
"1508004","11.2764","0.0004","26.267","0.0011","13.5398","0.0006","90","","96.524","0.002","90","","3984.5","0.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Hf2 N2 Si2 -","- C40 H60 Hf2 N2 Si2 -","- C160 H240 Hf8 N8 Si8 -","4","1","","Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J.","Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex.","Nature chemistry","2010","2","1","30","35","10.1038/nchem.477","","","0.71073","MoKα","","0.0847","0.0479","","","0.0866","0.0979","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508005","8.7137","0.0005","13.6257","0.0008","17.4952","0.0011","96.123","0.002","92.498","0.002","95.596","0.002","2052.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Hf2 N2 O2 Si2 -","- C42 H60 Hf2 N2 O2 Si2 -","- C84 H120 Hf4 N4 O4 Si4 -","2","1","","Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J.","Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex.","Nature chemistry","2010","2","1","30","35","10.1038/nchem.477","","","0.71073","MoKα","","0.045","0.03","","","0.0578","0.0622","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508006","10.7033","0.0006","13.8345","0.0007","14.9713","0.0008","91.954","0.003","104.98","0.003","109.366","0.002","2002.83","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H60 Hf2 N2 O Si2 -","- C41 H60 Hf2 N2 O Si2 -","- C82 H120 Hf4 N4 O2 Si4 -","2","1","","Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J.","Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex.","Nature chemistry","2010","2","1","30","35","10.1038/nchem.477","","","0.71073","MoKα","","0.0847","0.0461","","","0.1074","0.1288","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508007","6.5955","0.0002","7.882","0.0002","29.1769","0.0008","90","","90","","90","","1516.78","0.07","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O -","- C17 H26 O -","- C68 H104 O4 -","4","1","","Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul","Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds.","Nature chemistry","2010","2","2","125","130","10.1038/nchem.505","","","0.71073","MoKα","","0.054","0.0386","","","0.0896","0.0972","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508008","15.7972","0.0005","6.3827","0.0002","26.214","0.0008","90","","96.5673","0.0019","90","","2625.78","0.14","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","1","","Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul","Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds.","Nature chemistry","2010","2","2","125","130","10.1038/nchem.505","","","0.71073","MoKα","","0.0854","0.0574","","","0.1541","0.1739","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508009","16.2591","0.0005","9.4526","0.0003","18.8939","0.0005","90","","95.508","0.0018","90","","2890.41","0.15","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O -","- C34 H52 O -","- C136 H208 O4 -","4","2","","Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul","Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds.","Nature chemistry","2010","2","2","125","130","10.1038/nchem.505","","","0.71073","MoKα","","0.07","0.0462","","","0.1079","0.1221","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508010","17.113","0.003","16.1501","0.0017","20.618","0.004","90","","107.588","0.002","90","","5432","1.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 2c","Compound 2c","","- C56 H48 F24 N2 O4 Si2 -","- C56 H48 F24 N2 O4 Si2 -","- C224 H192 F96 N8 O16 Si8 -","4","0.5","","Kano, Naokazu; Miyake, Hideaki; Sasaki, Keishi; Kawashima, Takayuki; Mizorogi, Naomi; Nagase, Shigeru","Dianionic species with a bond consisting of two pentacoordinated silicon atoms.","Nature chemistry","2010","2","2","112","116","10.1038/nchem.513","","","0.7107","MoKα","","0.0433","0.0374","","","0.1015","0.1075","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508011","10.2994","0.0003","12.6537","0.0004","13.9603","0.0004","90","","90","","90","","1819.38","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","1","","Streuff, Jan; White, David E.; Virgil, Scott C.; Stoltz, Brian M.","A palladium-catalysed enolate alkylation cascade for the formation of adjacent quaternary and tertiary stereocentres.","Nature chemistry","2010","2","3","192","196","10.1038/nchem.518","","","1.54178","CuKα","","0.0311","0.0293","","","0.0643","0.065","","","","","","1.975","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508012","6.7294","0.0002","15.7191","0.0005","17.4651","0.0006","90","","98.474","0.001","90","","1827.29","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","2","","Streuff, Jan; White, David E.; Virgil, Scott C.; Stoltz, Brian M.","A palladium-catalysed enolate alkylation cascade for the formation of adjacent quaternary and tertiary stereocentres.","Nature chemistry","2010","2","3","192","196","10.1038/nchem.518","","","1.54178","CuKα","","0.0388","0.0355","","","0.0684","0.0694","","","","","","1.512","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508013","9.1374","0.0016","10.0229","0.0017","11.704","0.002","90","","106.312","0.003","90","","1028.7","0.3","273","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4 H16 Ga2 N2 O S7 Sb2 -","- C4 H16 Ga2 N2 O S7 Sb2 -","- C8 H32 Ga4 N4 O2 S14 Sb4 -","2","1","","Ding, Nan; Kanatzidis, Mercouri G.","Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide.","Nature chemistry","2010","2","3","187","191","10.1038/nchem.519","","","0.71073","MoKα","","0.0651","0.0577","","","0.1422","0.1487","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508014","15.591","0.003","9.1815","0.0018","12.575","0.003","90","","114.26","0.03","90","","1641.1","0.7","293","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Cs2 Ga2 S7 Sb2 -","- Cs2 Ga2 S7 Sb2.004 -","- Cs8 Ga8 S28 Sb8.016 -","4","1","","Ding, Nan; Kanatzidis, Mercouri G.","Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide.","Nature chemistry","2010","2","3","187","191","10.1038/nchem.519","","","0.71073","MoKα","","0.1429","0.1089","","","0.2671","0.2956","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508015","18.57","0.003","10.7448","0.0018","16.801","0.003","90","","110.877","0.003","90","","3132.2","0.9","273","2","273","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","#540-C54Cl8/1","","","- C54 Cl8 -","- C54 Cl8 -","- C216 Cl32 -","4","0.5","","Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun","Chlorofullerenes featuring triple sequentially fused pentagons.","Nature chemistry","2010","2","4","269","273","10.1038/nchem.549","","","0.71073","MoKα","","0.0485","0.0436","","","0.1237","0.1274","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508016","17.919","0.003","36.241","0.006","12.291","0.002","90","","90.174","0.003","90","","7982","2","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","#864-C56Cl12/2","","","- C59.5 H4 Cl12 -","- C59.5 H4 Cl12 -","- C476 H32 Cl96 -","8","2","","Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun","Chlorofullerenes featuring triple sequentially fused pentagons.","Nature chemistry","2010","2","4","269","273","10.1038/nchem.549","","","0.71073","MoKα","","0.1215","0.1094","","","0.2293","0.2357","","","","","","1.21","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508017","10.812","0.002","19.202","0.004","17.156","0.004","90","","105.162","0.004","90","","3437.8","1.3","273","2","273","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","#4169-C66Cl6/3","","","- C66 Cl6 -","- C66 Cl6 -","- C264 Cl24 -","4","1","","Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun","Chlorofullerenes featuring triple sequentially fused pentagons.","Nature chemistry","2010","2","4","269","273","10.1038/nchem.549","","","0.71073","MoKα","","0.1014","0.0803","","","0.2032","0.2203","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508018","12.3298","0.0003","18.7616","0.0005","19.4956","0.0005","96.637","0.002","100.007","0.002","100.282","0.002","4319.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","#4169-C66Cl10/4","","","- C285 H23 Cl40 -","- C285 H23 Cl40 -","- C285 H23 Cl40 -","1","0.5","","Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun","Chlorofullerenes featuring triple sequentially fused pentagons.","Nature chemistry","2010","2","4","269","273","10.1038/nchem.549","","","1.54178","CuKα","","0.0842","0.0705","","","0.1518","0.1558","","","","","","1.255","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508019","17.919","0.004","15.19","0.004","8.255","0.002","90","","90","","90","","2246.9","0.9","190","","190","","","","","","","","","3","A b a 2","A 2 -2ab","41","","2,6-Bis[1,1-bis(2-pyridyl)ethyl]pyridine","","- C29 H25 N5 -","- C29 H25 N5 -","- C116 H100 N20 -","4","","","Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.","High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.","Nature chemistry","2010","2","5","362","368","10.1038/nchem.585","","","0.71073","MoKα","","0.0376","0.0346","","","0.0966","0.099","","","","","","0.838","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508020","11.55","0.004","12.579","0.005","13.191","0.005","110.056","0.005","108.607","0.006","90.638","0.006","1690.4","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Acetonitrilo(2,6-bis[1,1-bis(2-pyridyl)ethyl]pyridine) vanadium(II) bis(hexafluorophosphate)","","- C31 H28 F12 N6 O0 P2 V -","- C31 H28 F12 N6 P2 V -","- C62 H56 F24 N12 P4 V2 -","2","1","","Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.","High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.","Nature chemistry","2010","2","5","362","368","10.1038/nchem.585","","","0.71073","MoKα","","0.1399","0.0837","","","0.176","0.2126","","","","","","1.04","","","","has coordinates","194610","2020-10-21","18:00:00",""
"1508021","21.554","0.002","14.9192","0.0015","24.647","0.003","90","","115.805","0.001","90","","7135.4","1.3","154","2","154","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mu-4,5-diphenyimidazolato-bis(2,6-bis[1,1-bis(2-pyridyl)ethyl]pyridine)divanadium(II) tris(hexafluorophosphate)","","- C75 H64 F18 N13 P3 V2 -","- C75 H64 F18 N13 P3 V2 -","- C300 H256 F72 N52 P12 V8 -","4","1","","Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.","High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.","Nature chemistry","2010","2","5","362","368","10.1038/nchem.585","","","0.71073","MoKα","","0.1147","0.0643","","","0.1586","0.1831","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508022","13.8924","0.0014","38.601","0.004","15.8142","0.0016","90","","106.114","0.002","90","","8147.3","1.4","154","2","154","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mu-5,6-dimethylbenzimidazolato-bis(2,6-bis[1,1-bis(2-pyridyl)ethyl]pyridine)divanadium(II) tris(hexafluorophosphate)","","- C78 H79.5 F18 N15.5 O P3 V2 -","- C78 H79.5 F18 N15.5 O P3 V2 -","- C312 H318 F72 N62 O4 P12 V8 -","4","1","","Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.","High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.","Nature chemistry","2010","2","5","362","368","10.1038/nchem.585","","","0.71073","MoKα","","0.1267","0.0678","","","0.1583","0.1816","","","","","","1.019","","","","has coordinates","194610","2020-10-21","18:00:00",""
"1508023","23.4395","0.001","21.7426","0.001","17.4435","0.0008","90","","90","","90","","8889.8","0.7","151","2","151","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","mu-5,6-dimethylbenzImidazolato-bis(2,6-bis[1,1-bis(2-pyridyl)ethyl]pyridine)divanadium(II/III) tetrakis(hexafluorophosphate)","","- C81 H84 F24 N17 O P4 V2 -","- C81 H84 F24 N17 O P4 V2 -","- C324 H336 F96 N68 O4 P16 V8 -","4","1","","Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.","High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.","Nature chemistry","2010","2","5","362","368","10.1038/nchem.585","","","0.71073","MoKα","","0.059","0.0507","","","0.1321","0.1401","","","","","","1.03","","","","has coordinates","194610","2020-10-21","18:00:00",""
"1508024","9.832","0.002","10.944","0.002","12.335","0.003","94.45","0.03","97.04","0.03","104.09","0.03","1269.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) hexafluorophosphate with ""part-chair"" conformation_2CH3CN","","","- C42 H40 F24 N12 P4 -","- C42 H40 F24 N12 P4 -","- C42 H40 F24 N12 P4 -","1","0.5","","Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L.","A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace.","Nature chemistry","2010","2","5","406","409","10.1038/nchem.597","","","0.71073","MoKα","","0.0488","0.0466","","","0.1142","0.1157","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508025","12.2809","0.0007","14.7942","0.0009","15.6032","0.001","64.702","0.002","86.784","0.002","77.402","0.002","2499.1","0.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) hexafluorophosphate with ""boat"" conformation_CH3CN","","","- C40 H37 F24 N11 P4 -","- C40 H37 F24 N11 P4 -","- C80 H74 F48 N22 P8 -","2","1","","Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L.","A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace.","Nature chemistry","2010","2","5","406","409","10.1038/nchem.597","","","0.7107","MoKα","","0.169","0.0864","","","0.1762","0.2109","","","","","","1.167","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508026","9.6484","0.0019","10.886","0.002","12.208","0.002","107.06","0.03","92.25","0.03","93.86","0.03","1220.7","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene)_mono-terephthalate anion_ hexafluorophosphate with ""part-chair"" conformation_4H2O","","","- C46 H47 F18 N10 O8 P3 -","- C46 H39 F18 N10 O8 P3 -","- C46 H39 F18 N10 O8 P3 -","1","0.5","","Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L.","A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace.","Nature chemistry","2010","2","5","406","409","10.1038/nchem.597","","","0.71073","MoKα","","0.0654","0.0476","","","0.1188","0.1293","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508027","10.9546","0.0007","11.5774","0.0008","30.591","0.002","85.323","0.003","81.59","0.003","63.569","0.004","3436.2","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 F3 O3 P2 Pd S -","- C36 H41 F3 O3 P2 Pd S -","- C144 H164 F12 O12 P8 Pd4 S4 -","4","2","","Wassenaar, Jeroen; Jansen, Eveline; van Zeist, Willem-Jan; Bickelhaupt, F. Matthias; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.","Catalyst selection based on intermediate stability measured by mass spectrometry.","Nature chemistry","2010","2","5","417","421","10.1038/nchem.614","","","0.71073","MoKα","","0.0651","0.0525","","","0.0999","0.1044","","","","","","1.255","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508028","13.2289","0.0017","23.185","0.003","23.482","0.003","90","","96.49","0.002","90","","7156.1","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 B F20 N2 P2 -","- C70 H70 B F20 N2 P2 -","- C280 H280 B4 F80 N8 P8 -","4","1","","Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy","Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications.","Nature chemistry","2010","2","5","369","373","10.1038/nchem.617","","","0.71073","MoKα","","0.1209","0.0593","","","0.1165","0.1364","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508029","12.4547","0.0011","39.76","0.004","16.5856","0.0015","90","","97.978","0.001","90","","8133.7","1.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 B F21 N4 P2 -","- C84 H77 B F21 N4 P2 -","- C336 H308 B4 F84 N16 P8 -","4","1","","Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy","Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications.","Nature chemistry","2010","2","5","369","373","10.1038/nchem.617","","","0.71073","MoKα","","0.0655","0.051","","","0.134","0.1416","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508030","11.9641","0.0008","12.3049","0.0007","12.6616","0.0007","88.469","0.003","62.462","0.003","63.204","0.003","1435.93","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 F3 N2 O3 P S -","- C28 H36 F3 N2 O3 P S -","- C56 H72 F6 N4 O6 P2 S2 -","2","1","","Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy","Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications.","Nature chemistry","2010","2","5","369","373","10.1038/nchem.617","","","0.71073","MoKα","","0.0586","0.051","","","0.1245","0.1289","","","","","","1.105","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508031","19.3329","0.0005","19.3329","0.0005","19.3329","0.0005","90","","90","","90","","7225.9","0.3","293","2","293","2","","","","","","","","7","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C40 H40 Ag26 N60 O80 P2 W24 -","- C36 H36 Ag26.04 N54 O80 P2 W24 -","- C72 H72 Ag52.08 N108 O160 P4 W48 -","2","0.0416667","","Kuang, Xiaofei; Wu, Xiaoyuan; Yu, Rongmin; Donahue, James P.; Huang, Jinshun; Lu, Can-Zhong","Assembly of a metal-organic framework by sextuple intercatenation of discrete adamantane-like cages.","Nature chemistry","2010","2","6","461","465","10.1038/nchem.618","","","0.71073","MoKα","","0.0791","0.0771","","","0.2306","0.2356","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508032","15.5486","0.0002","21.1547","0.0002","23.1083","0.0002","90","","90","","90","","7600.92","0.14","153","2","153","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 N3 O40 P V2 W10 -","- C24 N3 O40 P V2 W10 -","- C96 N12 O160 P4 V8 W40 -","4","0.5","","Kamata, Keigo; Yonehara, Kazuhiro; Nakagawa, Yoshinao; Uehara, Kazuhiro; Mizuno, Noritaka","Efficient stereo- and regioselective hydroxylation of alkanes catalysed by a bulky polyoxometalate.","Nature chemistry","2010","2","6","478","483","10.1038/nchem.648","","x-ray","0.71069","MoKα","","","0.0761","","","","0.2302","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508033","15.13","0.003","25.587","0.004","31.3","0.006","90","","90","","90","","12117","4","153","2","153","2","","","","","","","","5","P c c 2","P 2 -2c","27","","","","- C126 H140 B2 N3 O8 -","- C126 H140 B2 N3 O8 -","- C504 H560 B8 N12 O32 -","4","1","","Miwa, Kazuhiro; Furusho, Yoshio; Yashima, Eiji","Ion-triggered spring-like motion of a double helicate accompanied by anisotropic twisting.","Nature chemistry","2010","2","6","444","449","10.1038/nchem.649","","","0.71073","MoKa","","0.1612","0.1037","","","0.2745","0.3175","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508034","15.661","0.002","27.148","0.004","26.357","0.004","90","","95.726","0.003","90","","11150","3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H142 B2 N7 Na O8 -","- C126 H127 B2 N7 Na O8 -","- C504 H508 B8 N28 Na4 O32 -","4","1","","Miwa, Kazuhiro; Furusho, Yoshio; Yashima, Eiji","Ion-triggered spring-like motion of a double helicate accompanied by anisotropic twisting.","Nature chemistry","2010","2","6","444","449","10.1038/nchem.649","","","0.71073","MoKa","","0.1006","0.0677","","","0.1871","0.2143","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508035","13.582","0.0002","14.3581","0.0002","20.6839","0.0003","90","","90","","90","","4033.6","0.1","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","6b","","","- C37 H57 F3 Fe N2 O3 P3 S Si -","- C37 H58 F3 Fe N2 O3 P3 S Si -","- C148 H232 F12 Fe4 N8 O12 P12 S4 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0239","0.0233","","","0.059","0.0592","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508036","13.2539","0.0003","16.3059","0.0003","21.3757","0.0004","90","","90.561","0.001","90","","4619.43","0.16","100","2","100","2","","","","","","","","9","P 1 n 1","P -2yac","7","7a","","","- C98 H81 B F24 Fe N O3 P3 Si -","- C98 H81 B F24 Fe N O3 P3 Si -","- C196 H162 B2 F48 Fe2 N2 O6 P6 Si2 -","2","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0336","0.0329","","","0.0911","0.0915","","","","","","1.042","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508037","12.9134","0.0015","38.169","0.004","14.466","0.0016","90","","92.377","0.002","90","","7124","1.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","7b","","","- C68 H69 B F24 Fe N P3 Si -","- C68 H69 B F24 Fe N P3 Si -","- C272 H276 B4 F96 Fe4 N4 P12 Si4 -","4","2","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.1217","0.0626","","","0.1221","0.1452","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508039","16.802","0.0015","14.061","0.0013","25.384","0.002","90","","104.615","0.002","90","","5803","0.9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","8","","","- C65 H62 F3 Fe N2 O4 P3 S Si -","- C65 H62 F3 Fe N2 O4 P3 S Si -","- C260 H248 F12 Fe4 N8 O16 P12 S4 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.119","0.0799","","","0.2082","0.2389","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508040","19.2563","0.0006","14.1012","0.0004","24.8052","0.0008","90","","103.907","0.002","90","","6538.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","9a","","","- C78 H51 B F15 Fe N2 P3 Si -","- C78 H51 B F15 Fe N2 P3 Si -","- C312 H204 B4 F60 Fe4 N8 P12 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0938","0.0555","","","0.1219","0.1385","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508041","14.1228","0.0003","21.6463","0.0004","21.0628","0.0004","90","","95.819","0.001","90","","6405.9","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","9b","","","- C65 H83 B F15 Fe N2 P3 Si -","- C65 H83 B F15 Fe N2 P3 Si -","- C260 H332 B4 F60 Fe4 N8 P12 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0471","0.0459","","","0.1271","0.1281","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508042","22.9376","0.0005","12.8125","0.0003","36.9247","0.001","90","","102.808","0.001","90","","10581.7","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","10","","","- C60 H47 Fe N2 P3 Si -","- C60 H47 Fe N2 P3 Si -","- C480 H376 Fe8 N16 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.1207","0.1175","","","0.3787","0.3823","","","","","","3.612","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508043","12.6062","0.0003","17.7714","0.0004","20.2427","0.0004","68.604","0.001","81.731","0.001","87.512","0.001","4178.33","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","11","","","- C92 H59 B F24 Fe N2 P3 Si -","- C92 H59 B F24 Fe N2 P3 Si -","- C184 H118 B2 F48 Fe2 N4 P6 Si2 -","2","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0392","0.0375","","","0.0968","0.0981","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508044","12.8552","0.0012","18.869","0.0018","17.1044","0.0016","90","","92.116","0.002","90","","4146.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","12","","","- C39 H63 Fe N2 P3 Si2 -","- C39 H63 Fe N2 P3 Si2 -","- C156 H252 Fe4 N8 P12 Si8 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.1141","0.0594","","","0.1049","0.1255","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508045","12.9352","0.0005","17.4246","0.0007","19.4686","0.0008","90","","98.894","0.001","90","","4335.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1a","","","- C60 H50 Fe P3 Si -","- C55 H45 Fe P3 Si -","- C220 H180 Fe4 P12 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.0412","0.034","","","0.0867","0.0919","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508046","16.0034","0.0012","17.018","0.0013","26.118","0.002","90","","90","","90","","7113.1","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1b","","","- C37 H57 Fe P3 Si -","- C37 H57 Fe P3 Si -","- C296 H456 Fe8 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.0601","0.0379","","","0.0913","0.107","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508047","26.3222","0.0003","19.5893","0.0002","27.3174","0.0003","90","","90","","90","","14085.8","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","3","","","- C68 H66 B F24 Fe N2 P3 Si -","- C68 H66 B F24 Fe N2 P3 Si -","- C544 H528 B8 F192 Fe8 N16 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.051","0.0413","","","0.1013","0.1071","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508048","16.085","0.003","17.133","0.003","25.58","0.005","90","","90","","90","","7049","2","100","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4b","","","- C36 H54 Fe N2 P3 Si -","- C36 H54 Fe N2 P3 Si -","- C288 H432 Fe8 N16 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.0566","0.037","","","0.0841","0.0957","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508049","17.9312","0.0003","17.9312","0.0003","13.1252","0.0004","90","","90","","120","","3654.73","0.14","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","5","","","- C48 H78 Fe N2 Na O3 P3 Si -","- C48 H78 Fe N2 Na O3 P3 Si -","- C144 H234 Fe3 N6 Na3 O9 P9 Si3 -","3","0.333333","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0245","0.024","","","0.0598","0.06","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508050","10.914","0.002","27.66","0.005","22.517","0.004","90","","90.607","0.006","90","","6797","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","5'","","","- C64 H110 Fe N2 Na O11 P3 Si -","- C64 H110 Fe N2 Na O11 P3 Si -","- C256 H440 Fe4 N8 Na4 O44 P12 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.1271","0.0776","","","0.193","0.2289","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508051","21.1566","0.0004","21.4783","0.0004","22.3299","0.0007","105.835","0.001","115.183","0.001","104.537","0.001","8010.2","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","6a-BArF","","","- C86 H59 B F24 Fe N2 P3 Si -","- C86 H59 B F24 Fe N2 P3 Si -","- C344 H236 B4 F96 Fe4 N8 P12 Si4 -","4","2","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.06","0.0412","","","0.097","0.1035","","","","","","0.925","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508052","13.7155","0.0015","18.226","0.002","21.536","0.002","95.141","0.002","94.656","0.002","95.372","0.002","5316.5","1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","6a-OTf","","","- C55 H48 F3 Fe N2 O3 P2 S Si -","- C59 H50 F3 Fe N2 O4 P3 S Si -","- C236 H200 F12 Fe4 N8 O16 P12 S4 Si4 -","4","2","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.1245","0.0911","","","0.2505","0.2729","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508053","13.1928","0.0003","20.6445","0.0006","15.0686","0.0004","90","","105.754","0.003","90","","3949.9","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-dioxa-4,8-diaza-3-sila-spiro[2.5]oct-5-ene, 3-[1,3-dihydro-1,3- bis(1-methylethyl)- 4,5-dimethyl-2H-imidazol-2-ylidene)]-4,8- Bis-[2,6- bis(1-methylethyl)phenyl]-5-methyl-7-methylene-","","- C40 H60 N4 O2 Si -","- C40 H60 N4 O2 Si -","- C160 H240 N16 O8 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias","From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature.","Nature chemistry","2010","2","7","577","580","10.1038/nchem.666","","","0.71073","MoKα","","0.1211","0.0675","","","0.1376","0.1559","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508054","17.0069","0.0005","13.0836","0.0005","18.0462","0.0006","90","","108.997","0.004","90","","3796.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-dioxa-4,8-diaza-3-sila-spiro[2.5]oct-5-ene, 3-[1,3-dihydro-1,3,4,5-tetramethyl-2H-imidazol- 2-ylidene)]-4,8-Bis-[2,6- bis(1-methylethyl)phenyl]- 5-methyl-7-methylene-","","- C39.5 H56 N4 O2 Si -","- C39.5 H56 N4 O2 Si -","- C158 H224 N16 O8 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias","From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature.","Nature chemistry","2010","2","7","577","580","10.1038/nchem.666","","","0.71073","MoKα","","0.123","0.0615","","","0.1243","0.1435","","","","","","1.014","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508055","12.1047","0.0003","16.482","0.0006","19.5115","0.0006","90","","94.666","0.003","90","","3879.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4-dihydro-1H-[1,3,2]diazasiline 2-oxide, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-2- [1,3-dihydro-4,5-dimethyl-1,3-bis(1-methylethyl)-2H- imidazol-2-ylidene]-4-methyl-6-methylene-","","- C40 H60 N4 O2 Si -","- C40 H60 N4 O2 Si -","- C160 H240 N16 O8 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias","From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature.","Nature chemistry","2010","2","7","577","580","10.1038/nchem.666","","","0.71073","MoKα","","0.1256","0.0667","","","0.119","0.1363","","","","","","1.023","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508056","11.985","0.002","11.542","0.002","15.364","0.003","90","","107.15","0.03","90","","2030.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H72 Mn2 N4 Na2 O -","- C36 H72 Mn2 N4 Na2 O -","- C72 H144 Mn4 N8 Na4 O2 -","2","0.5","","Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran.","Nature chemistry","2010","2","7","588","591","10.1038/nchem.667","","","0.71073","MoKα","","0.0496","0.0314","","","0.0708","0.0788","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508057","8.2736","0.0003","21.4955","0.0008","16.5688","0.0006","90","","90.708","0.004","90","","2946.46","0.19","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H108 Mg2 N8 Na2 -","- C52 H108 Mg2 N8 Na2 -","- C104 H216 Mg4 N16 Na4 -","2","0.5","","Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran.","Nature chemistry","2010","2","7","588","591","10.1038/nchem.667","","","0.71073","MoKα","","0.061","0.0378","","","0.0985","0.1036","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508058","8.2875","0.0003","21.6756","0.0009","16.5068","0.0007","90","","90.465","0.004","90","","2965.1","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52.4 H108 Mn2 N8 Na2 -","- C52.4 H108 Mn2 N8 Na2 -","- C104.8 H216 Mn4 N16 Na4 -","2","0.5","","Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran.","Nature chemistry","2010","2","7","588","591","10.1038/nchem.667","","","0.71073","MoKα","","0.0882","0.0549","","","0.1318","0.1424","","","","","","1.072","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508059","9.489","0.002","26.246","0.006","9.898","0.002","90","","90","","90","","2465.1","0.9","150","2","150","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C21 H20 Cl Mn N4 O9 Re -","- C21 H20 Cl Mn N4 O9 Re -","- C84 H80 Cl4 Mn4 N16 O36 Re4 -","4","0.5","","Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong","Photoreactivity examined through incorporation in metal-organic frameworks.","Nature chemistry","2010","2","8","688","694","10.1038/nchem.681","","","0.71073","MoKα","","0.114","0.0832","","","0.183","0.194","","","","","","1.17","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508060","9.281","0.002","25.932","0.005","9.709","0.002","90","","90","","90","","2336.7","0.8","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C21 H20 Cl Mn2 N4 O9 -","- C21 H20 Cl Mn2 N4 O9 -","- C84 H80 Cl4 Mn8 N16 O36 -","4","0.5","","Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong","Photoreactivity examined through incorporation in metal-organic frameworks.","Nature chemistry","2010","2","8","688","694","10.1038/nchem.681","","","0.72","synchrotron","","0.115","0.0884","","","0.217","0.238","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508061","9.062","0.0018","25.6","0.005","9.618","0.0019","90","","90","","90","","2231.3","0.8","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C21 H20 Cl Mn2 N4 O8 -","- C20 H6 Cl2 Mn2 N4 O8 -","- C80 H24 Cl8 Mn8 N16 O32 -","4","0.5","","Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong","Photoreactivity examined through incorporation in metal-organic frameworks.","Nature chemistry","2010","2","8","688","694","10.1038/nchem.681","","","0.72","synchrotron","","0.227","0.209","","","0.485","0.505","","","","","","1.96","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508062","11.4341","0.0013","12.5791","0.0014","14.7759","0.0014","90","","90","","90","","2125.2","0.4","223.1","","223.1","","","","","","","","","4","P c c m","-P 2 2c","49","","","","- C41 H20 N11 Zn -","- C41 H20 N11 Zn -","- C82 H40 N22 Zn2 -","2","0.25","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0711","","","","0.0814","","","","","","0.852","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508063","11.419","0.004","12.67","0.005","14.752","0.005","90","","90","","90","","2134.3","1.3","223.1","","223.1","","","","","","","","","5","P c c m","-P 2 2c","49","","","","- C41 H16 N10 O Zn -","- C41 H16 N10 O Zn -","- C82 H32 N20 O2 Zn2 -","2","0.25","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0816","","","","0.0955","","","","","","0.917","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508064","11.3749","0.0017","12.7239","0.0019","14.801","0.002","90","","90","","90","","2142.2","0.5","223.1","","223.1","","","","","","","","","4","P c c m","-P 2 2c","49","","","","- C42 H26 N10 Zn -","- C42 H26 N10 Zn -","- C84 H52 N20 Zn2 -","2","0.25","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0672","","","","0.0678","","","","","","0.894","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508065","22.857","0.006","12.614","0.003","14.604","0.004","90","","90","","90","","4210.6","1.9","223.1","","223.1","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H16 F8 N10 Zn -","- C46 H16 F8 N10 Zn -","- C184 H64 F32 N40 Zn4 -","4","0.5","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0678","","","","0.0832","","","","","","0.927","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508066","16.844","0.001","17.393","0.001","20.257","0.001","84.064","0.004","82.693","0.004","87.212","0.004","5851.1","0.6","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C119.36 H115.1 B3 Cu3 F11.9 N20 O16 -","- C119.36 H115.1 B3 Cu3 F11.9 N20 O16 -","- C238.72 H230.2 B6 Cu6 F23.8 N40 O32 -","2","1","","Campbell, Victoria E.; de Hatten, Xavier; Delsuc, Nicolas; Kauffmann, Brice; Huc, Ivan; Nitschke, Jonathan R.","Cascading transformations within a dynamic self-assembled system.","Nature chemistry","2010","2","8","684","687","10.1038/nchem.693","","","1.54178","CuKα","","0.3109","0.1437","","","0.334","0.4307","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508067","23.958","","26.469","","51.79","","90","","94.12","","90","","32757.5","","213","2","213","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C109 H87.66666 B2 Cl1.33333 Cu F8.49333 N16 O17.33333 Zn2 -","- C109 H87.6667 B2 Cl1.33333 Cu F8.49333 N16 O17.3333 Zn2 -","- C1308 H1052 B24 Cl16 Cu12 F101.92 N192 O208 Zn24 -","12","3","","Campbell, Victoria E.; de Hatten, Xavier; Delsuc, Nicolas; Kauffmann, Brice; Huc, Ivan; Nitschke, Jonathan R.","Cascading transformations within a dynamic self-assembled system.","Nature chemistry","2010","2","8","684","687","10.1038/nchem.693","","","1.54178","CuKα","","0.2843","0.1887","","","0.4652","0.5323","","","","","","1.901","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508068","12.297","0.001","9.9506","0.001","29.05","0.003","90","","90","","90","","3554.6","0.6","370","","370","","","","","","","","","4","A m m 2","A 2 -2","38","","","","- C60 Cl6 Li Sb -","- C60 Cl6 Li Sb -","- C240 Cl24 Li4 Sb4 -","4","0.5","","Aoyagi, Shinobu; Nishibori, Eiji; Sawa, Hiroshi; Sugimoto, Kunihisa; Takata, Masaki; Miyata, Yasumitsu; Kitaura, Ryo; Shinohara, Hisanori; Okada, Hiroshi; Sakai, Takeshi; Ono, Yoshihiro; Kawachi, Kazuhiko; Yokoo, Kuniyoshi; Ono, Shoichi; Omote, Kenji; Kasama, Yasuhiko; Ishikawa, Shinsuke; Komuro, Takashi; Tobita, Hiromi","A layered ionic crystal of polar Li@C(60) superatoms.","Nature chemistry","2010","2","8","678","683","10.1038/nchem.698","","","0.3525","synchrotron","","0.0629","0.0469","","","0.1349","0.1451","","","","","","1.021","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508069","28.919","0.0019","25.0844","0.0013","26.4151","0.0013","90","","100.103","0.006","90","","18864.8","1.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H54 F3 Fe N4 O9 S -","- C87 H54 F3 Fe N4 O9 S -","- C696 H432 F24 Fe8 N32 O72 S8 -","8","1","","Zhu, Zhixue; Cardin, Christine J.; Gan, Yu; Colquhoun, Howard M.","Sequence-selective assembly of tweezer molecules on linear templates enables frameshift-reading of sequence information.","Nature chemistry","2010","2","8","653","660","10.1038/nchem.699","","","1.54184","CuKα","","0.2073","0.1539","","","0.4028","0.4331","","","","","","1.34","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508070","28.5423","0.0002","22.2297","0.0001","28.8082","0.0002","90","","112.759","0.001","90","","16855.3","0.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C96 H55 N3 O14 S2 -","- C96 H55 N3 O14 S2 -","- C768 H440 N24 O112 S16 -","8","1","","Zhu, Zhixue; Cardin, Christine J.; Gan, Yu; Colquhoun, Howard M.","Sequence-selective assembly of tweezer molecules on linear templates enables frameshift-reading of sequence information.","Nature chemistry","2010","2","8","653","660","10.1038/nchem.699","","","1.54184","CuKα","","0.1076","0.0935","","","0.2996","0.3175","","","","","","1.265","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508071","17.482","0.004","12.657","0.003","12.915","0.003","90","","90","","90","","2857.7","1.2","120","1","120","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H40 N4 U -","- C32 H25 N4 U -","- C128 H100 N16 U4 -","4","0.5","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.0736","0.0568","","","0.1599","0.1625","","","","","","2.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508072","16.886","0.009","16.953","0.009","20.895","0.011","90","","90","","90","","5982","5","141","1","141","1","","","","","","","","5","P c 21 b","P -2bc -2c","29","","","","- C26 H48 N4 Si2 U -","- C26 H48 N4 Si2 U -","- C208 H384 N32 Si16 U8 -","8","2","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.1072","0.0658","","","0.1512","0.1785","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508073","9.5877","0.0007","10.3919","0.0008","18.0297","0.0014","75.277","0.001","88.379","0.001","63.624","0.001","1549.1","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 N4 Si2 U -","- C28 H52 N4 Si2 U -","- C56 H104 N8 Si4 U2 -","2","1","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.0215","0.0198","","","0.053","0.0539","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508074","31.4069","0.0019","31.4069","0.0019","23.029","0.003","90","","90","","90","","22716","4","140","1","140","1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H48 N2 Si2 U -","- C26 H48 N2 Si2 U -","- C832 H1536 N64 Si64 U32 -","32","2","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.0478","0.0294","","","0.067","0.0737","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508076","13.6355","0.001","25.5997","0.0018","14.2579","0.001","90","","100.183","0.001","90","","4898.5","0.6","140","1","140","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 B F15 N4 Si2 U -","- C46 H52 B F15 N4 Si2 U -","- C184 H208 B4 F60 N16 Si8 U4 -","4","1","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.0431","0.0282","","","0.0561","0.0611","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508078","41.437","0.0012","41.437","0.0012","7.633","0.0004","90","","90","","120","","11350.2","0.8","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","compound1","tris(di-η5-cyclopentadienyl-ruthenyl)samarium","","- C30 H30 Re3 Sm -","- C30 H30 Re3 Sm -","- C540 H540 Re54 Sm18 -","18","1","","Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett","Molecules containing rare-earth atoms solely bonded by transition metals.","Nature chemistry","2010","2","9","741","744","10.1038/nchem.718","","","0.71069","MoKα","","0.0827","0.0489","","","0.0849","0.0927","","","","","","1.013","","","","has coordinates","210196","2020-10-21","18:00:00",""
"1508080","41.12","0.0015","41.12","0.0015","7.648","0.0004","90","","90","","120","","11199.1","0.8","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","compound2","tris(di-η5-cyclopentadienyl-ruthenyl)lutetium","","- C30 H30 Lu Re3 -","- C30 H30 Lu Re3 -","- C540 H540 Lu18 Re54 -","18","1","","Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett","Molecules containing rare-earth atoms solely bonded by transition metals.","Nature chemistry","2010","2","9","741","744","10.1038/nchem.718","","","0.71069","MoKα","","0.066","0.0403","","","0.0833","0.0886","","","","","","0.899","","","","has coordinates","210196","2020-10-21","18:00:00",""
"1508081","41.647","0.0014","41.647","0.0014","7.612","0.0004","90","","90","","120","","11434","0.8","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","compound3","tris(di-η5-cyclopentadienyl-ruthenyl)lanthanum","","- C30 H30 La Re3 -","- C30 H30 La Re3 -","- C540 H540 La18 Re54 -","18","1","","Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett","Molecules containing rare-earth atoms solely bonded by transition metals.","Nature chemistry","2010","2","9","741","744","10.1038/nchem.718","","","0.71073","MoKα","","0.0798","0.0417","","","0.0732","0.0809","","","","","","0.976","","","","has coordinates","210196","2020-10-21","18:00:00",""
"1508082","12.242","0.0006","21.612","0.0011","17.762","0.0009","90","","94.794","0.004","90","","4682.9","0.4","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound4","bis[(di-η5-cyclopentadienyl-ruthenyl)(η5-cyclopentadienyl-η5-μ3-cyclopentadiendiyl-ruthenyl)(tetrahydrofuran)lanthanum]","","- C55 H62 La2 O2 Re4 -","- C55 H62 La2 O2 Re4 -","- C220 H248 La8 O8 Re16 -","4","1","","Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett","Molecules containing rare-earth atoms solely bonded by transition metals.","Nature chemistry","2010","2","9","741","744","10.1038/nchem.718","","","0.71069","MoKα","","0.078","0.0469","","","0.0868","0.0949","","","","","","0.952","","","","has coordinates,has disorder","210196","2020-10-21","18:00:00",""
"1508083","13.5724","0.0002","19.5079","0.0003","7.0896","0.0001","90","","98.542","0.001","90","","1856.28","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N2 O4 -","- C20 H18 Cl N2 O4 -","- C80 H72 Cl4 N8 O16 -","4","1","","Raup, Dustin E. A.; Cardinal-David, Benoit; Holte, Dane; Scheidt, Karl A.","Cooperative catalysis by carbenes and Lewis acids in a highly stereoselective route to gamma-lactams.","Nature chemistry","2010","2","9","766","771","10.1038/nchem.727","","","0.71073","MoKα","","0.0777","0.0399","","","0.0996","0.1327","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508084","10.2485","0.0005","11.2076","0.0004","18.7161","0.0007","90","","90","","90","","2149.75","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C100 H84 Br4 N8 O12 -","4","1","","Antonchick, Andrey P.; Gerding-Reimers, Claas; Catarinella, Mario; Schürmann, Markus; Preut, Hans; Ziegler, Slava; Rauh, Daniel; Waldmann, Herbert","Highly enantioselective synthesis and cellular evaluation of spirooxindoles inspired by natural products.","Nature chemistry","2010","2","9","735","740","10.1038/nchem.730","","","0.71073","MoKα","","0.0296","0.0248","","","0.0554","0.056","","","","","","0.972","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508085","12.3656","0.0011","16.4492","0.0013","19.9866","0.0017","90","","94.337","0.004","90","","4053.7","0.6","293","2","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane)(oxo)iron(IV) tris(trifluoromethanesulfonate)(hydroxo)scandium(III) acetonitrile solvate","","- C20 H36 F12 Fe N5 O14 S4 Sc -","- C20 H36 F12 Fe N5 O14 S4 Sc -","- C80 H144 F48 Fe4 N20 O56 S16 Sc4 -","4","1","","Fukuzumi, Shunichi; Morimoto, Yuma; Kotani, Hiroaki; Naumov, Pance; Lee, Yong-Min; Nam, Wonwoo","Crystal structure of a metal ion-bound oxoiron(IV) complex and implications for biological electron transfer.","Nature chemistry","2010","2","9","756","759","10.1038/nchem.731","","","0.71073","MoKα","","0.0801","0.059","","","0.167","0.1862","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508086","15.7125","0.0003","15.7125","0.0003","47.3137","0.0014","90","","90","","90","","11680.9","0.5","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C38 H8 Cu2 N2 O12 -","- C38 H8 Cu2 N2 O12 -","- C304 H64 Cu16 N16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","0.71073","MoKα","","0.0501","0.045","","","0.1267","0.1299","","","","","","0.975","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508087","21.4169","0.0003","21.4169","0.0003","57.6768","0.0011","90","","90","","90","","26455.4","0.7","223","2","223","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C36 H26 Cu2 O12 -","- C36 H26 Cu2 O12 -","- C288 H208 Cu16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","1.54178","CuKα","","0.0716","0.0519","","","0.1163","0.1233","","","","","","0.856","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508088","21.049","0.005","21.049","0.005","57.878","0.013","90","","90","","90","","25643","10","223","2","223","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C32 H16 Cu2 O12 -","- C32 H16 Cu2 O12 -","- C256 H128 Cu16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","0.71073","MoKα","","0.1121","0.0648","","","0.1596","0.1719","","","","","","0.849","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508089","23.849","0.006","23.849","0.006","73.11","0.02","90","","90","","90","","41583","19","223","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C48 H26 Cu2 O12 -","- C48 H26 Cu2 O12 -","- C384 H208 Cu16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","1.54178","CuKα","","0.0851","0.0521","","","0.1261","0.1363","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508090","30.9491","0.0013","30.9491","0.0013","80.725","0.003","90","","90","","90","","77322","5","296","2","296","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C60 H32 Cu2 O12 -","- C60 H32 Cu2 O12 -","- C480 H256 Cu16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","1.54178","CuKα","","0.162","0.1249","","","0.3043","0.3226","","","","","","1.323","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508091","30.7816","0.0018","30.7816","0.0018","81.603","0.005","90","","90","","90","","77319","8","296","2","296","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C56 H32 Cu2 O12 -","- C56 H32 Cu2 O12 -","- C448 H256 Cu16 O96 -","8","0.5","","Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin","A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.","Nature chemistry","2010","2","10","838","846","10.1038/nchem.738","","","1.54178","CuKα","","0.1506","0.0923","","","0.2295","0.2515","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508092","20.043","0.003","20.043","0.003","55.912","0.011","90","","90","","120","","19452","6","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","cage3a-catenane","","","- C115 H154 N24 O10 -","- C114.98 H127.92 N24 O9.98 -","- C689.88 H767.52 N144 O59.88 -","6","0.166667","","Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I.","Triply interlocked covalent organic cages.","Nature chemistry","2010","2","9","750","755","10.1038/nchem.739","","","0.71073","MoKα","","0.1655","0.1286","","","0.3111","0.3396","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508093","16.861","0.003","32.059","0.006","29.48","0.006","90","","90","","90","","15935","5","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","cage3b-catenane","","","- C73.5 H87 Cl15 N12 -","- C68.5 H77 Cl5 N12 -","- C548 H616 Cl40 N96 -","8","1","","Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I.","Triply interlocked covalent organic cages.","Nature chemistry","2010","2","9","750","755","10.1038/nchem.739","","","0.71073","MoKα","","0.1267","0.1006","","","0.2551","0.2815","","","","","","1.001","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1508094","25.511","0.009","16.802","0.006","24.782","0.008","90","","101.733","0.005","90","","10401","6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","cage3c-catenane-xylene","","","- C120 H124 N24 -","- C120 H126 N24 -","- C480 H504 N96 -","4","0.5","","Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I.","Triply interlocked covalent organic cages.","Nature chemistry","2010","2","9","750","755","10.1038/nchem.739","","","0.71073","MoKα","","0.0951","0.0591","","","0.1395","0.1574","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508095","10.8757","0.0017","14.151","0.002","26.065","0.004","92.55","0.003","99.061","0.003","104.57","0.003","3819.1","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","cage4c-mesitylene","","","- C84 H96 N12 -","- C84 H96 N12 -","- C168 H192 N24 -","2","1","","Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I.","Triply interlocked covalent organic cages.","Nature chemistry","2010","2","9","750","755","10.1038/nchem.739","","","0.71073","MoKα","","0.1964","0.1063","","","0.175","0.1982","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508096","37.461","0.005","37.461","0.005","37.461","0.005","90","","90","","90","","52570","12","90","2","90","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C26 H16 Co N10 S2 -","- C26 H16 Co N10 S2 -","- C624 H384 Co24 N240 S48 -","24","0.125","","Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto","Networked molecular cages as crystalline sponges for fullerenes and other guests.","Nature chemistry","2010","2","9","780","783","10.1038/nchem.742","","","0.71073","MoKα","","0.1286","0.0998","","","0.283","0.2978","","","","","","2.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508097","26.405","0.004","26.405","0.004","36.631","0.005","90","","90","","90","","25540","6","90","2","90","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C102 H64 Co3 N30 S22 -","- C102 H64 Co3 N30 S22 -","- C408 H256 Co12 N120 S88 -","4","0.25","","Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto","Networked molecular cages as crystalline sponges for fullerenes and other guests.","Nature chemistry","2010","2","9","780","783","10.1038/nchem.742","","","0.71073","MoKα","","0.1476","0.0853","","","0.2257","0.2604","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508098","74.972","0.002","74.972","0.002","74.972","0.002","90","","90","","90","","421403","19","90","2","90","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C80 H64.5 Co N14.5 S2 -","- C80 H64.5 Co N14.5 S2 -","- C15360 H12384 Co192 N2784 S384 -","192","1","","Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto","Networked molecular cages as crystalline sponges for fullerenes and other guests.","Nature chemistry","2010","2","9","780","783","10.1038/nchem.742","","","0.71073","MoKα","","0.1916","0.1479","","","0.3883","0.4544","","","","","","1.945","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508099","27.886","0.004","27.886","0.004","30.086","0.004","90","","90","","90","","23396","6","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C132 H160 N48 O36 Pd6 S16 -","- C132 H160 N48 O36 Pd6 S16 -","- C528 H640 N192 O144 Pd24 S64 -","4","0.25","","Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto","Networked molecular cages as crystalline sponges for fullerenes and other guests.","Nature chemistry","2010","2","9","780","783","10.1038/nchem.742","","","0.71073","MoKα","","0.0633","0.0535","","","0.138","0.1457","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508100","28.643","0.005","14.21","0.005","24.502","0.005","90","","99.38","0.005","90","","9839","4","160","2","160","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H64 F24 N4 P4 S24 -","- C84 H64 F24 N4 P4 S24 -","- C336 H256 F96 N16 P16 S96 -","4","1","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","0.71069","MoKα","","0.1467","0.0785","","","0.1988","0.2861","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508101","27.049","0.002","16.3551","0.0018","29.944","0.003","90","","92.265","0.003","90","","13237","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C121 H135.5 F24 N6.5 O20 P4 S8 -","- C121 H135.5 F24 N6.5 O20 P4 S8 -","- C484 H542 F96 N26 O80 P16 S32 -","4","1","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","1.54178","CuKα","","0.1482","0.1263","","","0.349","0.373","","","","","","1.139","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508102","11.144","0.004","14.355","0.005","19.592","0.008","86.784","0.013","87.155","0.015","75.382","0.013","3026","2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H117 F24 N7 O16 P4 S8 -","- C106 H117 F24 N7 O16 P4 S8 -","- C106 H117 F24 N7 O16 P4 S8 -","1","0.5","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","0.71073","MoKα","","0.2382","0.1986","","","0.4989","0.5256","","","","","","1.804","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508103","13.4168","0.001","37.385","0.003","27.8719","0.0017","90","","90","","90","","13980.2","1.8","100","2","100","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C100 H108 Cl F24 N4 O20 P4 S8 -","- C100 H108 Cl F24 N4 O20 P4 S8 -","- C400 H432 Cl4 F96 N16 O80 P16 S32 -","4","0.5","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","1.54178","CuKα","","0.1179","0.0888","","","0.2463","0.2673","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508104","14.1826","0.0005","21.4251","0.0008","22.9043","0.0008","95.326","0.003","95.544","0.002","92.596","0.002","6887","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C109 H133 Cl4 F12 N9 O43 P2 S8 -","- C109 H133 Cl4 F12 N9 O43 P2 S8 -","- C218 H266 Cl8 F24 N18 O86 P4 S16 -","2","1","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","1.54178","CuKα","","0.1565","0.0944","","","0.2552","0.2929","","","","","","0.968","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508105","35.768","0.007","10.242","0.002","18.497","0.004","90","","96.92","0.03","90","","6727","2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Al I2 N3 -","- C31 H48 Al I2 N3 -","- C248 H384 Al8 I16 N24 -","8","2","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0777","0.0414","","","0.0935","0.1089","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508106","10.045","0.002","20.189","0.004","15.403","0.003","90","","97.87","0.03","90","","3094.3","1.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H96 Al2 I2 N6 -","- C62 H96 Al2 I2 N6 -","- C124 H192 Al4 I4 N12 -","2","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0731","0.0399","","","0.0835","0.096","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508107","11.992","0.002","13.192","0.003","15.969","0.003","111.76","0.03","93.91","0.03","114.89","0.03","2051.6","1.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H120 Al2 I2 N6 -","- C86 H120 Al2 I2 N6 -","- C86 H120 Al2 I2 N6 -","1","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.052","0.038","","","0.0924","0.0999","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508108","13.475","0.003","8.2292","0.0016","19.771","0.004","90","","101.7","0.03","90","","2146.8","0.8","123","2","123","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H60 Mg2 N4 -","- C46 H60 Mg2 N4 -","- C92 H120 Mg4 N8 -","2","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0671","0.0444","","","0.1129","0.1252","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508109","13.3869","0.0003","12.1848","0.0002","15.7738","0.0002","90","","97.262","0.001","90","","2552.33","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Al2 N4 -","- C54 H76 Al2 N4 -","- C108 H152 Al4 N8 -","2","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0721","0.049","","","0.1132","0.125","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508110","12.145","0.002","28.154","0.006","13.801","0.003","90","","99.86","0.03","90","","4649.3","1.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 Mg2 N4 O Si -","- C48 H66 Mg2 N4 O Si -","- C192 H264 Mg8 N16 O4 Si4 -","4","1","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.1689","0.0652","","","0.124","0.1558","","","","","","0.979","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508111","19.074","0.004","21.504","0.004","14.858","0.003","90","","90","","90","","6094","2","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C31 H50 Al N3 -","- C31 H50 Al N3 -","- C248 H400 Al8 N24 -","8","1","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0939","0.0588","","","0.1294","0.1467","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508112","10.606","0.0007","11.9107","0.0007","15.3949","0.001","71.643","0.002","77.501","0.002","67.68","0.002","1697.09","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H112 Al2 N4 -","- C70 H112 Al2 N4 -","- C70 H112 Al2 N4 -","1","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.087","0.0583","","","0.1402","0.1566","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508113","19.2949","0.0012","19.4205","0.0013","19.6592","0.0015","82.645","0.003","67.092","0.003","79.72","0.003","6662.8","0.8","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H93 Al2 N4 -","- C73 H93 Al2 N4 -","- C292 H372 Al8 N16 -","4","2","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.1515","0.0946","","","0.2241","0.2685","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508114","12.7841","0.0003","14.7611","0.0003","17.1527","0.0004","90","","91.847","0.001","90","","3235.16","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H100 Al2 N4 -","- C70 H100 Al2 N4 -","- C140 H200 Al4 N8 -","2","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0564","0.0532","","","0.1224","0.1247","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508115","11.729","0.002","15.039","0.003","17.886","0.004","90","","104.89","0.03","90","","3049","1.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H98 Al2 N6 -","- C62 H98 Al2 N6 -","- C124 H196 Al4 N12 -","2","0.5","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0835","0.0547","","","0.1356","0.1515","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508117","11.98","0.006","6.098","0.003","23.525","0.01","90","","93.43","0.04","90","","1715.5","1.4","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","1","","Ito, Hajime; Kunii, Shun; Sawamura, Masaya","Direct enantio-convergent transformation of racemic substrates without racemization or symmetrization.","Nature chemistry","2010","2","11","972","976","10.1038/nchem.801","","","0.71075","MoKα","","","0.0436","","","","0.1055","","","","","","0.835","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508119","24.3386","0.0018","24.4267","0.0018","25.442","0.003","112.19","0.001","115.547","0.001","98.071","0.001","11774","1.9","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C192 H96 Cu24 O120 -","- C192 H96 Cu24 O120 -","- C192 H96 Cu24 O120 -","1","0.5","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1092","0.0638","","","0.1315","0.1389","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508120","6.5901","0.0011","10.8797","0.0019","12.487","0.002","93.149","0.002","103.646","0.002","94.092","0.002","865.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cu2 N4 O18 -","- C32 H26 Cu2 N4 O18 -","- C32 H26 Cu2 N4 O18 -","1","0.5","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.0724","0.049","","","0.0936","0.1019","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508121","29.296","0.009","29.296","0.009","41.22","0.02","90","","90","","90","","35377","2","110","2","110","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C288 H288 Cu24 O120 -","- C288 H288 Cu24 O120 -","- C576 H576 Cu48 O240 -","2","0.0625","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1724","0.0769","","","0.1518","0.1686","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508122","25.8693","0.001","25.8693","0.001","39.125","0.003","90","","90","","90","","26183","2","110","2","110","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C192 H96 Cu24 O144 -","- C192 H96 Cu24 O144 -","- C384 H192 Cu48 O288 -","2","0.125","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.0645","0.0445","","","0.1107","0.1162","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508123","29.044","0.007","29.044","0.007","41.72","0.02","90","","90","","90","","35193","2","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C192 H72 Cu24 O192 S24 -","- C192 H72 Cu24 O192 S24 -","- C384 H144 Cu48 O384 S48 -","2","0.125","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1378","0.0733","","","0.1397","0.1518","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508124","26.687","0.017","26.714","0.017","28.012","0.018","67.565","0.008","69.257","0.008","76.221","0.009","17139","19","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C168 H120 Cu12 O60 -","- C168 H120 Cu12 O60 -","- C336 H240 Cu24 O120 -","2","1","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1791","0.0712","","","0.1306","0.1409","","","","","","0.911","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508125","28.083","0.003","59.645","0.006","82.288","0.008","90","","90","","90","","137833","2","110","2","110","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C288 H216 Cu24 O120 -","- C288 H216 Cu24 O120 -","- C2304 H1728 Cu192 O960 -","8","0.25","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1654","0.0744","","","0.158","0.1729","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508126","35.49","0.03","32.46","0.02","35.61","0.03","90","","92.42","0.01","90","","40986","6","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C192 H98 Cu24 O128 -","- C192 H98 Cu24 O128 -","- C768 H392 Cu96 O512 -","4","0.5","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1095","0.0648","","","0.1527","0.1644","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508127","18.0347","0.0012","31.135","0.002","27.1691","0.0018","90","","105.587","0.001","90","","14694.7","1.7","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H76 Cu4 N4 O20 -","- C108 H76 Cu4 N4 O20 -","- C432 H304 Cu16 N16 O80 -","4","1","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1357","0.0979","","","0.2051","0.217","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508128","20.014","0.006","20.977","0.007","22.605","0.007","117.518","0.004","92.93","0.004","110.47","0.004","7622","4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H84 Cu12 N12 O60 -","- C168 H84 Cu12 N12 O60 -","- C168 H84 Cu12 N12 O60 -","1","0.5","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1527","0.0686","","","0.1221","0.135","","","","","","0.861","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508129","10.5799","0.001","10.7732","0.001","19.6616","0.0018","84.7319","0.0014","75.3405","0.0014","87.4321","0.0014","2158.4","0.3","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C98 H126 -","- C98 H126 -","- C98 H126 -","1","0.5","","Chalifoux, Wesley A.; Tykwinski, Rik R.","Synthesis of polyynes to model the sp-carbon allotrope carbyne.","Nature chemistry","2010","2","11","967","971","10.1038/nchem.828","","","0.71073","MoKα","","0.1082","0.0538","","","0.1268","0.1535","","","","","","1.016","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508130","10.2575","0.0007","14.6634","0.0011","21.9595","0.0016","76.52","0.001","89.555","0.001","86.272","0.001","3205","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H98 Si -","- C64 H84 Si -","- C128 H168 Si2 -","2","1","","Chalifoux, Wesley A.; Tykwinski, Rik R.","Synthesis of polyynes to model the sp-carbon allotrope carbyne.","Nature chemistry","2010","2","11","967","971","10.1038/nchem.828","","","0.71073","MoKα","","0.107","0.0635","","","0.1675","0.1884","","","","","","1.009","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508131","59.872","0.002","59.872","0.002","59.872","0.002","90","","90","","90","","214621","12","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C480 H192 Cu24 O120 -","- C480 H192 Cu24 O120 -","- C1920 H768 Cu96 O480 -","4","0.0208333","","Farha, Omar K.; Yazaydın, A Özgür; Eryazici, Ibrahim; Malliakas, Christos D.; Hauser, Brad G.; Kanatzidis, Mercouri G.; Nguyen, SonBinh T; Snurr, Randall Q.; Hupp, Joseph T.","De novo synthesis of a metal-organic framework material featuring ultrahigh surface area and gas storage capacities.","Nature chemistry","2010","2","11","944","948","10.1038/nchem.834","","","0.71073","MoKα","","0.2518","0.138","","","0.2132","0.2692","","","","","","1.244","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508132","15.3549","0.0018","12.2755","0.0014","17.3029","0.0014","90","","123.819","0.007","90","","2709.6","0.5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","","","- C34 H33 B Te -","- C34 H33 B Te -","- C136 H132 B4 Te4 -","4","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.0281","0.0257","","","0.0693","0.0703","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508133","9.0099","0.0009","24.019","0.002","13.208","0.0012","90","","93.774","0.001","90","","2852.1","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","","","- C35 H36 B F Te -","- C35 H36 B F Te -","- C140 H144 B4 F4 Te4 -","4","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.051","0.0345","","","0.0788","0.0835","","","","","","0.93","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508134","8.4011","0.0016","18.828","0.004","21.449","0.004","90","","97.903","0.002","90","","3360.5","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","none","","","- C36 H36 B F3 O3 S Te -","- C36 H36 B F3 O3 S Te -","- C144 H144 B4 F12 O12 S4 Te4 -","4","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.0879","0.0588","","","0.1637","0.1766","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508136","15.337","0.002","12.0381","0.0016","15.458","0.002","90","","111.115","0.001","90","","2662.4","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","","","- C34 H33 B S -","- C34 H33 B S -","- C136 H132 B4 S4 -","4","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.0762","0.0669","","","0.1789","0.1919","","","","","","1.104","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508138","10.757","0.002","8.8417","0.0019","30.186","0.006","90","","94.8","0.003","90","","2860.9","1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","","","- C35 H36 B F S -","- C35 H36 B F S -","- C140 H144 B4 F4 S4 -","4","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.0574","0.0448","","","0.1378","0.1484","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508139","8.632","0.005","10.482","0.006","18.755","0.01","90.939","0.007","102.507","0.006","100.441","0.006","1626.5","1.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","None","","","- C36 H36 B F3 O3 S2 -","- C36 H36 B F3 O3 S2 -","- C72 H72 B2 F6 O6 S4 -","2","1","","Zhao, Haiyan; Gabbaï, François P","A bidentate Lewis acid with a telluronium ion as an anion-binding site.","Nature chemistry","2010","2","11","984","990","10.1038/nchem.838","","","0.71073","MoKα","","0.091","0.0582","","","0.1386","0.1502","","","","","","0.907","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508140","10.2338","0.0007","6.605","0.0005","11.9985","0.0008","90","","94.388","0.004","90","","808.65","0.1","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","","Denmark, Scott E.; Wilson, Tyler W.","N-silyl oxyketene imines are underused yet highly versatile reagents for catalytic asymmetric synthesis.","Nature chemistry","2010","2","11","937","943","10.1038/nchem.857","","","1.54178","CuKα","","0.0266","0.0263","","","0.0656","0.0658","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508141","19.59","0.004","22.495","0.005","20.59","0.004","90","","105.26","0.03","90","","8754","3","163","2","163","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","ndsw114xs","nds114xs","","- C72 H82 Au2 Cl2 O4 P2 -","- C72 H82 Au2 Cl2 O4 P2 -","- C288 H328 Au8 Cl8 O16 P8 -","4","0.5","","de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander","A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts.","Nature chemistry","2010","2","12","1062","1068","10.1038/nchem.860","","","0.71073","MoKα","","0.039","0.0281","","","0.0715","0.0739","","","","","","1.061","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1508142","14.6239","0.001","25.8803","0.0018","21.5065","0.0015","90","","108.762","0.001","90","","7707.1","0.9","136","2","136","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ns173a","ns173a","","- C76 H90 Au2 Cl2 O4 P2 -","- C76 H90 Au2 Cl2 O4 P2 -","- C304 H360 Au8 Cl8 O16 P8 -","4","1","","de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander","A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts.","Nature chemistry","2010","2","12","1062","1068","10.1038/nchem.860","","","0.71073","MoKα","","0.0788","0.0487","","","0.088","0.0971","","","","","","0.934","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1508143","19.695","0.01","14.974","0.007","20.876","0.01","90","","96.29","0.006","90","","6120","5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","150-a","katz01","","- C66 H85 Au Cl O4 P -","- C66 H85 Au Cl O4 P -","- C264 H340 Au4 Cl4 O16 P4 -","4","1","","de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander","A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts.","Nature chemistry","2010","2","12","1062","1068","10.1038/nchem.860","","","0.71073","MoKα","","0.1014","0.049","","","0.0991","0.1181","","","","","","1.021","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1508144","13.9923","0.0005","15.1673","0.0005","17.3281","0.0006","83.207","0.001","81.568","0.001","63.915","0.001","3261.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H90 O4 P2 -","- C76 H90 O4 P2 -","- C152 H180 O8 P4 -","2","1","","de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander","A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts.","Nature chemistry","2010","2","12","1062","1068","10.1038/nchem.860","","","1.54178","CuKα","","0.0703","0.0582","","","0.1637","0.1716","","","","","","1.541","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508148","12.9187","0.0006","16.9057","0.0007","17.0274","0.0007","107.186","0.003","96.271","0.003","106.235","0.003","3335.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H97 Li N8 O9 U -","- C70 H97 Li N8 O9 U -","- C140 H194 Li2 N16 O18 U2 -","2","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B.","Uranyl oxo activation and functionalization by metal cation coordination.","Nature chemistry","2010","2","12","1056","1061","10.1038/nchem.904","","","0.71073","MoKα","","0.0628","0.0494","","","0.1119","0.1179","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508149","14.0928","0.0003","24.2786","0.0003","22.7601","0.0004","90","","90.769","0.001","90","","7786.7","0.2","100","","100","","","","","","","","A. Pecharman, reaction afp206","6","C 1 c 1","C -2yc","9","","","","- C87 H86 Li2 N17 O2 U -","- C87 H86 Li2 N17 O2 U -","- C348 H344 Li8 N68 O8 U4 -","4","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B.","Uranyl oxo activation and functionalization by metal cation coordination.","Nature chemistry","2010","2","12","1056","1061","10.1038/nchem.904","","","1.54184","CuKα","","0.0361","0.0327","","","0.0819","0.0836","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508150","15.0681","0.0004","15.9581","0.0004","19.1549","0.0005","94.953","0.001","90.628","0.001","114.436","0.001","4172.18","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H90 Li3 N18 O2 U -","- C92 H90 Li3 N18 O2 U -","- C184 H180 Li6 N36 O4 U2 -","2","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B.","Uranyl oxo activation and functionalization by metal cation coordination.","Nature chemistry","2010","2","12","1056","1061","10.1038/nchem.904","","","0.71073","MoKα","","0.0552","0.0442","","","0.0853","0.0888","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508151","12.2088","0.0003","16.2176","0.0005","20.9697","0.0006","75.391","0.002","86.593","0.002","80.083","0.002","3957.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H114 Li4 N9 O9 Si2 U -","- C76 H114 Li4 N9 O9 Si2 U -","- C152 H228 Li8 N18 O18 Si4 U2 -","2","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B.","Uranyl oxo activation and functionalization by metal cation coordination.","Nature chemistry","2010","2","12","1056","1061","10.1038/nchem.904","","","0.71073","MoKα","","0.0396","0.0349","","","","0.0887","","","","","","1.072","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508373","6.7224","0.0003","10.7473","0.0004","11.9604","0.0005","113.212","0.004","90.579","0.003","99.815","0.003","779.68","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H15 N11 O8 -","- C8 H15 N11 O8 -","- C16 H30 N22 O16 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Plenikowski, Georg; Edelmann, Frank T.","Molecular and Crystal Structure of a New High Energy Density Material: Aminoguanidinium-styphnate, [H2NNHC(NH2)2]2[C6HO2(NO2)3]","Crystals","2012","2","1","34","42","10.3390/cryst2010034","","","0.71073","MoKα","","0.0627","0.0398","","","0.0916","0.0964","","","","","","0.862","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508374","8.4007","0.0002","16.4716","0.0004","12.4876","0.0003","90","","90.948","0.001","90","","1727.71","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 4-(2-tert-butoxy-2-oxoethyl)piperizine-1-carboxylate","","- C15 H28 N2 O4 -","- C15 H28 N2 O4 -","- C60 H112 N8 O16 -","4","1","","Mamat, Constantin; Flemming, Anke; Köckerling, Martin","Synthesis and Molecular Structure of tert-Butyl 4-(2-tert-butoxy-2-oxoethyl)piperazine-1-carboxylate","Crystals","2012","2","1","90","95","10.3390/cryst2010090","","","0.71073","MoKα","","0.0801","0.0629","","","0.1791","0.1969","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508375","9.7945","0.0007","10.1945","0.0007","21.306","0.001","90","","90","","90","","2127.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2:5,6-Di-O-isopropylidene-3-O-tosyl-α-D-glucofuranose","","- C19 H26 O8 S -","- C19 H26 O8 S -","- C76 H104 O32 S4 -","4","1","","Mamat, Constantin; Peppel, Tim; Köckerling, Martin","The Molecular Structure of 1,2:5,6-Di-O-isopropylidene-3-O-toluenesulfonyl-α-D-glucofuranose","Crystals","2012","2","1","105","109","10.3390/cryst2010105","","","0.71073","MoKα","","0.066","0.0509","","","0.1228","0.1346","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508376","6.2717","0.0013","12.841","0.003","25.693","0.005","90","","90","","90","","2069.2","0.8","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C10 H24 Cl5 Fe N2 O4 -","- C10 H24 Cl5 Fe N2 O4 -","- C40 H96 Cl20 Fe4 N8 O16 -","4","0.5","","Bäcker, Tobias; Mudring, Anja-Verena","Betaine Chloride-Betaine Tetrachloridoferrate(III). An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept","Crystals","2012","2","1","110","117","10.3390/cryst2010110","","","0.71073","MoKα","","0.0813","0.0393","","","0.0752","0.0818","","","","","","0.8","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508377","24.375","0.001","30.163","0.002","13.653","0.001","90","","90","","90","","10038","1.1","233","2","233","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C6 H10 B F4 N5 O2 S -","- C6 H10 B F4 N5 O2 S -","- C192 H320 B32 F128 N160 O64 S32 -","32","2","","Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig","Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent","Crystals","2012","2","1","118","126","10.3390/cryst2010118","","","0.71073","MoKα","","0.0818","0.0538","","","0.1316","0.1469","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508378","8.0815","0.0007","10.0732","0.0009","10.7291","0.001","90","","100.383","0.007","90","","859.12","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N5 O2 S -","- C5 H7 N5 O2 S -","- C20 H28 N20 O8 S4 -","4","1","","Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig","Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent","Crystals","2012","2","1","118","126","10.3390/cryst2010118","","","0.71073","MoKα","","0.0536","0.0377","","","0.0893","0.0943","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508379","6.8994","0.0001","9.8052","0.0002","11.1525","0.0002","71.729","0.001","79.436","0.001","74.349","0.001","685.83","0.02","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","2-(4-methoxybenzyl)-4-nitro-2H-indazole","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C30 H26 N6 O6 -","2","1","","Mamat, Constantin; Köckerling, Martin","The Synthesis and Molecular Structure of 2-(4-Methoxybenzyl)-4-nitro-2H-indazole","Crystals","2012","2","2","176","181","10.3390/cryst2020176","","","0.71073","MoKα","","0.058","0.0428","","","0.1238","0.1352","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508380","9.859","0.002","13.683","0.004","9.664","0.002","105.04","0.02","93.651","0.018","110.735","0.02","1159.9","0.5","295.1","","295.1","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 N2 O6 P2 S2 -","- C54 H44 N2 O6 P2 S2 -","- C54 H44 N2 O6 P2 S2 -","1","0.5","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S.","A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine","Crystals","2012","2","2","182","192","10.3390/cryst2020182","","","0.71069","MoKα","","","0.0412","","","","0.0546","","","","","","1.161","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508381","6.742","0.003","15.518","0.007","18.034","0.007","74.29","0.03","82.16","0.04","80.36","0.03","1782.4","1.4","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N2 O9 S34 -","- C46 H42 N2 O9 S34 -","- C46 H42 N2 O9 S34 -","1","0.5","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S.","A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine","Crystals","2012","2","2","182","192","10.3390/cryst2020182","","","0.71075","MoKα","","","0.0806","","","","0.0565","","","","","","1.1552","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508382","7.8124","0.0014","6.6564","0.0011","30.444","0.006","90","","96.062","0.002","90","","1574.3","0.5","93","","93","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H16 Br0.79 Cl1.21 Cu S16 -","- C20 H16 Br0.794 Cl1.206 Cu S16 -","- C40 H32 Br1.588 Cl2.412 Cu2 S32 -","2","0.5","","Kubo, Kazuya; Yamashita, Masahiro","New BEDT-TTF Radical Cation Salt with Mixed Anions: α'-[BEDT-TTF]2[CuBr2]0.4[CuCl2]0.6","Crystals","2012","2","2","284","293","10.3390/cryst2020284","","","0.71073","MoKα","","0.0417","0.0349","","","0.0747","0.0803","","","","","","1.188","","","","has coordinates,has disorder","210192","2020-10-21","18:00:00",""
"1508383","11.8152","0.0016","10.1","0.002","35.579","0.006","90","","98.111","0.013","90","","4203.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H27 Cl2 N3 S12 Zn -","- C35 H27 Cl2 N3 S12 Zn -","- C140 H108 Cl8 N12 S48 Zn4 -","4","0.5","","Nita, Gabriela; Branzea, Diana; Pop, Flavia; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Electroactive Bisiminopyridine Ligands: Synthesis and Complexation Studies","Crystals","2012","2","2","338","348","10.3390/cryst2020338","","","0.71073","MoKα","","0.0968","0.0597","","","0.1051","0.1227","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508384","21.4373","0.0015","6.1623","0.0004","23.2775","0.0016","90","","97.597","0.004","90","","3048","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 B0.5 N O -","- C20 H20 B0.5 N O -","- C160 H160 B4 N8 O8 -","8","1","","Bag, Pradip; Itkis, Mikhail E.; Pal, Sushanta K.; Bekyarova, Elena; Donnadieu, Bruno; Haddon, Robert C.","Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor","Crystals","2012","2","2","446","465","10.3390/cryst2020446","","","0.71073","MoKα","","0.0607","0.0401","","","0.1005","0.1157","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508385","8.5518","0.0003","10.8826","0.0008","11.9939","0.0006","101.273","0.005","98.287","0.003","94.092","0.004","1077.54","0.11","130","0.2","130","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","2","","Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M.","Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis","Crystals","2012","2","2","521","527","10.3390/cryst2020521","","","0.7107","MoKα","","0.0581","0.0476","","","0.1181","0.1262","","","","","","1.045","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508386","8.0261","0.0005","12.7412","0.0007","7.9296","0.0005","90","","118.051","0.009","90","","715.64","0.1","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","aminonitroguanidinium bromide monohydrate","aminonitroguanidinium bromide monohydrate","","- C H8 Br N5 O3 -","- C H8 Br N5 O3 -","- C4 H32 Br4 N20 O12 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M.","Inorganic Amino-Nitro-Guanidinium (ANQ) Derivatives","Crystals","2012","2","2","675","689","10.3390/cryst2020675","","","0.71073","MoKα","","0.0411","0.0325","","","0.0636","0.0697","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508387","12.5514","0.001","12.5514","0.001","29.73","0.004","90","","90","","120","","4056.1","0.7","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- Lu20 Ru11 -","- Lu20 Ru11 -","- Lu120 Ru66 -","6","0.333333","","Zimmermann, Sina; Pantenburg, Ingo; Meyer, Gerd","Ru11Lu20, a New Intermetallic Compound with Eight- to Ten-Coordinate Ruthenium Atoms","Crystals","2012","2","2","704","709","10.3390/cryst2020704","","","0.71073","MoKα","","0.063","0.0364","","","0.0786","0.0855","","","","","","0.884","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508388","21.37","0.002","21.37","0.002","7.4607","0.0008","90","","90","","90","","3407.1","0.6","298","","298","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H56 Co2 K N20 O4 -","- C76 H56 Co2 K N20 O4 -","- C152 H112 Co4 K2 N40 O8 -","2","0.25","","Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu","Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K)","Crystals","2012","2","3","946","957","10.3390/cryst2030946","","","0.71075","MoKα","","","0.0467","","","","0.1232","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508389","21.163","0.004","21.163","0.004","7.414","0.0013","90","","90","","90","","3320.5","1.1","273.1","","273.1","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H56 Co2 N20 Na O4 -","- C76 H56 Co2 N20 Na O4 -","- C152 H112 Co4 N40 Na2 O8 -","2","0.25","","Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu","Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K)","Crystals","2012","2","3","946","957","10.3390/cryst2030946","","","0.71075","MoKα","","","0.0511","","","","0.0939","","","","","","1.11","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508390","7.4137","0.0013","7.489","0.0013","7.5391","0.0014","118.928","0.019","109.295","0.017","92.47","0.014","335.18","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","CuBT * 2 H~2~O","Diaqua(μ-5,5'-bistetrazolato-κ^4^N^1^,N^2^,N^5^,N^6^)copper(II)","","- C2 H4 Cu N8 O2 -","- C2 H4 Cu N8 O2 -","- C4 H8 Cu2 N16 O4 -","2","1","","Joas, Manuel; Klapοtke, Thomas M.; Stierstorfer, Jοrg","Preparation and Crystal Structure of Diaqua(?-5,5'-bistetrazolato-?4N1,N2,N5,N6)copper(II)","Crystals","2012","2","3","958","966","10.3390/cryst2030958","","","0.71073","MoKα","","0.0536","0.0448","","","0.1098","0.1158","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508391","6.6491","0.0003","7.9627","0.0006","30.621","0.005","90","","90","","90","","1621.2","0.3","130","0.1","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl N2 O4 -","- C18 H13 Cl N2 O4 -","- C72 H52 Cl4 N8 O16 -","4","1","","Khan, Imtiaz; White, Jonathan M.","Simple and Efficient One-Pot Synthesis, Spectroscopic Characterization and Crystal Structure of Methyl 5-(4-Chlorobenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate","Crystals","2012","2","3","967","973","10.3390/cryst2030967","","","0.7107","MoKα","","0.0354","0.031","","","0.0795","0.0819","","","","","","1.122","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508392","11.3275","0.0015","8.3235","0.0011","18.588","0.002","90","","96.979","0.003","90","","1739.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H19 N2 O13 P3 Zn3 -","- C5 H17 N2 O13 P3 Zn3 -","- C20 H68 N8 O52 P12 Zn12 -","4","1","","Harrison, William T.A.; Currie, William R.","1,5-Diaminopentane As A Structure-Directing Agent for Zincophosphate Networks: Zn3(PO4)2(C5H14N2)2·3H2O and C5H16N2·Zn3(PO4)2(HPO4)·H2O","Crystals","2012","2","3","974","983","10.3390/cryst2030974","","","0.71073","MoKα","","0.1047","0.0561","","","0.1059","0.1191","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508393","9.8152","0.0002","9.6305","0.0002","9.8465","0.0002","90","","116.785","0.001","90","","830.88","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl[(1S)-1-(5-Amino-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate","","- C18 H18 N4 O3 -","- C18 H18 N4 O3 -","- C36 H36 N8 O6 -","2","1","","Lοser, Reik; Nieger, Martin; Gυtschow, Michael","Synthesis and Crystal Structure of Benzyl [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate","Crystals","2012","2","3","1201","1209","10.3390/cryst2031201","","","0.71073","MoKα","","0.034","0.0288","","","0.0607","0.0621","","","","","","0.985","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508394","25.4114","0.0005","8.4744","0.0001","20.6921","0.0004","90","","108.328","0.002","90","","4229.93","0.14","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","ethyl 4-(4-hydroxyphenyl) -6-(6-methoxy-2-naphthyl)-2-oxocyclohex -3-ene-1-carboxylate","","- C26 H24 O5 -","- C26 H24 O5 -","- C208 H192 O40 -","8","1","","Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, Hemmige S.; Mayekar, Anil N.; Narayana, Badiadka","Crystal and Molecular Structure Studies of Ethyl 4-(4-Hydroxyphenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate and Ethyl 4-(3-Bromophenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate","Crystals","2012","2","3","1239","1247","10.3390/cryst2031239","","","1.54178","CuKα","","0.0961","0.0938","","","0.2313","0.2328","","","","","","1.096","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508395","9.5408","0.0016","9.5827","0.0016","11.58","0.002","90","","105.838","0.003","90","","1018.5","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","","Saeed, Aamer; Arshad, Ifzan; Florke, Ulrich","One-Pot Synthesis and Crystal Structure of Methyl 5-Hydroxy-1-phenyl-1H-pyrazole-3-carboxylate","Crystals","2012","2","3","1248","1252","10.3390/cryst2031248","","","0.71073","MoKα","","0.0553","0.0429","","","0.1021","0.1098","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508396","9.455","0.002","12.0445","0.0017","16.493","0.002","87.469","0.01","83.061","0.014","75.465","0.014","1804.6","0.5","296","2","296","1","","","","","","","methanol","7","P -1","-P 1","2","","[μ-2,2'-(2,8-Dimethyl-4,7,10,12-tetrahydrodi-imidazo[4,5-<i>c</i>:4',5'- <i>h</i>][1,6]diazecine-5,11(1<i>H</i>,6<i>H</i>)-diyl)bis(<i>N</i>,<i>N</i>- dimethylethanamine)]-tetra-aqua-di-copper(ii) tetrakis(tetrafluoridoborate)","","- C20 H44 B4 Cu2 F16 N8 O4 -","- C20 H44 B4 Cu2 F16 N8 O4 -","- C40 H88 B8 Cu4 F32 N16 O8 -","2","1","","Olguin, Juan; Bernes, Sylvain; Gasque, Laura","Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template","Crystals","2012","2","3","1357","1365","10.3390/cryst2031357","","","0.71073","MoKα","","0.0753","0.0631","","","0.173","0.1812","","","","","","1.119","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508397","10.4816","0.0009","7.0223","0.0007","22.732","0.003","90","","95.913","0.008","90","","1664.3","0.3","296","2","296","2","","","","","","","methanol","7","P 1 21/c 1","-P 2ybc","14","","[μ-2,2'-(2,8-Dimethyl-4,7,10,12-tetrahydrodi-imidazo[4,5-<i>c</i>:4',5'- <i>h</i>][1,6]diazecine-5,11(1<i>H</i>,6<i>H</i>)-diyl) bis(<i>N</i>,<i>N</i>- dimethylethanamine)]-di-aqua-difluorido-di-copper(ii) bis(tetrafluoridoborate) dihydrate","","- C20 H44 B2 Cu2 F10 N8 O4 -","- C20 H44 B2 Cu2 F10 N8 O4 -","- C40 H88 B4 Cu4 F20 N16 O8 -","2","0.5","","Olguin, Juan; Bernes, Sylvain; Gasque, Laura","Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template","Crystals","2012","2","3","1357","1365","10.3390/cryst2031357","","","0.71073","MoKα","","0.0583","0.0417","","","0.1129","0.1278","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508398","6.2948","0.001","8.2624","0.0014","10.7612","0.0017","75.964","0.019","89.232","0.019","84.072","0.019","540.04","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H12 Br3 Cu2 N -","- C5 H12 Br3 Cu2 N -","- C10 H24 Br6 Cu4 N2 -","2","1","","Komm, Theresa; Biner, Daniel; Neels, Antonia; Kramer, Karl W.","(C5H12N)Cu2Br3: A Piperidinium Copper(I) Bromide with [Cu2Br3]? Ladders","Crystals","2012","2","4","1434","1440","10.3390/cryst2041434","","","0.71073","MoKα","","0.0689","0.0534","","","0.1298","0.1459","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508399","15.4039","0.0012","15.2813","0.0012","17.8904","0.0014","99.662","0.001","113.423","0.001","102.481","0.001","3618.4","0.5","149.8","0.5","149.8","0.5","","","","","","","","3","P 1","P 1","1","beta-cyclodextrin Aegelinol clathrate hydrate","cyclomaltoheptaose pyranocoumarin clathrate hydrate","","- C56 H102.5 O50.75 -","- C56 H102.5 O50.75 -","- C112 H205 O101.5 -","2","2","","Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan","Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin","Crystals","2012","2","4","1441","1454","10.3390/cryst2041441","","","1.54179","CuKα","","0.071","0.0657","","","0.19","0.1966","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508400","6.8921","0.0003","11.4302","0.0009","44.964","0.003","90","","90","","90","","3542.2","0.4","150.05","0.1","150.05","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Aegelinol","pyranocoumarin","","- C14 H14 O4 -","- C14 H14 O4 -","- C168 H168 O48 -","12","3","","Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan","Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin","Crystals","2012","2","4","1441","1454","10.3390/cryst2041441","","","0.71073","MoKα","","0.0522","0.0444","","","0.0956","0.1005","","","","","","1.097","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508401","10.7572","0.0003","9.7154","0.0003","20.5873","0.0006","90","","90.003","0.003","90","","2151.59","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Richter, Frank; Nerdinger, Sven; Schottenberger, Herwig","Improved Synthesis and Crystal Structure of Dalcetrapib","Crystals","2012","2","4","1455","1459","10.3390/cryst2041455","","","1.5418","CuKα","","0.0582","0.0392","","","0.089","0.0937","","","","","","0.934","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508423","8.8565","0.0007","13.349","0.001","14.654","0.001","106.617","0.002","102.684","0.002","98.963","0.002","1574.7","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H27.91 B18 Cl2.09 Co S8 -","- C14 H27.907 B18 Cl2.093 Co S8 -","- C28 H55.814 B36 Cl4.186 Co2 S16 -","2","1","","Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.","New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities","Crystals","2012","2","1","43","55","10.3390/cryst2010043","","","0.71073","MoKα","","0.114","0.059","","","0.0843","0.0971","","","","","","0.878","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508424","8.7106","0.0016","13.441","0.002","14.742","0.003","106.991","0.003","101.784","0.003","99.504","0.003","1568.6","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H27.75 B18 Br0.75 Cl1.25 Co S8 -","- C14 H27.752 B18 Br0.752 Cl1.248 Co S8 -","- C28 H55.504 B36 Br1.504 Cl2.496 Co2 S16 -","2","1","","Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.","New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities","Crystals","2012","2","1","43","55","10.3390/cryst2010043","","","0.71073","MoKα","","0.2279","0.0761","","","0.091","0.1201","","","","","","0.866","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508425","10.809","0.001","16.187","0.001","20.412","0.001","100.22","0.01","100.43","0.01","107.21","0.01","3252.1","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36.84 B18 Br1.16 Co O0.72 S32 -","- C35.98 H36.85 B18.02 Br1.159 Co O0.72 S32 -","- C71.96 H73.7 B36.04 Br2.318 Co2 O1.44 S64 -","2","1","","Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.","New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities","Crystals","2012","2","1","43","55","10.3390/cryst2010043","","","0.71073","MoKα","","0.0643","0.0514","","","0.0916","0.0955","","","","","","0.849","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508426","8.7982","0.0006","8.8927","0.0007","9.7756","0.0005","67.827","0.006","86.181","0.005","71.794","0.007","671.68","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H18 N12 -","- C8 H18 N12 -","- C16 H36 N24 -","2","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.049","0.038","","","0.0982","0.1023","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508427","5.9696","0.0001","16.7493","0.0004","19.0799","0.0004","90","","90","","90","","1907.73","0.07","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H15 N7 -","- C7 H15 N7 -","- C56 H120 N56 -","8","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.0491","0.0411","","","0.1081","0.1122","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508428","12.6856","0.0003","8.82","0.0002","31.3885","0.0008","90","","99.39","0.002","90","","3464.91","0.15","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 N16 O8 -","- C20 H58 N16 O8 -","- C80 H232 N64 O32 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.0639","0.0417","","","0.0988","0.1083","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508429","8.8064","0.0003","11.1285","0.0003","10.5456","0.0003","90","","102.894","0.003","90","","1007.43","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H17 N7 O -","- C7 H17 N7 O -","- C28 H68 N28 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.0563","0.0379","","","0.0829","0.0889","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508430","18.0338","0.0007","3.601","0.002","14.906","0.003","90","","91.94","0.01","90","","967.4","0.6","233","2","233","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C H3 Ag N6 -","- C H3 Ag N6 -","- C8 H24 Ag8 N48 -","8","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.71073","MoKα","","0.0462","0.0368","","","0.0966","0.1038","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508431","5.9032","0.0007","7.4591","0.0008","9.2538","0.0008","113.598","0.009","98.37","0.008","99.017","0.009","358.88","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H9 N5 S -","- C4 H9 N5 S -","- C8 H18 N10 S2 -","2","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.71073","MoKα","","0.0348","0.0297","","","0.0696","0.0731","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508432","5.9035","0.0009","13.388","0.002","11.3173","0.0019","90","","93.941","0.017","90","","892.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 N5 P -","- C5 H12 N5 P -","- C20 H48 N20 P4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.7107","MoKα","","0.0391","0.0303","","","0.0793","0.0816","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508433","5.2452","0.0002","14.029","0.0004","10.7735","0.0004","90","","102.036","0.003","90","","775.34","0.05","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 N5 O S -","- C4 H9 N5 O S -","- C16 H36 N20 O4 S4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","x-ray","0.7107","MoKα","","0.0312","0.0276","","","0.0703","0.0717","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508434","5.49","0.0004","8.4206","0.0006","10.3003","0.0006","78.564","0.005","85.796","0.006","81.876","0.006","461.53","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N6 O -","- C6 H14 N6 O -","- C12 H28 N12 O2 -","2","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.71073","MoKα","","0.0416","0.0345","","","0.0946","0.0983","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508442","8.3243","0.0007","7.5173","0.0006","13.5465","0.0011","90","","90.908","0.001","90","","847.58","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As6 Ga Na10 Nb -","- As6 Ga Na10 Nb -","- As12 Ga2 Na20 Nb2 -","2","0.5","","He, Hua; Tyson,Chauntae; Bobev, Svilen","Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6","Crystals","2012","2","2","213","223","10.3390/cryst2020213","","","0.71073","MoKα","","0.0371","0.0263","","","0.0464","0.0492","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508443","22.843","0.006","4.7892","0.0012","16.861","0.004","90","","90","","90","","1844.6","0.8","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As6 Ga3 Na8 Rb -","- As6 Ga3 Na8 Rb -","- As24 Ga12 Na32 Rb4 -","4","0.5","","He, Hua; Tyson,Chauntae; Bobev, Svilen","Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6","Crystals","2012","2","2","213","223","10.3390/cryst2020213","","","0.71073","MoKα","","0.0619","0.0326","","","0.0521","0.0611","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508444","22.276","0.003","4.6947","0.0006","16.356","0.002","90","","90","","90","","1710.5","0.4","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga3 Na8 P6 Rb -","- Ga3 Na8 P6 Rb -","- Ga12 Na32 P24 Rb4 -","4","0.5","","He, Hua; Tyson,Chauntae; Bobev, Svilen","Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6","Crystals","2012","2","2","213","223","10.3390/cryst2020213","","","0.71073","MoKα","","0.0698","0.041","","","0.0625","0.0707","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508445","15.7423","0.0013","13.2947","0.0011","33.81","0.003","90","","96.701","0.006","90","","7027.7","1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N3 O0.5 S16 -","- C27 H16 N3 O0.5 S16.0002 -","- C216 H128 N24 O4 S128.002 -","8","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","x-ray","1.54178","Cukα","","0.1238","0.079","","","0.2246","0.2542","","","","","","0.966","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508446","15.5152","0.0013","13.2644","0.001","33.673","0.002","90","","97.443","0.006","90","","6871.5","0.9","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N3 O S16 -","- C25 H16 N3 O S16 -","- C200 H128 N24 O8 S128 -","8","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.1974","0.1562","","","0.4577","0.4738","","","","","","1.73","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508447","17.3403","0.0013","20.1481","0.0015","23.9412","0.0018","84.225","0.006","69.596","0.007","76.254","0.006","7613.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N4 O2 S16 -","- C29 H21 N4 O2 S16 -","- C232 H168 N32 O16 S128 -","8","4","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.4861","0.1015","","","0.1248","0.1793","","","","","","0.758","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1508448","10.2496","0.0007","11.2314","0.001","18.0649","0.0011","96.525","0.006","90.593","0.005","115.397","0.007","1862.4","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N4 O2 S16 -","- C29 H21 N4 O2 S16 -","- C58 H42 N8 O4 S32 -","2","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.0965","0.0487","","","0.1018","0.1171","","","","","","0.888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508449","7.6688","0.0003","12.6432","0.0004","22.6204","0.0005","98.43","0.002","98.463","0.002","106.246","0.003","2041.6","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24.5 Cl1.5 N4 O2 S16 -","- C31 H23 Cl1.5 N4 O2 S16 -","- C62 H46 Cl3 N8 O4 S32 -","2","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.0611","0.0506","","","0.1252","0.1363","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508450","7.0227","0.0002","12.676","0.0003","13.1732","0.0003","62.169","0.001","76.282","0.001","78.615","0.001","1002.31","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","EDT-TTF-I, DDQ","3-iodo-3',4'-ethylenedithio-tetrathiafulvalene, dichlorodicyanobenzoquinone","","- C16 H5 Cl2 I N2 O2 S6 -","- C16 H5 Cl2 I N2 O2 S6 -","- C32 H10 Cl4 I2 N4 O4 S12 -","2","1","","Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc","Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs","Crystals","2012","2","2","327","337","10.3390/cryst2020327","","","0.71073","MoKα","","0.0449","0.0341","","","0.0819","0.0967","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508451","7.4173","0.0009","12.9354","0.0015","21.258","0.003","79.6","0.004","85.564","0.004","75.854","0.004","1944.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(EDT-TTF-I2)2,DDQ,CH3CN","bis(3,4-diiodo-3',4'-ethyleneditio-tetrathiafulvalene), dichlorodicyanobenzoquinone, acetenitrile","","- C26 H11 Cl2 I4 N3 O2 S12 -","- C26 H11 Cl2 I4 N3 O2 S12 -","- C52 H22 Cl4 I8 N6 O4 S24 -","2","1","","Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc","Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs","Crystals","2012","2","2","327","337","10.3390/cryst2020327","","","0.71073","MoKα","","0.0676","0.0426","","","0.1145","0.1444","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508452","10.7727","0.0012","11.3734","0.0012","23.982","0.003","98.566","0.004","95.298","0.004","116.168","0.004","2566.1","0.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H152 N4 O32 W10 -","- C84 H152 N4 O32 W10 -","- C84 H152 N4 O32 W10 -","1","0.5","","Ito, Takeru; Fujimoto, Nozomu; Uchida, Sayaka; Iijima, Jun; Naruke, Haruo; Mizuno, Noritaka","Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid","Crystals","2012","2","2","362","373","10.3390/cryst2020362","","","0.71075","MoKα","","0.0426","0.0354","","","0.0807","0.0842","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508453","42.054","0.004","12.3735","0.0009","4.276","0.0003","90","","90","","90","","2225","0.3","273","","273","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H10 Au N4 S6 Se2 -","- C16 H10 Au N4 S6 Se2 -","- C64 H40 Au4 N16 S24 Se8 -","4","0.5","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.0593","0.0535","","","0.1123","0.1154","","","","","","1.214","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508454","8.532","0.006","9.75","0.007","13.597","0.01","94.949","0.017","94.723","0.014","93.783","0.013","1120","1.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 O4.5 Re S6 Se2 -","- C12 H10 O4.5 Re S6 Se2 -","- C24 H20 O9 Re2 S12 Se4 -","2","1","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.1084","0.0835","","","0.2044","0.2303","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508455","7.893","0.002","8.594","0.003","34.646","0.01","89.481","0.008","84.178","0.006","77.788","0.004","2284.9","1.2","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl I6 S12 Se4 -","- C25 H22 Cl I6 S12 Se4 -","- C50 H44 Cl2 I12 S24 Se8 -","2","1","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.1006","0.0654","","","0.1587","0.1813","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508456","8.443","0.002","8.859","0.002","16.686","0.005","84.118","0.011","89.712","0.013","68.365","0.009","1153.3","0.5","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 I3 S6 Se2 -","- C14 H12 I3 S6 Se2 -","- C28 H24 I6 S12 Se4 -","2","1","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.0972","0.0455","","","0.0993","0.1235","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508457","7.6672","0.0008","9.8657","0.0011","17.9733","0.0012","91.151","0.009","93.636","0.007","102.434","0.009","1324.2","0.2","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Cl5 N O Os S24 -","- C30 H24 Cl5 N O Os S24 -","- C30 H24 Cl5 N O Os S24 -","1","0.5","","Zorina, Leokadiya; Simonov, Sergey; Canadell, Enric; Shibaeva, Rimma","Single-Crystal-to-Single-Crystal Transformation from delta-(BEDT-TTF)4[OsNOCl5]1.33(C6H5NO2)0.67 to beta''""-(BEDT-TTF)3[OsNOCl5]","Crystals","2012","2","2","627","642","10.3390/cryst2020627","","","0.71073","MoKα","","0.0675","0.0475","","","0.1277","0.1376","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508458","9.143","0.003","19.352","0.005","10.894","0.003","90","","106.286","0.005","90","","1850.2","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N6 O8 -","- C36 H42 N6 O8 -","- C72 H84 N12 O16 -","2","0.5","","Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi","Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives","Crystals","2012","2","2","662","668","10.3390/cryst2020662","","","0.71075","MoKα","","","0.0854","","","","0.298","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508459","12.89","0.004","9.7","0.003","16.89","0.005","90","","102.92","0.005","90","","2058.3","1.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Cl4 N6 O8 -","- C36 H44 Cl4 N6 O8 -","- C72 H88 Cl8 N12 O16 -","2","0.5","","Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi","Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives","Crystals","2012","2","2","662","668","10.3390/cryst2020662","","","0.71075","MoKα","","","0.0607","","","","0.1906","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508460","12","0.004","6.72","0.0019","24.4","0.007","90","","92.21","0.006","90","","1966.2","1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N6 O8 -","- C40 H42 N6 O8 -","- C80 H84 N12 O16 -","2","0.5","","Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi","Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives","Crystals","2012","2","2","662","668","10.3390/cryst2020662","","","0.71075","MoKα","","","0.0635","","","","0.1763","","","","","","0.876","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508461","7.2831","0.0015","10.522","0.002","11.41","0.002","83.38","0.03","80.83","0.03","82.02","0.03","851","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","methyl 4-hydroxy-3-nitrobenzoate","","- C8 H7 N O5 -","- C8 H7 N O5 -","- C32 H28 N4 O20 -","4","2","","Fu, Xin-Ling; Li, Jiang-Sheng; Simpson, Jim","Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate","Crystals","2012","2","2","669","674","10.3390/cryst2020669","","","0.71073","MoKα","","0.1583","0.1002","","","0.2139","0.2519","","","","","","0.951","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508462","14.325","0.007","6.403","0.003","36.893","0.019","90","","97.543","0.005","90","","3355","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Pd2 S20 Sb -","- C16 H12 Pd2 S20 Sb -","- C64 H48 Pd8 S80 Sb4 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0316","","","","0.0775","","","","","","1.022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508463","14.379","0.003","6.3539","0.0012","36.496","0.007","90","","98.07","0.002","90","","3301.4","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 P Pd2 S20 -","- C16 H12 P Pd2 S20 -","- C64 H48 P4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0271","","","","0.0939","","","","","","1.153","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508464","14.383","0.004","6.3691","0.0015","36.672","0.009","90","","97.793","0.003","90","","3328.4","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 As Pd2 S20 -","- C16 H12 As Pd2 S20 -","- C64 H48 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.031","","","","0.067","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508465","14.503","0.003","6.3989","0.0012","37.244","0.007","90","","97.352","0.002","90","","3427.9","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Pd2 S20 Sb -","- C17 H13 Pd2 S20 Sb -","- C68 H52 Pd8 S80 Sb4 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71073","MoKα","","0.0376","0.0307","","","0.0684","0.0713","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508466","14.437","0.004","6.3614","0.0015","37.243","0.009","90","","96.938","0.003","90","","3395.3","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 P Pd2 S20 -","- C17 H14 P Pd2 S20 -","- C68 H56 P4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0324","","","","0.082","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508467","14.448","0.004","6.3715","0.0018","37.282","0.011","90","","96.973","0.003","90","","3406.6","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 As Pd2 S20 -","- C17 H16 As Pd2 S20 -","- C68 H64 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.033","","","","0.0835","","","","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508468","14.628","0.004","6.4235","0.0015","37.577","0.009","90","","97.577","0.002","90","","3500","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Pd2 S20 Sb -","- C18 H16 Pd2 S20 Sb -","- C72 H64 Pd8 S80 Sb4 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71073","MoKα","","0.0467","0.0375","","","0.0899","0.092","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508469","14.473","0.003","6.3918","0.0013","37.859","0.008","90","","96.009","0.003","90","","3483","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 P Pd2 S20 -","- C18 H16 P Pd2 S20 -","- C72 H64 P4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0323","","","","0.0931","","","","","","1.036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508470","14.495","0.004","6.4","0.0015","37.816","0.01","90","","96.388","0.003","90","","3486.3","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 As Pd2 S20 -","- C18 H16 As Pd2 S20 -","- C72 H64 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0316","","","","0.0983","","","","","","1.082","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508471","7.5434","0.0003","15.5493","0.0007","12.7552","0.0004","90","","90.198","0.003","90","","1496.11","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Br3 F6 N2 P -","- C8 H10 Br3 F6 N2 P -","- C32 H40 Br12 F24 N8 P4 -","4","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0805","0.0548","","","0.1206","0.1378","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508472","23.6138","0.0003","23.6138","0.0003","18.8371","0.0004","90","","90","","90","","10503.8","0.3","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C7 H8 B Br3 F4 N2 -","- C7 H8 B Br3 F4 N2 -","- C224 H256 B32 Br96 F128 N64 -","32","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0597","0.0427","","","0.0974","0.1053","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508473","7.1109","0.0002","7.8014","0.0002","15.6397","0.0005","90","","90","","90","","867.61","0.04","173","2","173","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C6 H3 Br3 N2 -","- C6 H3 Br3 N2 -","- C24 H12 Br12 N8 -","4","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0205","0.0191","","","0.0421","0.0427","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508474","8.2368","0.0005","13.4522","0.0008","13.6605","0.0006","92.476","0.004","100.965","0.004","92.884","0.005","1481.96","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Br3 F6 N2 P -","- C8 H8 Br3 F6 N2 P -","- C32 H32 Br12 F24 N8 P4 -","4","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","1.5418","CuKα","","0.0433","0.0392","","","0.1024","0.1057","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508475","23.4674","0.0004","23.4674","0.0004","18.6531","0.0004","90","","90","","90","","10272.6","0.3","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C7 H6 B Br3 F4 N2 -","- C7 H6 B Br3 F4 N2 -","- C224 H192 B32 Br96 F128 N64 -","32","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.057","0.0436","","","0.1031","0.1096","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508476","7.5438","0.0004","8.6311","0.0005","15.9716","0.0007","75.02","0.004","87.083","0.004","66.58","0.005","920.25","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H6 Br3 F6 N3 O4 S2 -","- C9 H6 Br3 F6 N3 O4 S2 -","- C18 H12 Br6 F12 N6 O8 S4 -","2","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0605","0.0392","","","0.0912","0.095","","","","","","0.937","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508477","7.6729","0.0004","7.8858","0.0005","15.8383","0.0007","90.001","0.004","88.104","0.004","62.169","0.008","846.88","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Br5 F6 N2 P -","- C8 H8 Br5 F6 N2 P -","- C16 H16 Br10 F12 N4 P2 -","2","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0569","0.0425","","","0.1024","0.1097","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508478","7.32","0.0007","11.5867","0.0012","18.1972","0.0016","87.611","0.008","81.121","0.008","86.375","0.008","1521","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 Br6 N2 -","- C8 H8 Br6 N2 -","- C32 H32 Br24 N8 -","4","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.065","0.0404","","","0.0615","0.0707","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508479","9.208","0.0004","14.0485","0.0007","10.3826","0.0006","90","","90","","90","","1343.08","0.12","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S.","Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives","Crystals","2012","2","3","1058","1066","10.3390/cryst2031058","","","0.7107","MoKα","","0.0454","0.0372","","","0.0868","0.092","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508480","10.6092","0.0008","10.8355","0.0008","11.1346","0.0009","90","","98.643","0.006","90","","1265.45","0.17","130","1","130","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N O S -","- C13 H12 Cl N O S -","- C52 H48 Cl4 N4 O4 S4 -","4","1","","Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S.","Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives","Crystals","2012","2","3","1058","1066","10.3390/cryst2031058","","","1.5418","CuKα","","0.0356","0.035","","","0.0986","0.0992","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508481","10.3738","0.0007","10.8501","0.0007","11.8301","0.0009","90","","98.615","0.007","90","","1316.53","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N O S -","- C13 H12 Cl N O S -","- C52 H48 Cl4 N4 O4 S4 -","4","1","","Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S.","Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives","Crystals","2012","2","3","1058","1066","10.3390/cryst2031058","","","0.7107","MoKα","","0.0882","0.0656","","","0.1763","0.1929","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508482","5.2296","0.001","11.006","0.002","31.718","0.006","90","","93.903","0.006","90","","1821.4","0.6","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O S4 Se4 -","- C14 H10 O S4 Se4 -","- C56 H40 O4 S16 Se16 -","4","1","","Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji","Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene","Crystals","2012","2","3","1092","1107","10.3390/cryst2031092","","","0.7107","MoKα","","0.0918","0.0601","","","0.1397","0.1596","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508483","7.917","0.003","10.582","0.003","15.979","0.005","76.666","0.016","89.916","0.017","89.124","0.019","1302.4","0.7","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C17 H12.5 Cl0.5 F6 O P S4 Se4 -","- C17 H12.5 Cl0.5 F6 O P S4 Se4 -","- C34 H25 Cl F12 O2 P2 S8 Se8 -","2","1","","Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji","Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene","Crystals","2012","2","3","1092","1107","10.3390/cryst2031092","","","0.7107","MoKα","","0.128","0.0786","","","0.2454","0.2846","","","","","","0.964","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508484","12.666","0.003","14.299","0.004","16.289","0.005","85.39","0.02","88.219","0.019","79.788","0.018","2893.6","1.4","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 Cl2 F12 P2 S10 Se8 -","- C40 H30.01 Cl1.99 F12 P2 S10 Se8 -","- C80 H60.02 Cl3.98 F24 P4 S20 Se16 -","2","1","","Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji","Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene","Crystals","2012","2","3","1092","1107","10.3390/cryst2031092","","","0.7107","MoKα","","0.1263","0.0745","","","0.2084","0.2674","","","","","","0.974","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508485","17.6219","0.0006","10.8735","0.0003","15.3216","0.0005","90","","102.864","0.003","90","","2862.11","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide","","- C16 H13 F2 N3 O -","- C16 H13 F2 N3 O -","- C128 H104 F16 N24 O8 -","8","1","","Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.","Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","Crystals","2012","2","3","1108","1115","10.3390/cryst2031108","","","0.71073","MoKα","","0.0655","0.0511","","","0.1333","0.1441","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508486","14.339","0.002","11.1478","0.0017","9.541","0.002","90","","107.007","0.018","90","","1458.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","","- C16 H13 F2 N3 S -","- C16 H13 F2 N3 S -","- C64 H52 F8 N12 S4 -","4","1","","Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.","Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","Crystals","2012","2","3","1108","1115","10.3390/cryst2031108","","","0.71073","MoKα","","0.0575","0.0413","","","0.0959","0.1047","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508487","15.7896","0.0009","15.7896","0.0009","20.8659","0.0014","90","","90","","90","","5202.1","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ce10 O Se14 -","- Ce10 O Se14 -","- Ce80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0661","0.0337","","","0.0506","0.0572","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508488","15.9204","0.0009","15.9204","0.0009","21.0648","0.0014","90","","90","","90","","5339.1","0.6","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- La10 O Se14 -","- La10 O Se14 -","- La80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0692","0.0381","","","0.0709","0.0784","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508489","15.5983","0.0008","15.5983","0.0008","20.6291","0.0012","90","","90","","90","","5019.2","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Nd10 O Se14 -","- Nd10 O Se14 -","- Nd80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.049","0.0377","","","0.0892","0.0957","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508490","15.6874","0.0008","15.6874","0.0008","20.7342","0.0013","90","","90","","90","","5102.6","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- O Pr10 Se14 -","- O Pr10 Se14 -","- O8 Pr80 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0518","0.0317","","","0.0615","0.0674","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508491","7.3259","0.0001","7.3259","0.0001","67.5487","0.0012","90","","90","","90","","3625.26","0.1","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C96 H80 Au7.52 Cl15.04 N16 S48 -","8","0.5","","Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C.","Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9)","Crystals","2012","2","3","1283","1290","10.3390/cryst2031283","","","0.71073","MoKα","","0.0501","0.0441","","","0.1031","0.1075","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508492","7.3066","0.0001","7.3066","0.0001","67.3719","0.0012","90","","90","","90","","3596.74","0.09","260","2","260","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C12 H10 Au0.951 Cl1.902 N2 S6 -","- C96 H80 Au7.608 Cl15.216 N16 S48 -","8","0.5","","Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C.","Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9)","Crystals","2012","2","3","1283","1290","10.3390/cryst2031283","","","1.54178","CuKα","","0.049","0.0455","","","0.109","0.111","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508493","15.6941","0.0006","10.7909","0.0004","8.6586","0.0003","90","","102.184","0.004","90","","1433.33","0.09","125","1","125","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C60 H52 Cl4 N8 O4 S4 -","4","1","","Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R.","Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one","Crystals","2012","2","3","1347","1356","10.3390/cryst2031347","","","0.7107","MoKα","","0.0428","0.0343","","","0.083","0.0882","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508494","15.5187","0.0008","10.9358","0.0005","8.8141","0.0004","90","","101.245","0.005","90","","1467.12","0.12","230","1","230","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C60 H52 Cl4 N8 O4 S4 -","4","1","","Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R.","Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one","Crystals","2012","2","3","1347","1356","10.3390/cryst2031347","","","0.7107","MoKα","","0.0688","0.0455","","","0.1054","0.1195","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508495","15.1766","0.0019","11.2809","0.0014","8.9334","0.0014","90","","98.726","0.013","90","","1511.7","0.4","380","1","380","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C60 H52 Cl4 N8 O4 S4 -","4","1","","Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R.","Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one","Crystals","2012","2","3","1347","1356","10.3390/cryst2031347","","","0.7107","MoKα","","0.1157","0.0645","","","0.1757","0.2065","","","","","","0.993","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508496","5.1024","0.0003","8.2922","0.0005","9.3064","0.0006","90","","90","","90","","393.75","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H4 N2 O -","- C3 H4 N2 O -","- C12 H16 N8 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","1.5418","CuKα","","0.0315","0.0301","","","0.0818","0.0829","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508497","4.2693","0.0002","10.7541","0.0004","10.9756","0.0004","90","","93.535","0.003","90","","502.96","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Cl N2 O -","- C3 H5 Cl N2 O -","- C12 H20 Cl4 N8 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","0.71073","MoKα","","0.0251","0.0232","","","0.0611","0.0625","","","","","","1.116","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508498","4.4182","0.0002","11.0416","0.0006","11.2015","0.0006","90","","94.081","0.004","90","","545.07","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Br N2 O -","- C3 H5 Br N2 O -","- C12 H20 Br4 N8 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","0.71073","MoKα","","0.0225","0.0194","","","0.0445","0.0465","","","","","","0.905","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508499","6.5611","0.001","7.7322","0.0011","12.1134","0.0014","97.82","0.011","91.912","0.011","113.295","0.014","556.62","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 N4 O6 S -","- C6 H10 N4 O6 S -","- C12 H20 N8 O12 S2 -","2","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","0.71073","MoKα","","0.0538","0.0387","","","0.0857","0.0967","","","","","","1.037","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508500","3.6216","0.0006","17.385","0.003","9.0259","0.0013","90","","90.499","0.013","90","","568.26","0.16","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H5 N3 O4 -","- C3 H5 N3 O4 -","- C12 H20 N12 O16 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","1.5418","CuKα","","0.0317","0.0305","","","0.0741","0.0751","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508501","11.601","0.002","10.39","0.002","10.498","0.002","90","","115.15","0.03","90","","1145.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bismuthethandisulfonato","","- C3 H10 Bi O11 S3 -","- C3 H10 Bi O11 S3 -","- C12 H40 Bi4 O44 S12 -","4","1","","Gschwind, Fabienne; Jansen, Martin","An Unusual Bismuth Ethanedisulfonate Network","Crystals","2012","2","4","1374","1381","10.3390/cryst2041374","","x-ray","0.71073","MoKα","","0.0386","0.0283","","","0.0475","0.0492","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509187","5.6169","","5.6169","","22.5973","","90","","90","","120","","617.42","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Al11 O17 -","- Ag1.001 Al11 O16.999 -","- Ag2.002 Al22 O33.998 -","2","0.0833333","","Cheetham, A.K.; Tofield, B.C.; Newsam, J.M.","Stoichiometric silver beta alumina studied at 25,300 and 500C by powder neutron diffraction","Journal of Physics: Condensed Matter","1990","2","","2335","2344","10.1088/0953-8984/2/10/001","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509195","7.7548","","7.7548","","7.7548","","90","","90","","90","","466.35","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ag (As F6)","","- Ag As F6 -","- Ag As F5.9994 -","- Ag4 As4 F23.9976 -","4","0.0208333","","Ito, Y.; Kitashita, K.; Tamada, O.; Hagiwara, R.","Crystal structure of Ag P F6 and Ag As F6 at ambient temperatures","Solid State Sciences","2000","2","","237","241","10.1016/S1293-2558(00)00124-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509327","7.5508","","7.5508","","7.5508","","90","","90","","90","","430.506","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ag (P F6)","","- Ag F6 P -","- Ag F5.9994 P -","- Ag4 F23.9976 P4 -","4","0.0208333","","Hagiwara, R.; Kitashita, K.; Tamada, O.; Ito, Y.","Crystal structure of Ag P F6 and Ag As F6 at ambient temperatures","Solid State Sciences","2000","2","","237","241","10.1016/S1293-2558(00)00124-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510273","11.959","","11.959","","5.877","","90","","90","","90","","840.515","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","","","- Au Pb3 -","- Au Pb3 -","- Au8 Pb24 -","8","0.5","","Wang, R.; Giessen, B.C.","A B-element-rich representative of the alpha - V3 S type: Au Pb3","Metallurgical Transactions","1971","2","","2195","2197","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510279","5.062","","5.062","","5.062","","90","","90","","90","","129.708","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","(Au Pt) Ti6","","- Au Pt Ti6 -","- Au Pt Ti6 -","- Au Pt Ti6 -","1","0.0208333","","Pietrokowsky, P.","Phase relationships in the system Ti3 Au - Ti3 Pt","Scripta Metallurgica","1968","2","","379","383","10.1016/0036-9748(68)90203-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510436","6.905","","6.905","","6.905","","90","","90","","90","","329.224","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Au2 In Y -","- Au2 In Y -","- Au8 In4 Y4 -","4","0.0208333","","Wernick, J.H.; Bernardini, J.E.; Hull, G.W.; Geballe, T.H.; Waszczak, J.V.","Superconductivity in ternary Heusler intermetallic compounds","Materials Letters","1983","2","","90","92","10.1016/0167-577X(83)90043-5","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510502","3.633","","3.633","","3.633","","90","","90","","90","","47.951","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Au3 Cu97)0.04","","- Au0.12 Cu3.88 -","- Au0.12 Cu3.88 -","- Au0.12 Cu3.88 -","1","0.00520833","","Brockhouse, B.N.; Hallman, E.D.; Ng, S.C.","Characterization of large alloy single crystals by neutron diffraction","Materials Research Bulletin","1967","2","","69","73","10.1016/0025-5408(67)90044-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510635","3.01","","3.01","","3.12","","90","","90","","120","","24.48","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cr Mo B4)0.5","","- B2 Cr0.5 Mo0.5 -","- B2 Cr0.5 Mo0.5 -","- B2 Cr0.5 Mo0.5 -","1","0.0416667","","Post, B.; Moskowitz, D.; Glaser, F.W.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510636","3.025","","3.025","","3.21","","90","","90","","120","","25.438","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cr0.5 Ta0.5) B2","","- B2 Cr0.5 Ta0.5 -","- B2 Cr0.5 Ta0.5 -","- B2 Cr0.5 Ta0.5 -","1","0.0416667","","Post, B.; Glaser, F.W.; Moskowitz, D.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510638","2.99","","2.99","","3.14","","90","","90","","120","","24.311","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cr0.5 Ti0.5) B2","","- B2 Cr0.5 Ti0.5 -","- B2 Cr0.5 Ti0.5 -","- B2 Cr0.5 Ti0.5 -","1","0.0416667","","Glaser, F.W.; Post, B.; Moskowitz, D.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510639","2.99","","2.99","","3.045","","90","","90","","120","","23.575","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cr0.5 V0.5) B2","","- B2 Cr0.5 V0.5 -","- B2 Cr0.5 V0.5 -","- B2 Cr0.5 V0.5 -","1","0.0416667","","Moskowitz, D.; Glaser, F.W.; Post, B.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510641","2.97","","2.97","","3.07","","90","","90","","120","","23.452","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Cr B2","","- B2 Cr -","- B2 Cr -","- B2 Cr -","1","0.0416667","","Moskowitz, D.; Glaser, F.W.; Post, B.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510710","3.085","","3.085","","3.368","","90","","90","","120","","27.76","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Hf0.5 Ti0.5) B2","","- B2 Hf0.5 Ti0.5 -","- B2 Hf0.5 Ti0.5 -","- B2 Hf0.5 Ti0.5 -","1","0.0416667","","Moskowitz, D.; Glaser, F.W.; Post, B.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510760","3.035","","3.035","","3.206","","90","","90","","120","","25.575","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Mo Ti B4)0.5","","- B2 Mo0.5 Ti0.5 -","- B2 Mo0.5 Ti0.5 -","- B2 Mo0.5 Ti0.5 -","1","0.0416667","","Glaser, F.W.; Post, B.; Moskowitz, D.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510761","3.085","","3.085","","3.4","","90","","90","","120","","28.023","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Mo Zr B4)0.5","","- B2 Mo0.5 Zr0.5 -","- B2 Mo0.5 Zr0.5 -","- B2 Mo0.5 Zr0.5 -","1","0.0416667","","Post, B.; Glaser, F.W.; Moskowitz, D.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510775","3.06","","3.06","","3.264","","90","","90","","120","","26.468","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Nb Ti B4)0.5","","- B2 Nb0.5 Ti0.5 -","- B2 Nb0.5 Ti0.5 -","- B2 Nb0.5 Ti0.5 -","1","0.0416667","","Glaser, F.W.; Moskowitz, D.; Post, B.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510777","3.128","","3.128","","3.42","","90","","90","","120","","28.979","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Nb Zr B4)0.5","","- B2 Nb0.5 Zr0.5 -","- B2 Nb0.5 Zr0.5 -","- B2 Nb0.5 Zr0.5 -","1","0.0416667","","Post, B.; Moskowitz, D.; Glaser, F.W.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510835","3.05","","3.05","","3.246","","90","","90","","120","","26.15","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Ta0.5 Ti0.5) B2","","- B2 Ta0.5 Ti0.5 -","- B2 Ta0.5 Ti0.5 -","- B2 Ta0.5 Ti0.5 -","1","0.0416667","","Moskowitz, D.; Glaser, F.W.; Post, B.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510837","3.12","","3.12","","3.4","","90","","90","","120","","28.663","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Ta0.5 Zr0.5) B2","","- B2 Ta0.5 Zr0.5 -","- B2 Ta0.5 Zr0.5 -","- B2 Ta0.5 Zr0.5 -","1","0.0416667","","Post, B.; Glaser, F.W.; Moskowitz, D.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510845","3.098","","3.098","","3.39","","90","","90","","120","","28.177","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Ti0.5 Zr0.5) B2","","- B2 Ti0.5 Zr0.5 -","- B2 Ti0.5 Zr0.5 -","- B2 Ti0.5 Zr0.5 -","1","0.0416667","","Glaser, F.W.; Post, B.; Moskowitz, D.","Transition metal diborides","Acta Metallurgica","1954","2","","20","25","10.1016/0001-6160(54)90090-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510962","10.9637","","10.9637","","23.9577","","90","","90","","120","","2493.96","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Cr7.55 B309.91","","- B309.91 Cr7.55 -","- B309.906 Cr7.554 -","- B309.906 Cr7.554 -","1","0.0277778","","Andersson, S.; Lundstroem, T.","The solubility of chromium in beta-rhombohedral boron as determined in Cr B41 by single-crystal diffractometry","Journal of Solid State Chemistry","1970","2","","603","611","10.1016/0022-4596(70)90057-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511155","9.37","","12.357","","3.055","","90","","90","","90","","353.723","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","(Fe0.625 Mg0.375)2 Fe (B O3) O2","","- B Fe2.25 Mg0.75 O5 -","- B Fe2.25 Mg0.75 O5 -","- B4 Fe9 Mg3 O20 -","4","0.5","","Takeuchi, Y.","The crystal structure of vonsenite","Mineralogical Journal (Japan)","1956","2","","19","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511275","6.493","","6.499","","6.242","","107.79","","107.42","","93.33","","236.037","","","","","","","","","","","","","3","P 1","P 1","1","","Sm (B O3)","","- B O3 Sm -","- B O3 Sm -","- B4 O12 Sm4 -","4","4","","Kuznetsova, V.G.; Dzhurinskii, B.F.; Palkina, K.K.; Butman, L.A.","The crystal structure of Sm B O3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1976","2","","286","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511474","5.0448","","13.1688","","13.3933","","90","","90.069","","90","","889.769","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Li4 (B4 Si8 O24)","","- B4 Li4 O24 Si8 -","- B4 Li4 O24 Si8 -","- B8 Li8 O48 Si16 -","2","1","","Parise, J.B.; Gier, T.E.","Hydrothermal synthesis and structure of Li4 B4 Si8 O24","International Journal of Inorganic Materials","2000","2","","81","86","10.1016/S1466-6049(99)00072-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511582","10.518","","10.518","","10.518","","90","","90","","90","","1163.59","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Co20 Mn3 B6","","- B6 Co20 Mn3 -","- B6 Co19.992 Mn3.008 -","- B24 Co79.968 Mn12.032 -","4","0.0208333","","Kuz'ma, Yu.B.; Plakhina, A.M.; Chepiga, M.V.","Phase equilibria in the Cr-Co-B, Mn-Fe-B, and Mn-Co-B systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1966","2","","1038","1043","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511584","10.513","","10.513","","10.513","","90","","90","","90","","1161.93","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Co21 Re2 B6","","- B6 Co21 Re2 -","- B6 Co21 Re2 -","- B24 Co84 Re8 -","4","0.0208333","","Kuz'ma, Yu.B.; Voroshilov, Yu.V.","New compounds with W2 Cr21 C6 -type structure in some ternary sytems with cobalt","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1966","2","","652","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511587","10.498","","10.498","","10.498","","90","","90","","90","","1156.96","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Co21 W2 B6","","- B6 Co21 W2 -","- B6 Co21 W2 -","- B24 Co84 W8 -","4","0.0208333","","Kuz'ma, Yu.B.; Voroshilov, Yu.V.","New compounds with W2Cr21C6-type structure in some ternary sytems with cobalt","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","652","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511617","9.796","","9.796","","7.96","","90","","90","","120","","661.517","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Ce Sc3 (B O3)4","","- B4 Ce O12 Sc3 -","- B4 Ce O12 Sc3 -","- B12 Ce3 O36 Sc9 -","3","0.166667","","Reynolds, T.A.; Peterson, G.A.; Keszler, D.A.","Stoichiometric, trigonal huntite borate Ce Sc3 (B O3)4","International Journal of Inorganic Materials","2000","2","","101","106","10.1016/S1466-6049(00)00011-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511696","3.079","","12.57","","3.018","","90","","90","","90","","116.806","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Co2 Mo B4","","- B4 Co2 Mo -","- B4 Co2 Mo -","- B8 Co4 Mo2 -","2","0.125","","Nych, O.V.; Skolozdra, R.V.; Kuz'ma, Yu.B.","Molybdenum-cobalt-boron system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1966","2","","1709","1712","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511754","9.819","","9.819","","7.987","","90","","90","","120","","666.882","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","La Sc3 (B O3)4","","- B4 La O12 Sc3 -","- B4 La O12 Sc3 -","- B12 La3 O36 Sc9 -","3","0.166667","","Lu, S.-F.; He, M.-Y.; Chen, W.-Z.; Lin, Z.-B.; Wang, G.-F.; Wu, Q.-J.","Structure of medium temperature phase beta-(La Sc3 (B O3)4) crystal","Materials Research Innovation","1999","2","","345","348","10.1007/s100190050112","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511755","7.74","","9.864","","12.066","","90","","105.48","","90","","887.789","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","La Sc3 (B O3)4","","- B4 La O12 Sc3 -","- B4 La O12 Sc3 -","- B16 La4 O48 Sc12 -","4","1","","Wang, G.-F.; Lu, S.-F.; Chen, W.-Z.; Wu, Q.-J.; He, M.-Y.; Lin, Z.-B.","Structure of low temperature phase gamma-(La Sc3 (B O3)4) crystal","Materials Research Innovation","1999","2","","341","344","10.1007/s100190050111","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511766","18.571","0.003","7.464","0.001","14.617","0.003","90","","90","","90","","2026.1","0.6","292","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H24 Cl2 N2 O12 Ru -","- C11 H24 Cl2 N2 O12 Ru -","- C44 H96 Cl8 N8 O48 Ru4 -","4","1","","Rosario Vilaplana; M. Angustias Romero; Miguel Quirós; Juan M. Salas; Francisco González-Vílchez","Synthesis, Structure and Antitumour Properties of a New 1,2-Propilenediaminetetraacetate-Ruthenium(III) Compound","Metal Based Drugs","1995","2","","211","219","10.1155/MBD.1995.211","","","0.71073","MoKα","","0.044","0.033","","","","0.033","","","","","","1.02","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512120","3.994","","3.994","","4.008","","90","","90","","90","","63.936","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","BST","Barium Strontium Titanate","","- Ba0.9 O3 Sr0.1 Ti -","- Ba O3 Sr Ti -","- Ba O3 Sr Ti -","1","0.125","","Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512121","3.989","","3.989","","3.995","","90","","90","","90","","63.569","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Barium strontium titanate","","- Ba0.8 O3 Sr0.2 Ti -","- Ba O3 Sr Ti -","- Ba O3 Sr Ti -","1","0.125","","Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512122","3.982","","3.982","","3.983","","90","","90","","90","","63.156","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Barium strontium titanate","","- Ba0.7 O3 Sr0.3 Ti -","- Ba O3 Sr Ti -","- Ba O3 Sr Ti -","1","0.125","","Natheer, B. Mahmood; Emad, K. Al-Shakarchi; Brahim, Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512123","3.956","","3.956","","3.956","","90","","90","","90","","61.911","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Barium Strontium Titanate","","- Ba0.5 O3 Sr0.5 Ti -","- Ba O3 Sr Ti -","- Ba O3 Sr Ti -","1","0.0208333","","Natheer, B. Mahmood; Emad, K. Al-Shakarchi; Brahim, Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512124","3.899","","3.899","","3.899","","90","","90","","90","","59.273","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","strontium titanate","","- O3 Sr Ti -","- O3 Sr Ti -","- O3 Sr Ti -","1","0.0208333","","Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512125","3.969","","3.969","","3.969","","90","","90","","90","","62.524","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Barium strontium titanate","","- Ba0.6 O3 Sr0.4 Ti -","- Ba O3 Sr Ti -","- Ba O3 Sr Ti -","1","0.0208333","","Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","267939","2021-08-04","12:05:23",""
"1515411","9.5922","0.0005","7.2501","0.0004","24.0793","0.0012","90","","95.81","0.002","90","","1665.98","0.15","200","","200","","","","","","","","local","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 -","- C21 H30 -","- C84 H120 -","4","1","","Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S.","Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes","Chemical Science","2011","2","2","229","","10.1039/c0sc00500b","","","0.71073","MoKα","","0.1161","0.0485","","0.1134","0.0948","0.1134","","","","","","0.9114","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515412","10.5317","0.0002","13.1456","0.0002","13.7434","0.0002","90","","90","","90","","1902.71","0.05","200","","200","","","","","","","","local","2","P b c n","-P 2n 2ab","60","","","","- C24 H34 -","- C24 H34 -","- C96 H136 -","4","0.5","","Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S.","Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes","Chemical Science","2011","2","2","229","","10.1039/c0sc00500b","","","0.71073","MoKα","","0.0563","0.0442","","0.1291","0.1249","0.1291","","","","","","0.9501","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515414","21.8777","0.0007","24.4332","0.0008","8.9667","0.0002","90","","90","","90","","4793.1","0.2","120","2","120","2","","","","","","","Stephen Moore","4","P c c n","-P 2ab 2ac","56","","","","- C12 H18 N2 O -","- C12 H18 N2 O -","- C192 H288 N32 O16 -","16","2","","Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A.","Structurally simple lipid bilayer transport agents for chloride and bicarbonate","Chemical Science","2011","2","2","256","","10.1039/c0sc00503g","","","0.71073","MoKα","","0.1841","0.1143","","","0.1725","0.2013","","","","","","1.153","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515415","29.2158","0.0005","29.2158","0.0005","7.5897","0.0002","90","","90","","90","","6478.3","0.2","120","2","120","2","","","","","","","Calley Haynes","4","I 41/a :2","-I 4ad","88","","","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C224 H304 N48 S16 -","16","1","","Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A.","Structurally simple lipid bilayer transport agents for chloride and bicarbonate","Chemical Science","2011","2","2","256","","10.1039/c0sc00503g","","","0.71073","MoKα","","0.106","0.0815","","","0.1815","0.193","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515416","10.8887","0.0004","22.7188","0.0008","17.5682","0.0006","90","","95.413","0.001","90","","4326.6","0.3","100","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 N4 O2 Pd -","- C50 H56 N4 O2 Pd -","- C200 H224 N16 O8 Pd4 -","4","1","","Konnick, Michael M.; Decharin, Nattawan; Popp, Brian V.; Stahl, Shannon S.","O2 insertion into a palladium(ii)-hydride bond: Observation of mechanistic crossover between HX-reductive-elimination and hydrogen-atom-abstraction pathways","Chemical Science","2011","2","2","326","","10.1039/c0sc00392a","","","0.71073","MoKα","","0.0386","0.0301","","","0.0756","0.0784","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515417","15.022","0.003","18.047","0.004","20.367","0.004","105.35","0.004","111.153","0.004","100.049","0.004","4736.7","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H96 B Cl3 F24 N4 Ni2 -","- C100 H96 B Cl3 F24 N4 Ni2 -","- C200 H192 B2 Cl6 F48 N8 Ni4 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.1157","0.069","","","0.1728","0.1866","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515418","13.729","0.005","17.963","0.006","20.822","0.007","69.525","0.006","73.169","0.006","82.761","0.006","4603","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H96 B Cl3 F24 N4 Ni2 Si -","- C91 H96 B Cl3 F24 N4 Ni2 Si -","- C182 H192 B2 Cl6 F48 N8 Ni4 Si2 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0765","0.0493","","","0.1105","0.123","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515419","12.531","0.0011","17.5339","0.0015","21.5138","0.0018","106.672","0.001","104.999","0.002","91.05","0.002","4352","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H84 B Cl F24 N4 Ni2 O2 -","- C88 H84 B Cl F24 N4 Ni2 O2 -","- C176 H168 B2 Cl2 F48 N8 Ni4 O4 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0619","0.0464","","","0.1012","0.1064","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515420","20.61","0.003","12.802","0.0015","30.984","0.004","90","","95.837","0.002","90","","8132.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 B F24 N5 Ni -","- C74 H69 B F24 N5 Ni -","- C296 H276 B4 F96 N20 Ni4 -","4","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0792","0.0555","","","0.1402","0.1491","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515421","12.378","0.0007","11.7627","0.0007","24.4212","0.0014","90","","92.43","0.001","90","","3552.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22.27 H24.8 Cl0.47 N2 -","- C22.2666 H24.7998 Cl0.4668 N2 -","- C178.133 H198.398 Cl3.7344 N16 -","8","2","","Zhang, Chen; Das, Deepankar; Seidel, Daniel","Azomethine ylide annulations: facile access to polycyclic ring systems","Chemical Science","2011","2","2","233","","10.1039/c0sc00432d","","","0.71073","MoKα","","0.0738","0.0577","","","0.1353","0.1444","","","","","","1.008","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515422","8.9485","0.0005","12.2725","0.0007","17.1292","0.001","90","","93.113","0.001","90","","1878.36","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Zhang, Chen; Das, Deepankar; Seidel, Daniel","Azomethine ylide annulations: facile access to polycyclic ring systems","Chemical Science","2011","2","2","233","","10.1039/c0sc00432d","","","0.71073","MoKα","","0.0505","0.0453","","","0.1115","0.1152","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515423","6.848","0.0014","11.736","0.002","12.384","0.003","65.95","0.03","79.94","0.03","76.84","0.03","881.2","0.4","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 Cl2 N5 O2 Pt -","- C13 H17 Cl2 N5 O2 Pt -","- C26 H34 Cl4 N10 O4 Pt2 -","2","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0224","0.0205","","","0.05","0.0509","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515424","12.588","0.002","18.736","0.003","20.805","0.004","90","","106.39","0.02","90","","4707.4","1.5","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14.33 Cl2 N5 O0.67 Pt -","- C13 H13 Cl2 N5 O0.666667 Pt -","- C156 H156 Cl24 N60 O8 Pt12 -","12","3","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0806","0.0343","","","0.0693","0.0836","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515425","10.669","0.002","10.411","0.002","15.689","0.003","90","","108.89","0.03","90","","1648.8","0.6","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl2 N5 O4 Pt -","- C13 H13 Cl2 N5 O4 Pt -","- C52 H52 Cl8 N20 O16 Pt4 -","4","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0201","0.0187","","","0.0479","0.0484","","","","","","1.188","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1515426","9.474","0.0003","7.1809","0.0002","27.9371","0.0008","90","","91.94","0.001","90","","1899.52","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl2 N5 O3 Pt S -","- C13 H19 Cl2 N5 O3 Pt S -","- C52 H76 Cl8 N20 O12 Pt4 S4 -","4","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","1.54178","CuKα","","0.0483","0.0463","","","0.1183","0.12","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515427","14.7922","0.0003","17.7744","0.0004","18.0925","0.0004","90","","98.265","0.001","90","","4707.52","0.18","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H65 F3 Si2 -","- C57 H65 F3 Si2 -","- C228 H260 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.1048","0.0812","","","0.2001","0.225","","","","","","1.06","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515428","9.0009","0.0002","12.9917","0.0003","33.9922","0.001","90","","96.2183","0.0011","90","","3951.56","0.17","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C180 H212 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","0.71073","MoKα","","0.1525","0.0587","","","0.1219","0.155","","","","","","0.974","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515429","7.3935","0.0002","7.7475","0.0002","17.3713","0.0004","96.23","0.001","100.619","0.001","94.648","0.001","967.02","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H53 N O2 Si2 -","- C44 H53 N O2 Si2 -","- C44 H53 N O2 Si2 -","1","0.5","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.0826","0.0736","","","0.19","0.1962","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515430","7.7521","0.0002","15.8341","0.0004","17.6273","0.0005","70.941","0.001","80.257","0.001","81.988","0.001","2007.37","0.09","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C90 H106 F6 Si4 -","2","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.0781","0.0675","","","0.1606","0.1684","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515431","13.6256","0.0004","28.5329","0.0007","10.5392","0.0003","90","","101.974","0.001","90","","4008.26","0.19","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C180 H212 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.1192","0.0878","","","0.2056","0.2273","","","","","","1.022","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515432","9.536","0.0015","10.7745","0.0017","21.214","0.003","87.903","0.002","87.712","0.003","88.606","0.002","2175.9","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(Bob)Ti(O2C12H4Me4) . 0.5 C6H14","(2,2'-Biphenylbis(4-p-tolyl-2,4-butanedionato))- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) hemihexane solvate","","- C53 H51 O6 Ti -","- C53 H51 O6 Ti -","- C106 H102 O12 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.7749","synchrotron","","0.0677","0.04","","","0.0927","0.1056","","","","","","1.003","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515433","12.0648","0.0005","12.6467","0.0005","14.4497","0.0014","109.368","0.0014","96.4954","0.0015","106.998","0.0017","1934.4","0.2","99","2","99","2","","","","","","","","7","P -1","-P 1","2","(Hob)Ti(O2C12H4Me4) . CDCl3","(2'-(4-p-tolyl-2,4-butanedionato)-biphenyl-2-N-methylacetohydroxamato)- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) deuteriochloroform solvate","","- C43 H39 Cl3 D N O6 Ti -","- C43 H40 Cl3 N O6 Ti -","- C86 H80 Cl6 N2 O12 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0473","0.0374","","","0.0932","0.0993","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515434","11.2931","0.0004","13.344","0.0005","15.1141","0.0006","96.792","0.002","102.423","0.002","93.434","0.003","2200.11","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Hob)Ti(O2C12H4[NO2]4) . 2 CHCl3","(2'-(4-p-tolyl-2,4-butanedionato)-biphenyl-2-N-methylacetohydroxamato)- (3,3',5,5'-tetranitrobiphenyl-2,2'-diolato)titanium(IV) dichloroform solvate","","- C40 H29 Cl6 N5 O14 Ti -","- C40 H29 Cl6 N5 O14 Ti -","- C80 H58 Cl12 N10 O28 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0746","0.0449","","","0.102","0.115","","","","","","1.024","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515435","12.3148","0.0013","13.2234","0.0014","20.372","0.002","90","","94.795","0.0016","90","","3305.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(Hox)Ti(O2C12H4Me4) . CD2Cl2","(2,2'-Biphenylbis(N-methylacetohydroxamato))- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) deuterodichloromethane solvate","","- C35 H34 Cl2 D2 N2 O6 Ti -","- C35 H36 Cl2 N2 O6 Ti -","- C140 H144 Cl8 N8 O24 Ti4 -","4","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0392","0.0307","","","0.0792","0.0846","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515436","11.6322","0.0006","5.663","0.0003","13.3325","0.0006","90","","102.479","0.001","90","","857.51","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C42 H36 O4 S2 -","2","1","","Liu, Yu; Ma, Shengming","Unique reactivity of Grignard reagents towards cyclopropenyl-carboxylates—highly selective carbon–carbon bond cleavage","Chemical Science","2011","2","4","811","","10.1039/c0sc00584c","","","0.71073","MoKα","","0.0322","0.0316","","","0.0831","0.0835","","","","","","1.14","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515437","10.4567","0.0003","14.5947","0.0004","16.071","0.0004","82.184","0.001","80.017","0.001","70.323","0.001","2266.47","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 I O4 S -","- C24 H20.5 I O4 S -","- C96 H82 I4 O16 S4 -","4","2","","Liu, Yu; Ma, Shengming","Unique reactivity of Grignard reagents towards cyclopropenyl-carboxylates—highly selective carbon‒carbon bond cleavage","Chemical Science","2011","2","4","811","","10.1039/c0sc00584c","","","0.71073","MoKα","","0.0298","0.0262","","","0.0667","0.0703","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515438","13.992","0.003","11.424","0.002","18.291","0.004","90","","101.06","0.03","90","","2869.4","1.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(trop2NH)(OOCCF3)] x [THF]","Nickel bis(5-H-dibenzo[a,d]cyclohepten-5-yl)-amine trifluoroacetate","","- C36 H31 F3 N Ni O3 -","- C36 H31 F3 N Ni O3 -","- C144 H124 F12 N4 Ni4 O12 -","4","1","","Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg","Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes","Chemical Science","2011","2","4","723","","10.1039/c0sc00483a","","x-ray","0.71073","MoKα","","0.0495","0.0405","","","0.0957","0.101","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515439","11.413","0.0011","12.0679","0.0011","14.4208","0.0013","98.677","0.002","95.682","0.002","114.432","0.002","1758.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Nickel bis(5-H-dibenzo(a,d)cyclohepten-5-yl)-amine triphenylphosphane","Nickel bis(5-H-dibenzo[a,d]cyclohepten-5-yl)-amine triphenylphosphane","","- C48 H38 N Ni P -","- C48 H38 N Ni P -","- C96 H76 N2 Ni2 P2 -","2","1","","Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg","Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes","Chemical Science","2011","2","4","723","","10.1039/c0sc00483a","","x-ray","0.71073","MoKα","","0.053","0.0434","","","0.1099","0.1157","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515440","13.4561","0.0003","7.103","0.0002","13.8346","0.0004","90","","109.73","0.03","90","","1244.7","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4-chlorophenyl-4'-nitrophenyl disulfide","4-chlorophenyl-4'-nitrophenyl disulfide","","- C12 H8 Cl N O2 S2 -","- C12 H8 Cl N O2 S2 -","- C48 H32 Cl4 N4 O8 S8 -","4","1","","Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M.","Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis","Chemical Science","2011","2","4","696","","10.1039/c0sc00533a","","","0.71073","MoKα","","0.048","0.0348","","","0.0898","0.0955","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515441","7.6164","0.0002","5.7256","0.0002","14.7508","0.0005","90","","94.881","0.002","90","","640.93","0.04","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(4-methylphenyl)disulfide","bis(4-methylphenyl)disulfide","","- C14 H14 S2 -","- C14 H14 S2 -","- C28 H28 S4 -","2","1","","Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M.","Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis","Chemical Science","2011","2","4","696","","10.1039/c0sc00533a","","","0.71073","MoKα","","0.0503","0.038","","","0.0833","0.0901","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515442","35.2292","0.0014","20.7057","0.0007","34.2007","0.001","90","","104.74","0.002","90","","24126.5","1.5","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C254 H114 F24 Fe4 N34 O32 S16 -","- C148 H114 Fe4 N26 -","- C592 H456 Fe16 N104 -","4","1","","Hristova, Yana R.; Smulders, Maarten M. J.; Clegg, Jack K.; Breiner, Boris; Nitschke, Jonathan R.","Selective anion binding by a “Chameleon” capsule with a dynamically reconfigurable exterior","Chemical Science","2011","2","4","638","","10.1039/c0sc00495b","","","0.71073","MoKα","","0.1441","0.1134","","","0.2964","0.3177","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515443","26.876","0.005","38.443","0.008","22.391","0.005","90","","94.44","0.03","90","","23065","8","180","2","180","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C169 H123 F45 Fe4 N36 O31 S10 -","- C159 H123 F15 Fe4 N31 O11 S5 -","- C636 H492 F60 Fe16 N124 O44 S20 -","4","1","","Hristova, Yana R.; Smulders, Maarten M. J.; Clegg, Jack K.; Breiner, Boris; Nitschke, Jonathan R.","Selective anion binding by a “Chameleon” capsule with a dynamically reconfigurable exterior","Chemical Science","2011","2","4","638","","10.1039/c0sc00495b","","","0.71073","MoKα","","0.1465","0.1069","","","0.2794","0.3103","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515444","12.4376","0.0004","6.2473","0.0002","14.2135","0.0005","90","","93.459","0.002","90","","1102.4","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","HF111A9B9","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0628","0.0457","","","0.0889","0.0975","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515445","13.0268","0.0005","6.8021","0.0003","12.7876","0.0006","90","","105.286","0.003","90","","1093.02","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","HF126A14cris","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0701","0.0419","","","0.0868","0.1002","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515446","16.985","0.003","5.1183","0.0009","12.565","0.002","90","","103.577","0.003","90","","1061.8","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","HF176A10B15","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0541","0.0398","","","0.0954","0.1041","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515447","7.3695","0.0005","47.261","0.003","11.0525","0.0006","90","","90.47","0.004","90","","3849.3","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 N O3 Si -","- C18 H31 N O3 Si -","- C144 H248 N8 O24 Si8 -","8","2","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.1441","0.0846","","","0.159","0.1836","","","","","","1.101","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515448","7.7628","0.0009","11.1348","0.0013","32.262","0.004","90","","90","","90","","2788.6","0.6","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.0582","0.0423","","","0.109","0.128","","","","","","1.182","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515449","11.93","0.002","8.5702","0.0015","30.278","0.005","90","","90","","90","","3095.7","0.9","100","2","100","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.1036","0.0644","","","0.1515","0.1788","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515450","8.2299","0.0002","9.6964","0.0002","23.9162","0.0006","90","","90","","90","","1908.52","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","FL008t17cris","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0623","0.0428","","","0.0887","0.0979","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515451","8.2075","0.0003","9.8258","0.0004","24.0803","0.0007","90","","90","","90","","1941.96","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","HF250a784","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0701","0.0514","","","0.1023","0.111","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515452","17.027","0.003","9.5242","0.0019","18.442","0.004","90","","104.05","0.03","90","","2901.2","1.1","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Br2 Cu N4 O4 S2 -","- C30 H20 Br2 Cu N4 O4 S2 -","- C120 H80 Br8 Cu4 N16 O16 S8 -","4","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.1035","0.0497","","","0.1119","0.1182","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515453","7.5438","0.0008","9.0878","0.0009","11.3719","0.0012","85.485","0.006","78.375","0.006","69.76","0.005","716.44","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Hdapp","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71069","MoKα","","0.0676","0.0459","","","0.1173","0.1281","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515454","12.965","0.0017","14.378","0.0018","12.9795","0.0016","90","","90.445","0.008","90","","2419.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hzapp","","","- C12.5 H15 N2 O3 -","- C12.5 H15 N2 O3 -","- C100 H120 N16 O24 -","8","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0809","0.043","","","0.0952","0.1124","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515455","12.997","0.0012","15.328","0.0017","9.0063","0.0008","90","","110.181","0.004","90","","1684.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cudapp2","","","- C30 H32 Cl6 Cu N4 O4 -","- C30 H32 Cl6 Cu N4 O4 -","- C60 H64 Cl12 Cu2 N8 O8 -","2","0.5","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0682","0.038","","","0.0854","0.1","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515456","11.368","0.002","11.457","0.002","12.809","0.002","67.679","0.01","76.787","0.011","74.165","0.011","1470","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Hbt6p","","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0581","0.0386","","","0.0864","0.0947","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515457","8.2835","0.0004","13.979","0.0007","10.5581","0.0005","90","","90.255","0.002","90","","1222.56","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0453","0.0366","","","0.0882","0.0931","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515458","10.3006","0.0012","7.8737","0.001","13.7999","0.0016","90","","93.837","0.004","90","","1116.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0365","0.0332","","","0.086","0.0882","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515459","7.7458","0.0009","16.433","0.002","12.0999","0.0014","90","","103.182","0.004","90","","1499.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cu N4 O6 S2 -","- C28 H34 Cu N4 O6 S2 -","- C56 H68 Cu2 N8 O12 S4 -","2","0.5","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0434","0.0346","","","0.0934","0.0979","","","","","","1.07","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515460","4.8231","0.0002","8.3044","0.0003","14.264","0.0006","96.566","0.002","97.473","0.002","92.996","0.002","561.44","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","1","0.5","","Iengo, Elisabetta; Pantoş, G. Dan; Sanders, Jeremy K. M.; Orlandi, Michele; Chiorboli, Claudio; Fracasso, Sandro; Scandola, Franco","A fully self-assembled non-symmetric triad for photoinduced charge separation","Chemical Science","2011","2","4","676","","10.1039/c0sc00520g","","","0.71073","MoKα","","0.1532","0.0966","","","0.2574","0.305","","","","","","1.038","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515461","13.381","0.003","14.391","0.003","16.034","0.003","90","","111.16","0.03","90","","2879.4","1.2","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 F6 N4 P Pt -","- C27 H31 F6 N4 P Pt -","- C108 H124 F24 N16 P4 Pt4 -","4","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","0.71073","MoKα","","0.0599","0.0372","","","0.0904","0.0994","","","","","","0.736","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515462","8.652","0.002","11.015","0.002","14.031","0.003","90.68","0.03","98.09","0.03","90.57","0.03","1323.7","0.5","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 I3 N4 Pt -","- C23 H23 I3 N4 Pt -","- C46 H46 I6 N8 Pt2 -","2","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","0.71073","MoKα","","0.0595","0.0407","","","0.1022","0.1095","","","","","","0.899","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515463","18.526","0.004","22.046","0.004","23.559","0.005","90","","90","","90","","9622","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H46 F12 N8 P2 Pt2 -","- C47 H46 F12 N8 P2 Pt2 -","- C376 H368 F96 N64 P16 Pt16 -","8","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","1.54178","CuKα","","0.0539","0.0433","","","0.1026","0.1107","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515464","16.7865","0.0017","9.2933","0.0006","36.414","0.005","90","","91.02","0.012","90","","5679.8","1","173","2","173","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C42 H28 -","- C42 H28 -","- C336 H224 -","8","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1435","0.0553","","","0.0946","0.1135","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515465","9.485","0.0008","9.683","0.0009","15.5796","0.0014","79.592","0.008","83.901","0.007","85.662","0.007","1397","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H28 -","- C40 H28 -","- C80 H56 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0573","0.0378","","","0.0823","0.0866","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515466","17.2911","0.001","9.0613","0.0005","18.1015","0.001","90","","94.72","0.006","90","","2826.5","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1703","0.0785","","","0.0949","0.109","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515467","9.1633","0.0008","28.882","0.003","19.778","0.002","90","","101.303","0.01","90","","5132.8","0.9","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 -","- C36 H26 -","- C288 H208 -","8","2","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1884","0.0752","","","0.1445","0.1753","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515468","9.4375","0.0008","9.5683","0.0007","15.5001","0.0012","83.076","0.006","81.063","0.007","85.554","0.007","1370.13","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H27 N -","- C38 H27 N -","- C76 H54 N2 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0488","0.0404","","","0.1066","0.1105","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515469","9.3196","0.0005","9.3671","0.0005","14.8298","0.0008","88.746","0.004","86.17","0.004","75.274","0.004","1249.27","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 N -","- C35 H25 N -","- C70 H50 N2 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0637","0.0453","","","0.1161","0.1247","","","","","","1.025","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515470","11.0629","0.0004","13.661","0.0005","15.0564","0.0006","93.282","0.002","107.469","0.002","106.87","0.002","2050.98","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77.5 H86 Cl10.2 S10 -","- C77.47 H86 Cl10.192 S10 -","- C77.47 H86 Cl10.192 S10 -","1","0.5","","Zhang, Fan; Götz, Günther; Mena-Osteritz, Elena; Weil, Matthias; Sarkar, Biprajit; Kaim, Wolfgang; Bäuerle, Peter","Molecular and electronic structure of cyclo[10]thiophene in various oxidation states: polaron pair vs. bipolaron","Chemical Science","2011","2","4","781","","10.1039/c0sc00560f","","","0.71073","MoKα","","0.1242","0.0775","","","0.1857","0.2188","","","","","","1.032","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515471","25.617","0.004","71.86","0.012","26.909","0.005","90","","92.466","0.004","90","","49489","15","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C468 H298 Cl8 N16 Ni4 S4 -","- C468 H298 Cl8 N16 Ni4 S4 -","- C1872 H1192 Cl32 N64 Ni16 S16 -","4","0.5","","Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro","A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60","Chemical Science","2011","2","4","748","","10.1039/c0sc00605j","","","0.71073","MoKα","","0.178","0.1191","","","0.2915","0.3194","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515472","41.392","0.014","41.392","0.014","22.518","0.007","90","","90","","90","","38580","2","90","2","90","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C264 H288 N16 S4 Zn4 -","- C264 H288 N16 S4 Zn4 -","- C1056 H1152 N64 S16 Zn16 -","4","0.25","","Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro","A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60","Chemical Science","2011","2","4","748","","10.1039/c0sc00605j","","","0.71069","MoKα","","0.2196","0.086","","","0.211","0.2413","","","","","","0.715","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515473","7.7381","0.0004","7.317","0.0004","14.5532","0.0008","90","","91.323","0.002","90","","823.78","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O2 S -","- C18 H21 N3 O2 S -","- C36 H42 N6 O4 S2 -","2","1","","Albrecht, Łukasz; Albrecht, Anna; Ransborg, Lars Krogager; Jørgensen, Karl Anker","Asymmetric organocatalytic [3 + 2]-annulation strategy for the synthesis of N-fused heteroaromatic compounds","Chemical Science","2011","2","7","1273","","10.1039/c1sc00122a","","x-ray","0.71073","MoKα","","0.0243","0.0239","","","0.0652","0.0656","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515474","7.8404","0.0007","10.9935","0.001","20.087","0.0018","90","","90","","90","","1731.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Yin, Qin; You, Shu-Li","Chiral phosphoric acid-catalysed Friedel–Crafts alkylation reaction of indoles with racemic spiro indolin-3-ones","Chemical Science","2011","2","7","1344","","10.1039/c1sc00190f","","","0.71073","MoKα","","0.0764","0.0459","","","0.1043","0.1173","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515475","8.4351","0.0009","28.233","0.003","8.7547","0.0009","90","","107.59","0.002","90","","1987.4","0.4","148","2","148","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Hf P -","- C22 H28 Hf P -","- C88 H112 Hf4 P4 -","4","1","","Waterman, Rory; Tilley, T. Don","Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange","Chemical Science","2011","2","7","1320","","10.1039/c1sc00119a","","","0.71073","MoKα","","0.0443","0.034","","","0.0819","0.0862","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515476","11.699","0.003","15.37","0.004","45.229","0.011","90","","90","","90","","8133","4","139","2","139","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H69 P5 Pt2 -","- C34 H69 P5 Pt2 -","- C272 H552 P40 Pt16 -","8","1","","Waterman, Rory; Tilley, T. Don","Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange","Chemical Science","2011","2","7","1320","","10.1039/c1sc00119a","","","0.71073","MoKα","","0.1243","0.0482","","","0.0799","0.0965","","","","","","0.884","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515477","11.8193","0.0005","11.4475","0.0005","19.9444","0.0008","90","","97.77","0.003","90","","2673.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MJC-4-153-M","toste38","","- C30 H25 Cl N2 O4 S -","- C30 H25 Cl N2 O4 S -","- C120 H100 Cl4 N8 O16 S4 -","4","1","","Campbell, Matthew J.; Toste, F. Dean","Enantioselective synthesis of cyclic carbamimidates via a three-component reaction of imines, terminal alkynes, and p-toluenesulfonylisocyanate using a monophosphine gold(I) catalyst().","Chemical science (Royal Society of Chemistry : 2010)","2011","2","7","1369","1378","10.1039/C1SC00160D","","","1.54178","CuKα","","0.0599","0.0467","","","0.1008","0.1061","","","","","","1.096","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515478","22.6849","0.0012","37.2467","0.0018","45.91","0.003","90","","90","","90","","38791","4","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C120 H196 Dy6 Mn12 N8 O93 -","- C116 H140 Dy6 Mn12 N8 O69 -","- C928 H1120 Dy48 Mn96 N64 O552 -","8","0.25","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.1483","0.0725","","","0.1795","0.2274","","","","","","0.919","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515479","19.7904","0.0005","21.4477","0.0004","26.7375","0.0006","95.344","0.001","97.864","0.001","115.293","0.001","10017.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H212 Dy6 Mn12 N8 O99 -","- C128 H137 Dy6 Mn12 N8 O71 -","- C256 H274 Dy12 Mn24 N16 O142 -","2","1","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.0746","0.0546","","","0.1539","0.1642","","","","","","1.134","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515480","19.8997","0.0009","21.3603","0.0011","26.7219","0.0012","95.001","0.001","97.626","0.001","115.09","0.001","10064.7","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H198 Mn12 N8 O90 Y6 -","- C127 H131 Mn12 N8 O71 Y6 -","- C254 H262 Mn24 N16 O142 Y12 -","2","1","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.2029","0.0868","","","0.2224","0.271","","","","","","0.855","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515481","16.022","0.005","10.006","0.002","17.448","0.004","90","","95.44","0.005","90","","2784.6","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 N8 O2 -","- C29 H36 N8 O2 -","- C116 H144 N32 O8 -","4","2","","Fuentes, José A.; Lebl, Tomas; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Synthesis of organocatalysts using non-covalent chemistry; understanding the reactivity of ProNap, an enamine-type organocatalyst that can self assemble with complementary co-catalysts","Chemical Science","2011","2","10","1997","","10.1039/c1sc00299f","","","1.54178","CuKα","","0.0727","0.0588","","","0.148","0.1645","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515482","15.45","0.005","11.362","0.005","19.951","0.005","90","0.005","106.933","0.005","90","0.005","3350","2","113","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Co2 Mo O2 S4 -","- C34 H38 Co2 Mo O2 S4 -","- C136 H152 Co8 Mo4 O8 S16 -","4","1","","Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Tsukada, Satoru; Tada, Mizuki; Tsuneyuki, Shinji; Nishihara, Hiroshi","Normal and inverted redox potentials and structural changes tuned by medium effects in [M2Mo(η5-C5Me5)2(S2C6H4)2(CO)2] (M: Co, Rh)","Chemical Science","2011","2","10","1960","","10.1039/c1sc00272d","","","0.71069","MoKα","","","0.0208","","","","0.0506","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515483","8.5511","0.0003","7.0723","0.0003","16.9235","0.0006","90","","93.189","0.003","90","","1021.88","0.07","233","2","233","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","anti-4,5-tetrahydro-2,3;6,7,2,3;6,7-tetrabenzoheptafulvalene","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Luo, Jiye; Song, Kesheng; Gu, Feng long; Miao, Qian","Switching of non-helical overcrowded tetrabenzoheptafulvalene derivatives","Chemical Science","2011","2","10","2029","","10.1039/c1sc00340b","","","0.7107","MoKα","","0.045","0.0345","","","0.0884","0.0925","","","","","","1.04","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515484","10.0613","0.0008","15.6693","0.0008","17.3989","0.0012","90","","105.143","0.008","90","","2647.8","0.3","293","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","syn-2,3;4,5;6,7;2,3;4,5;6,7-hexabenzoheptafulvalene","","- C38 H24 -","- C38 H24 -","- C152 H96 -","4","1","","Luo, Jiye; Song, Kesheng; Gu, Feng long; Miao, Qian","Switching of non-helical overcrowded tetrabenzoheptafulvalene derivatives","Chemical Science","2011","2","10","2029","","10.1039/c1sc00340b","","","0.7107","MoKα","","0.0793","0.0532","","","0.1163","0.1377","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515485","10.9072","0.0005","5.7181","0.0002","12.633","0.0005","90","","108.259","0.005","90","","748.23","0.06","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H3 Mn3 O9 -","- C3 H3 Mn3 O9 -","- C12 H12 Mn12 O36 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0674","0.0348","","","0.0648","0.0797","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515486","5.8745","0.0003","7.4316","0.0005","7.9227","0.0005","90","","92.414","0.004","90","","345.57","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C2 H3 Mn O3 -","- C2 H3 Mn O3 -","- C8 H12 Mn4 O12 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","","0.71073","MoKα","","0.0434","0.0302","","","0.0669","0.0707","","","","","","1.197","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515487","8.1023","0.0002","9.3777","0.0003","12.5161","0.0004","90","","103.948","0.002","90","","922.95","0.05","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Mn2 O6 -","- C6 H10 Mn2 O6 -","- C24 H40 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0367","0.0337","","","0.073","0.0755","","","","","","1.185","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515488","8.1123","0.001","9.3629","0.0011","13.462","0.0018","90","","94.88","0.007","90","","1018.8","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 Mn2 O6 -","- C7 H12 Mn2 O6 -","- C28 H48 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0992","0.0915","","","0.2423","0.252","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515489","5.0589","0.0002","10.5756","0.0006","19.1948","0.0008","79.883","0.003","87.442","0.003","85.762","0.003","1007.68","0.08","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H20 Mn4 O14 -","- C15 H20 Mn4 O14 -","- C30 H40 Mn8 O28 -","2","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","","0.71073","MoKα","","0.0788","0.0667","","","0.158","0.1697","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515490","5.0585","0.0003","12.4647","0.0007","20.8241","0.0009","90.848","0.004","90.047","0.004","90.77","0.005","1312.75","0.12","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H32 Mn4 O14 -","- C21 H32 Mn4 O14 -","- C42 H64 Mn8 O28 -","2","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","1.5418","CuKα","","0.0807","0.0709","","","0.1955","0.2035","","","","","","1.127","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515491","14.215","0.0004","9.7664","0.0003","16.4588","0.0005","90","","90","","90","","2284.96","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H35 Cl2 Cr N4 O10 -","- C15 H35 Cl2 Cr N4 O10 -","- C60 H140 Cl8 Cr4 N16 O40 -","4","0.5","","Cho, Jaeheung; Woo, Jaeyoung; Eun Han, Jung; Kubo, Minoru; Ogura, Takashi; Nam, Wonwoo","Chromium(v)-oxo and chromium(iii)-superoxo complexes bearing a macrocyclic TMC ligand in hydrogen atom abstraction reactions","Chemical Science","2011","2","10","2057","","10.1039/c1sc00386k","","","0.71073","MoKα","","0.0531","0.0486","","","0.2021","0.2095","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515492","19.7916","0.0003","20.7295","0.0003","22.2512","0.0003","90.5711","0.0012","99.966","0.0013","117.623","0.0015","7923.7","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C158 H162 Cl6 N10 O6 Zn2 -","- C158 H162 Cl6 N10 O6 Zn2 -","- C316 H324 Cl12 N20 O12 Zn4 -","2","1","","Langton, Matthew J.; Matichak, Jonathan D.; Thompson, Amber L.; Anderson, Harry L.","Template-directed synthesis of π-conjugated porphyrin [2]rotaxanes and a [4]catenane based on a six-porphyrin nanoring","Chemical Science","2011","2","10","1897","","10.1039/c1sc00358e","","","1.5418","CuKα","","0.1253","0.1145","","0.3572","0.336","0.3572","","","","","","0.9654","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515493","6.6796","0.0004","9.2556","0.0006","31.8029","0.0019","90","","90","","90","","1966.2","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br N O6 -","- C19 H24 Br N O6 -","- C76 H96 Br4 N4 O24 -","4","1","","Bartelson, Keith J.; Singh, Ravi P.; Foxman, Bruce M.; Deng, Li","Catalytic Asymmetric [4 + 2] Additions with Aliphatic Nitroalkenes.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","10","1940","1944","10.1039/c1sc00326g","","","0.71073","MoKα","","0.0884","0.0826","","0.2147","0.2123","0.2147","","","","","","1.0277","","","","has coordinates","288252","2023-12-12","14:26:14",""
"1515494","12.5561","0.0005","12.803","0.0005","16.3869","0.0007","83.594","0.001","83.917","0.001","75.088","0.001","2521.48","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl2 N2 O5 -","- C26 H24 Cl2 N2 O5 -","- C104 H96 Cl8 N8 O20 -","4","2","","Ding, Miao; Zhou, Feng; Liu, Yun-Lin; Wang, Cui-Hong; Zhao, Xiao-Li; Zhou, Jian","Cinchona alkaloid-based phosphoramide catalyzed highly enantioselective Michael addition of unprotected 3-substituted oxindoles to nitroolefins","Chemical Science","2011","2","10","2035","","10.1039/c1sc00390a","","","0.71073","MoKα","","0.0607","0.046","","","0.1168","0.1326","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515495","21.9504","0.0013","8.4448","0.0005","18.7468","0.0011","90","","90","","90","","3475","0.4","143","2","143","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H56 Lu2 N2 -","- C38 H56 Lu2 N2 -","- C152 H224 Lu8 N8 -","4","1","","Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","(C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn","Chemical Science","2011","2","10","1992","","10.1039/c1sc00139f","","","0.71073","MoKα","","0.0173","0.0167","","","0.0405","0.0407","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515496","10.6716","0.0011","10.9978","0.0011","16.7386","0.0017","77.9317","0.0013","77.8776","0.0013","83.5536","0.0013","1873.4","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 N2 Y2 -","- C40 H60 N2 Y2 -","- C80 H120 N4 Y4 -","2","1","","Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","(C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn","Chemical Science","2011","2","10","1992","","10.1039/c1sc00139f","","","0.71073","MoKα","","0.0641","0.0459","","","0.1106","0.1189","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515497","9.217","0.005","11.524","0.004","15.597","0.006","100.75","0.014","105.128","0.017","110.659","0.017","1423.5","1.1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 S4 -","- C34 H28 S4 -","- C68 H56 S8 -","2","1","","Mitamura, Yukihiro; Yorimitsu, Hideki; Oshima, Koichiro; Osuka, Atsuhiro","Straightforward access to aryl-substituted tetrathiafulvalenes by palladium-catalysed direct C–H arylation and their photophysical and electrochemical properties","Chemical Science","2011","2","10","2017","","10.1039/c1sc00372k","","","0.71075","MoKα","","0.0424","0.0342","","","0.0948","0.0992","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515498","29.1152","0.0008","11.5743","0.0003","15.8437","0.0004","90","","114.799","0.001","90","","4846.8","0.2","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 I2 N O4 S -","- C21 H31 I2 N O4 S -","- C168 H248 I16 N8 O32 S8 -","8","1","","Sampath, Magesh; Lee, Pei-Ying Beatrix; Loh, Teck-Peng","Phosphine-catalyzed one-pot isomerization of 3-alkynoates and [2 + 3]-cycloaddition with imines: formal synthesis of Securinega alkaloid (±)-allosecurinine","Chemical Science","2011","2","10","1988","","10.1039/c1sc00311a","","","0.71073","MoKα","","0.0471","0.0314","","","0.072","0.0798","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515499","6.1156","0.0012","21.353","0.004","15.092","0.003","90","","95.378","0.003","90","","1962.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N O2 -","- C25 H18 Br N O2 -","- C100 H72 Br4 N4 O8 -","4","1","","Li, Bi-Jie; Shi, Zhang-Jie","Ir-catalyzed highly selective addition of pyridyl C–H bonds to aldehydes promoted by triethylsilane","Chemical Science","2011","2","3","488","","10.1039/c0sc00419g","","","0.71073","MoKα","","0.0631","0.0565","","","0.1094","0.1126","","","","","","1.198","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515500","7.298","0.0004","12.069","0.0004","16.9434","0.0005","90","","90","","90","","1492.37","0.11","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Khan, Hasan A.; Kou, Kevin G. M.; Dong, Vy M.","Nitrogen-directed ketone hydroacylation: Enantioselective synthesis of benzoxazecinones","Chemical Science","2011","2","3","407","","10.1039/c0sc00469c","","","0.71073","MoKα","","0.0544","0.0363","","","0.0771","0.0842","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515501","10.639","0.005","14.831","0.005","20.681","0.005","90","","96.24","0.015","90","","3244","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B F4 N2 O3 -","- C36 H41 B F4 N2 O3 -","- C144 H164 B4 F16 N8 O12 -","4","1","","Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme","Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions","Chemical Science","2011","2","3","425","","10.1039/c0sc00525h","","","0.7015","synchrotron","","0.0479","0.0388","","0.0624","0.058","0.0624","","","","","","1.1999","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515502","8.641","0.002","12.453","0.003","16.039","0.003","91.073","0.004","92.167","0.01","100.384","0.011","1695.8","0.7","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 F6 N2 O2 -","- C41 H36 F6 N2 O2 -","- C82 H72 F12 N4 O4 -","2","1","","Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme","Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions","Chemical Science","2011","2","3","425","","10.1039/c0sc00525h","","","0.71073","MoKα","","0.0486","0.0456","","0.08","0.0785","0.08","","","","","","1.1087","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515503","10.061","0.01","10.107","0.009","30.25","0.03","94.45","0.03","97.31","0.04","95.24","0.04","3026","5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H74 Cl6 F48 N16 P8 -","- C82 H74 Cl6 F48 N16 P8 -","- C82 H74 Cl6 F48 N16 P8 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.6889","Synchrotron","","0.1182","0.1042","","0.2124","0.1993","0.2124","","","","","","1.0207","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515504","9.8471","0.0002","11.4921","0.0002","12.2245","0.0002","68.0681","0.001","89.3833","0.0009","85.0539","0.0008","1278.13","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 F24 N10 P4 -","- C44 H42 F24 N10 P4 -","- C44 H42 F24 N10 P4 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0717","0.0592","","0.0796","0.0679","0.0679","","","","","","1.1314","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515505","23.7695","0.0004","11.2232","0.0002","24.0588","0.0005","90","","114.59","0.0009","90","","5836.11","0.19","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F24 N8 O2 P4 -","- C46 H48 F24 N8 O2 P4 -","- C184 H192 F96 N32 O8 P16 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1201","0.0766","","0.2254","0.1963","0.2254","","","","","","0.9391","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515506","8.2914","0.0002","19.8515","0.0004","16.9016","0.0004","90","","97.5218","0.001","90","","2758.01","0.11","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 F24 N8 O6 P4 -","- C40 H48 F24 N8 O6 P4 -","- C80 H96 F48 N16 O12 P8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0936","0.0745","","0.2086","0.1946","0.2086","","","","","","0.956","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515507","9.5897","0.0001","10.4314","0.0002","32.0723","0.0005","90","","97.2039","0.0007","90","","3182.99","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 F24 N8 O4 P4 -","- C52 H60 F24 N8 O4 P4 -","- C104 H120 F48 N16 O8 P8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0962","0.0622","","0.1538","0.1357","0.1538","","","","","","0.9884","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515508","16.7324","0.0003","20.1029","0.0003","17.8841","0.0003","90","","108.474","0.0007","90","","5705.66","0.17","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 F24 N10 O4 P4 -","- C46 H54 F24 N10 O4 P4 -","- C184 H216 F96 N40 O16 P16 -","4","1","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1162","0.0742","","0.2248","0.1933","0.2246","","","","","","0.8573","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515509","17.5254","0.0002","12.7345","0.0001","30.6082","0.0004","90","","90.6673","0.0006","90","","6830.59","0.13","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C66 H64 F24 N10 O4 P4 -","- C66 H64 F24 N10 O4 P4 -","- C264 H256 F96 N40 O16 P16 -","4","1","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0833","0.0502","","0.1591","0.119","0.1591","","","","","","0.8531","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515510","22.9688","0.001","18.0778","0.0006","21.4031","0.0007","90","","90","","90","","8887.1","0.6","150","","150","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C56.15 H47.03 Co1.58 F24 N8 O7.09 P4 -","- C56.154 H47.032 Co1.576 F24 N8 O7.092 P4 -","- C224.616 H188.128 Co6.304 F96 N32 O28.368 P16 -","4","0.25","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1821","0.1542","","0.2606","0.1803","0.1803","","","","","","1.0106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515511","10.192","0.0001","20.0159","0.0003","24.1601","0.0004","90","","90","","90","","4928.71","0.12","150","","150","","","","","","","","","5","P c m b","-P 2bc 2c","57","","","","- C44.4 H54.28 Cl4 N9.47 O5.47 -","- C44.404 H54.276 Cl4 N9.468 O5.468 -","- C177.616 H217.104 Cl16 N37.872 O21.872 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1013","0.0679","","0.2127","0.1932","0.2127","","","","","","0.9493","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515512","8.0143","0.0001","22.0345","0.0003","13.2696","0.0002","90","","93.0774","0.0005","90","","2339.91","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H52.71 N20.71 O4 -","- C46 H52.71 N20.71 O4 -","- C92 H105.42 N41.42 O8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.082","0.0553","","0.1487","0.1362","0.1487","","","","","","0.9538","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515513","9.1698","0.0002","16.1629","0.0003","23.2751","0.0005","101.433","0.0008","93.1531","0.0008","105.604","0.0009","3235.03","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C136 H157 N16 O38.5 -","- C136 H157.004 N16 O38.502 -","- C136 H157.004 N16 O38.502 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0833","0.0532","","0.1551","0.1244","0.1551","","","","","","0.9619","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515514","34.1635","0.0006","12.097","0.0002","12.7837","0.0002","90","","106.831","0.0008","90","","5056.87","0.15","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 Au Cl4 F6 N10 O2 P -","- C46 H50 Au Cl4 F6 N10 O2 P -","- C184 H200 Au4 Cl16 F24 N40 O8 P4 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0508","0.0378","","0.0914","0.0857","0.0914","","","","","","0.9639","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515515","12.9114","0.0003","10.3713","0.0003","12.8078","0.0003","90","","119.78","0.0012","90","","1488.57","0.07","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H12 Co4 O14 -","- C28 H12 Co4 O14 -","- C56 H24 Co8 O28 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0358","0.0277","","0.0702","0.0663","0.0702","","","","","","0.9862","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515516","9.6916","0.0002","13.8803","0.0003","10.966","0.0003","90","","94.153","0.001","90","","1471.3","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 Co4 O14 -","- C28 H12 Co4 O14 -","- C56 H24 Co8 O28 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0278","0.0229","","0.0565","0.054","0.0565","","","","","","0.9888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515517","29.669","0.0003","29.669","0.0003","29.669","0.0003","90","","90","","90","","26116.1","0.5","150","2","150","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C47 H49 Cl10.667 Fe4 N9 O4 -","- C47 H43 Cl10.668 Fe4 N9 O4 -","- C564 H516 Cl128.016 Fe48 N108 O48 -","12","0.25","","Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine","Chemical Science","2011","2","3","540","","10.1039/c0sc00523a","","","0.71073","MoKα","","0.0578","0.0482","","","0.1299","0.1456","","","","","","1.187","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1515518","21.7946","0.0006","21.7946","0.0006","21.7946","0.0006","90","","90","","90","","10352.5","0.5","150","2","150","2","","","","","","","","8","P -4 3 n","P -4n 2 3","218","","","","- C132 H132 Cl4 F36 Fe5 N24 O12 P6 -","- C132 H108 Cl4 F36 Fe5 N24 O12 P6.0004 -","- C264 H216 Cl8 F72 Fe10 N48 O24 P12.0008 -","2","0.0833333","","Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine","Chemical Science","2011","2","3","540","","10.1039/c0sc00523a","","","0.71073","MoKα","","0.0982","0.0598","","","0.1636","0.1783","","","","","","0.987","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1515519","22.054","0.004","22.054","0.004","13.223","0.003","90","","90","","120","","5569.7","1.9","296","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","anti-5,5'-(1,2-ethenediylidene)bis-5H- dibenzo(a,d)cycloheptene and m-xylene","anti-5,5'-(1,2-ethenediylidene)bis-5H-dibenzo[a,d]cycloheptene and m-xylene","","- C104 H70 -","- C103.98 H60 -","- C311.94 H180 -","3","0.166667","","Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian","Vapochromic and semiconducting solids of a bifunctional hydrocarbon","Chemical Science","2011","2","12","2402","","10.1039/c1sc00494h","","","0.71073","MoKα","","0.1128","0.0586","","","0.1718","0.2087","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515520","8.0144","0.0005","20.9765","0.0011","12.7099","0.0007","90","","90","","90","","2136.7","0.2","296","2","296","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","syn-5,5'-(1,2-ethenediylidene)bis-5H-dibenzo[a,d]cycloheptene","","- C32 H20 -","- C32 H20 -","- C128 H80 -","4","0.5","","Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian","Vapochromic and semiconducting solids of a bifunctional hydrocarbon","Chemical Science","2011","2","12","2402","","10.1039/c1sc00494h","","","0.71073","MoKα","","0.0684","0.0485","","","0.1277","0.1474","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515521","13.323","0.002","13.5457","0.0019","18.023","0.004","90","","98.623","0.017","90","","3215.8","1","112","","112","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Au N2 O2 -","- C29 H41 Au N2 O2 -","- C116 H164 Au4 N8 O8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1905","0.0988","","","0.2228","0.2437","","","","","","0.861","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515522","9.9439","0.0005","15.6363","0.0008","16.4516","0.0008","79.47","0.004","83.978","0.004","77.02","0.004","2445.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 Au N2 -","- C27 H29 Au N2 -","- C108 H116 Au4 N8 -","4","2","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1177","0.037","","","0.078","0.1025","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515523","8.327","0.002","29.402","0.004","8.849","0.001","90","","98.648","0.005","90","","2141.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Au N2 -","- C22 H27 Au N2 -","- C88 H108 Au4 N8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1102","0.0612","","","0.1359","0.151","","","","","","0.875","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515524","9.1235","0.0014","7.999","0.002","34.742","0.012","90","","94.181","0.0018","90","","2528.7","1.1","116","","116","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Au I N2 -","- C27 H30 Au I N2 -","- C108 H120 Au4 I4 N8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1467","0.1069","","","0.2494","0.2665","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515525","16.9075","0.0012","9.8602","0.0007","17.2281","0.0012","90","","113.997","0.002","90","","2623.9","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Au O2 P -","- C29 H32 Au O2 P -","- C116 H128 Au4 O8 P4 -","4","1","","Simonneau, Antoine; Jaroschik, Florian; Lesage, Denis; Karanik, Magdalena; Guillot, Régis; Malacria, Max; Tabet, Jean-Claude; Goddard, Jean-Philippe; Fensterbank, Louis; Gandon, Vincent; Gimbert, Yves","Tracking gold acetylides in gold(i)-catalyzed cycloisomerization reactions of enynes","Chemical Science","2011","2","12","2417","","10.1039/c1sc00478f","","x-ray","0.71073","MoKα","","0.0851","0.0631","","","0.1754","0.2057","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515526","34.0823","0.0007","5.4014","0.0001","16.6312","0.0003","90","","102.68","0.001","90","","2987","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C136 H144 N16 O16 S8 -","8","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0385","0.0334","","","0.0869","0.09","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515527","12.3076","0.0003","9.776","0.0003","26.6952","0.0007","90","","90","","90","","3211.94","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C128 H176 N16 O16 S8 -","8","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0504","0.0407","","","0.1041","0.111","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515528","5.2071","0.0001","12.8881","0.0003","14.6972","0.0004","90","","90","","90","","986.32","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 N2 O2 S -","- C8 H14 N2 O2 S -","- C32 H56 N8 O8 S4 -","4","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0344","0.0333","","","0.0986","0.0997","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515529","14.5628","0.0004","6.4095","0.0002","16.6818","0.0004","90","","102.174","0.002","90","","1522.07","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0474","0.0379","","","0.0996","0.105","","","","","","1.063","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515530","6.0485","0.0004","16.8765","0.0013","27.927","0.002","90","","90","","90","","2850.7","0.4","100","2","100","2","","","","","","","Aakarash Saxena","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N O3 S Si -","- C30 H41 N O3 S Si -","- C120 H164 N4 O12 S4 Si4 -","4","1","","Saxena, Aakarsh; Lam, Hon Wai","Enantioselective rhodium-catalyzed arylation of electron-deficient alkenylarenes","Chemical Science","2011","2","12","2326","","10.1039/c1sc00521a","","","1.5418","CuKα","","0.049","0.0439","","","0.1088","0.113","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515531","24.233","0.016","11.685","0.008","20.507","0.013","90","","111.491","0.011","90","","5403","6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C63 H55 N2 O17.5 -","- C63 H55 N2 O17.385 -","- C252 H220 N8 O69.54 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.1507","0.0649","","","0.1185","0.1471","","","","","","0.998","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515532","11.0841","0.0002","13.3658","0.0002","17.321","0.0003","90","","90","","90","","2566.07","0.07","120","2","120","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N2 O9 -","- C27 H28 Cl2 N2 O9 -","- C108 H112 Cl8 N8 O36 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","1.54184","CuKα","","0.0305","0.0301","","","0.0904","0.0911","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515533","13.8836","0.0007","17.9623","0.001","18.7911","0.001","75.44","0.002","88.26","0.002","85.425","0.002","4520.9","0.4","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C27 H26 F12 N2 P2 -","- C27 H26 F12 N2 P2 -","- C162 H156 F72 N12 P12 -","6","3","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.1328","0.0733","","","0.2068","0.2488","","","","","","0.71","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515534","9.074","0.0006","16.546","0.0011","20.709","0.0017","90","","109.934","0.006","90","","2922.9","0.4","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 F6 N2 O6 S2 -","- C29 H26 F6 N2 O6 S2 -","- C116 H104 F24 N8 O24 S8 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.0528","0.0416","","","0.1027","0.1119","","","","","","1.077","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515535","12.7496","0.001","10.619","0.0012","22.4445","0.0018","90","","90","","90","","3038.7","0.5","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C136 H176 O24 -","8","1","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.1217","0.0761","","","0.1951","0.2347","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515536","5.8343","0.0003","7.4644","0.0004","37.7001","0.0018","90","","90","","90","","1641.82","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Br O3 -","- C17 H21 Br O3 -","- C68 H84 Br4 O12 -","4","1","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.0245","0.0243","","","0.0653","0.0654","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515537","12.1533","0.0003","35.1495","0.0007","12.2922","0.0003","90","","110.684","0.001","90","","4912.5","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C216 H288 O48 -","12","3","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.0976","0.0801","","","0.2275","0.2637","","","","","","1.132","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515538","12.518","0.005","18.378","0.005","20.119","0.005","97.003","0.005","102.035","0.005","107.893","0.005","4221","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H76 F15 N8 O22 P Pd S3 -","- C74 H76 F15 N8 O22 P Pd S3 -","- C148 H152 F30 N16 O44 P2 Pd2 S6 -","2","1","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.194","0.1162","","","0.3326","0.3874","","","","","","1.299","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515539","12.0255","0.0005","20.4941","0.0008","28.0429","0.0012","90","","93.676","0.002","90","","6897","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C122 H144 F18 N14 O46 Pd2 S6 -","- C122 H144 F18 N14 O46 Pd2 S6 -","- C244 H288 F36 N28 O92 Pd4 S12 -","2","0.5","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.127","0.1062","","","0.2562","0.2712","","","","","","1.117","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515540","13.067","0.005","14.272","0.005","17.273","0.005","67.392","0.005","77.696","0.005","87.835","0.005","2902","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 F12 N5 P2 -","- C31 H21 F12 N5 P2 -","- C124 H84 F48 N20 P8 -","4","2","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.1278","0.0643","","","0.1725","0.2228","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515541","8.7653","0.0002","8.7653","0.0002","13.8811","0.0005","90","","90","","90","","1066.49","0.05","90","","293","","","","","","","","","3","I 4/m","-I 4","87","","","","- Fe15.631 K8.622 Se20 -","- Fe15.6312 K8.622 Se20 -","- Fe15.6312 K8.622 Se20 -","1","0.0625","","Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B.","Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies","Chemical Science","2011","2","6","1054","","10.1039/c1sc00070e","","","0.6889","synchrotron","","0.1508","0.0572","","","0.0688","0.0937","","","","1.69","1.69","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515542","8.7788","0.0004","8.7788","0.0004","13.8604","0.0006","90","","90","","90","","1068.18","0.08","100","","100","","","","","","","","","3","I 4/m","-I 4","87","","","","- Fe15.29 K9.223 Se20 -","- Fe15.284 K9.222 Se20 -","- Fe15.284 K9.222 Se20 -","1","0.0625","","Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B.","Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies","Chemical Science","2011","2","6","1054","","10.1039/c1sc00070e","","","0.71069","MoKα","","0.0721","0.0578","","","0.0771","0.0849","","","","1.8","1.8","1.71","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515543","12.6286","0.0009","13.2786","0.001","14.6898","0.001","85.812","0.002","77.077","0.002","67.47","0.002","2217.5","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H64 O8 -","- C48 H64 O8 -","- C96 H128 O16 -","2","1","","Hau, Chun-Kit; Chui, Stephen Sin-Yin; Lu, Wei; Che, Chi-Ming; Cheng, Ping-Shing; Mak, Thomas C. W.; Miao, Qian; Wong, Henry N. C.","Thermotropic liquid crystals based on 1,8,9,16-tetrasubstituted tetraphenylenes and their structure–property relationship studies","Chemical Science","2011","2","6","1068","","10.1039/c1sc00053e","","","0.71073","MoKα","","0.1681","0.067","","","0.1589","0.2093","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515544","11.05","0.002","13.83","0.003","14.03","0.003","78.8","0.03","83.81","0.03","69.28","0.03","1965.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H110 Cu5 Gd4 N8 O38 -","- C48 H110 Cu5 Gd4 N8 O38 -","- C48 H110 Cu5 Gd4 N8 O38 -","1","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Hooper, Thomas; Brechin, Euan K.; Evangelisti, Marco; Murray, Keith S.","Molecular coolers: The case for [CuII5GdIII4]","Chemical Science","2011","2","6","1166","","10.1039/c1sc00038a","","","0.71082","synchrotron","","0.0409","0.0398","","","0.0992","0.0999","","","","","","1.132","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515545","11.0978","0.0011","10.0421","0.001","15.8898","0.0016","90","","99.529","0.002","90","","1746.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H42 N2 O4 -","- C41 H42 N2 O4 -","- C82 H84 N4 O8 -","2","1","","Li, Jie; Chen, Gang; Wang, Zheng; Zhang, Ruzhou; Zhang, Xumu; Ding, Kuiling","Spiro-2,2′-bichroman-based bisoxazoline (SPANbox) ligands for ZnII-catalyzed enantioselective hydroxylation of β-keto esters and 1,3-diester","Chemical Science","2011","2","6","1141","","10.1039/c0sc00607f","","","0.71073","MoKα","","0.075","0.0608","","","0.1302","0.1373","","","","","","1.1","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515546","9.9624","0.0004","17.8137","0.0008","12.6175","0.0006","90","","98.264","0.002","90","","2215.94","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 Br N O2 S -","- C12 H18 Br N O2 S -","- C72 H108 Br6 N6 O12 S6 -","6","3","","Chuang, Kangway V.; Navarro, Raul; Reisman, Sarah E.","Benzoquinone-derived sulfinyl imines as versatile intermediates for alkaloid synthesis: Total synthesis of (–)-3-demethoxyerythratidinone","Chemical Science","2011","2","6","1086","","10.1039/c1sc00095k","","","0.71073","MoKα","","0.0344","0.0257","","","0.0308","0.0315","","","","","","1.083","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515547","11.5561","0.0003","31.6369","0.0007","9.5457","0.0003","90","","109.984","0.003","90","","3279.77","0.16","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.0708","0.0477","","","0.0946","0.0981","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515548","12.096","0.005","32.135","0.005","9.467","0.005","90","0.005","111.981","0.005","90","0.005","3412","2","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1188","0.0635","","","0.1689","0.1812","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515549","11.9215","0.0015","31.91","0.003","9.4841","0.0011","90","","111.535","0.013","90","","3356","0.7","250","2","250","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1371","0.053","","","0.124","0.1372","","","","","","0.862","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515550","11.5602","0.0004","31.6268","0.0012","9.5237","0.0004","90","","110.199","0.004","90","","3267.8","0.2","92","2","92","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1074","0.0546","","","0.1139","0.123","","","","","","0.923","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515551","15.503","0.003","13.996","0.003","10.645","0.002","90","","109.377","0.003","90","","2178.9","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Cu F6 N P S3 -","- C16 H27 Cu F6 N P S3 -","- C64 H108 Cu4 F24 N4 P4 S12 -","4","1","","Chaudhry, Aneese F.; Mandal, Subrata; Hardcastle, Kenneth I.; Fahrni, Christoph J.","High-contrast Cu(I)-selective fluorescent probes based on synergistic electronic and conformational switching.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","6","1016","1024","10.1039/C1SC00024A","","","0.71073","MoKα","","0.1615","0.0795","","","0.2037","0.2765","","","","","","1.803","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515552","30.1892","0.0002","30.1892","0.0002","30.1892","0.0002","90","","90","","90","","27514.1","0.3","296","2","296","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C32 H28 Cu2 O14 -","- C32 H4 Cu2 O14 -","- C192 H24 Cu12 O84 -","6","0.125","","Jeong, Kyung Seok; Go, Yong Bok; Shin, Sung Min; Lee, Suk Joong; Kim, Jaheon; Yaghi, Omar M.; Jeong, Nakcheol","Asymmetric catalytic reactions by NbO-type chiral metal‒organic frameworks","Chemical Science","2011","2","5","877","","10.1039/c0sc00582g","","","1.54178","CuKα","","0.1328","0.0613","","","0.1891","0.2227","","","","","","0.741","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515553","63.385","0.004","12.6019","0.0008","38.409","0.003","90","","98.769","0.004","90","","30321","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H76 N6 P -","- C54 H76 N6 P -","- C1296 H1824 N144 P24 -","24","3","","Back, Olivier; Donnadieu, Bruno; von Hopffgarten, Moritz; Klein, Susanne; Tonner, Ralf; Frenking, Gernot; Bertrand, Guy","N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals","Chemical Science","2011","2","5","858","","10.1039/c1sc00027f","","","0.71073","MoKα","","0.1067","0.0641","","","0.1503","0.1742","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515554","11.516","0.006","22.439","0.011","25.37","0.012","90","","98.889","0.008","90","","6477","6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H98 N7 P V -","- C66 H98 N7 P V -","- C264 H392 N28 P4 V4 -","4","1","","Back, Olivier; Donnadieu, Bruno; von Hopffgarten, Moritz; Klein, Susanne; Tonner, Ralf; Frenking, Gernot; Bertrand, Guy","N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals","Chemical Science","2011","2","5","858","","10.1039/c1sc00027f","","","0.71073","MoKα","","0.1689","0.0637","","","0.1031","0.1303","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515555","11.5815","0.0001","11.8231","0.0001","25.3961","0.0003","80.0523","0.0004","87.1768","0.0004","66.4893","0.0005","3140.1","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H73 N5 O12 -","- C70 H73 N5 O12 -","- C140 H146 N10 O24 -","2","1","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.71073","MoKα","","0.0646","0.0502","","0.1259","0.1151","0.1259","","","","","","0.9815","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515556","11.009","0.007","17.213","0.01","25.06","0.016","73.3","0.02","82.6","0.03","79.77","0.03","4461","5","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C96 H102 Cl N5 O20 -","- C96 H102 Cl N5 O20 -","- C192 H204 Cl2 N10 O40 -","2","2","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.6889","Synchrotron","","0.1273","0.12","","0.3295","0.3229","0.3295","","","","","","1.0058","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515557","12.2168","0.0013","24.953","0.003","31.028","0.003","90","","97.622","0.001","90","","9375.2","1.8","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H110 Cl N5 O22 -","- C102 H110 Cl N5 O22 -","- C408 H440 Cl4 N20 O88 -","4","1","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.6889","Synchrotron","","0.1268","0.0971","","0.1927","0.168","0.1927","","","","","","1.0548","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515558","26.964","0.004","14.146","0.002","24.947","0.004","90","","116.938","0.002","90","","8483","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","(THT)AuP(Ph2CCO)3Nb(N[CH2tBu]Ar)3 2.5.THF","","","- C95 H118 Au N3 Nb O5.5 P S -","- C95 H118 Au N3 Nb O5.5 P S -","- C380 H472 Au4 N12 Nb4 O22 P4 S4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0572","0.0397","","","0.0924","0.1032","","","","","","1.026","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515559","27.017","0.002","14.1228","0.0013","24.657","0.002","90","","116.11","0.001","90","","8447.9","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(py)AuP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Au N4 Nb O5.5 P -","- C96 H115 Au N4 Nb O5.5 P -","- C384 H460 Au4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0575","0.0373","","","0.095","0.103","","","","","","1.031","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515560","27.086","0.002","14.0697","0.0011","24.79","0.002","90","","116.396","0.001","90","","8462.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(pyr)AgP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Ag N4 Nb O5.5 P -","- C96 H115 Ag N4 Nb O5.5 P -","- C384 H460 Ag4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0897","0.0523","","","0.1208","0.1391","","","","","","0.969","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515561","23.3525","0.0016","15.0941","0.001","25.0969","0.0017","90","","115.147","0.001","90","","8007.8","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Rh(eta(6)-Ph,eta(2)-Ph'-P(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C92.5 H122 N3 Nb O5 P Rh -","- C91.509 H112.036 N3 Nb O4.991 P Rh -","- C366.036 H448.144 N12 Nb4 O19.964 P4 Rh4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0582","0.0414","","","0.097","0.1105","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515562","27.065","0.003","14.0252","0.0016","24.972","0.003","90","","116.777","0.002","90","","8462.7","1.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(py)CuP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Cu N4 Nb O5.5 P -","- C96 H115 Cu N4 Nb O5.5 P -","- C384 H460 Cu4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0664","0.0471","","","0.1259","0.1402","","","","","","1.024","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515563","17.736","0.002","17.736","0.002","51.913","0.007","90","","90","","120","","14142","3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","[Na(thf)6][(Ar[Np]N)3Nb(OC[CPh2])3P]","","","- C105 H138 N3 Na Nb O9 P -","- C105 H138 N3 Na Nb O9 P -","- C630 H828 N18 Na6 Nb6 O54 P6 -","6","0.333333","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0752","0.0495","","","0.1179","0.1362","","","","","","1.036","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515564","23.715","0.002","16.1639","0.0013","19.4189","0.0016","90","","107.002","0.001","90","","7118.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(Ar[Np]N)3Nb(OC[CPh2])2P][Na(thf)]","","","- C74.75 H97 N3 Na Nb O3 P -","- C74.75 H97 N3 Na Nb O3 P -","- C299 H388 N12 Na4 Nb4 O12 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0659","0.0455","","","0.1156","0.131","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515565","10.2629","0.0002","12.4476","0.0003","14.5233","0.0003","112.514","0.002","91.655","0.002","105.741","0.002","1631.16","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H61 Fe2 -","- C34 H61 Fe2 -","- C68 H122 Fe4 -","2","1","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","0.71073","MoKα","","0.0839","0.0459","","","0.093","0.1076","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515566","9.0398","0.0002","9.0398","0.0002","40.2263","0.0012","90","","90","","90","","3287.21","0.14","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H62 Fe2 -","- C34 H62 Fe2 -","- C136 H248 Fe8 -","4","0.5","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","1.54178","CuKα","","0.0262","0.0253","","","0.0648","0.0653","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515567","13.3878","0.0003","13.7768","0.0003","19.6471","0.0004","90","","90","","90","","3623.73","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H58 Fe2 P4 -","- C34 H58 Fe2 P4 -","- C136 H232 Fe8 P16 -","4","1","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","0.71073","MoKα","","0.0476","0.0388","","","0.0845","0.0879","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515568","54.319","0.008","4.7958","0.0007","18.476","0.003","90","","109.058","0.002","90","","4549.2","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C256 H192 N32 -","16","2","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0858","0.0629","","","0.1558","0.1676","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515569","14.9876","0.0013","5.6399","0.0005","18.1283","0.0016","90","","94.317","0.002","90","","1528","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0667","0.0511","","","0.1199","0.1292","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515570","18.7505","0.0012","7.0987","0.0004","20.0419","0.0012","90","","90","","90","","2667.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Br2 N2 -","- C15 H10 Br2 N2 -","- C120 H80 Br16 N16 -","8","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0561","0.0357","","","0.0785","0.0854","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515571","11.3993","0.0012","20.292","0.002","6.8679","0.0007","90","","116.348","0.002","90","","1423.6","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 Br2 N2 -","- C16 H12 Br2 N2 -","- C64 H48 Br8 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0304","0.026","","","0.0517","0.053","","","","","","0.881","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515572","4.7179","0.0003","13.9491","0.0009","18.8428","0.0012","90","","90","","90","","1240.05","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br N2 -","- C16 H11 Br N2 -","- C64 H44 Br4 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0382","0.0332","","","0.0722","0.0743","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515573","10.4908","0.0014","17.614","0.002","9.1784","0.0012","90","","106.541","0.002","90","","1625.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Tang, Bo-Xiao; Song, Ren-Jie; Wu, Cui-Yan; Wang, Zhi-Qiang; Liu, Yu; Huang, Xiao-Cheng; Xie, Ye-Xiang; Li, Jin-Heng","Ruthenium-catalyzed intramolecular carbocyclization of alkynes with an sp3 carbon involving an oxidative deprotonation process","Chemical Science","2011","2","11","2131","","10.1039/c1sc00423a","","","0.71073","MoKα","","0.0706","0.0524","","","0.1339","0.1441","","","","","","0.984","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515574","12.942","0.002","5.7874","0.001","22.755","0.004","90","","104.764","0.003","90","","1648.1","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Robbins, Diane; Newton, Annabella F.; Gignoux, Camille; Legeay, Jean-Christophe; Sinclair, Alex; Rejzek, Martin; Laxon, Carly A.; Yalamanchili, Sai K.; Lewis, William; O'Connell, Maria A.; Stockman, Robert A.","Synthesis of natural-product-like scaffolds in unprecedented efficiency via a 12-fold branching pathway","Chemical Science","2011","2","11","2232","","10.1039/c1sc00371b","","","0.71073","MoKα","","0.1409","0.1351","","","0.2264","0.2285","","","","","","1.401","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515575","27.1704","0.0019","27.1704","0.0019","27.1704","0.0019","90","","90","","90","","20058","2","113","2","113","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C156 H84 N48 O68 Zn7 -","- C156 H84 N48 O68.04 Zn7 -","- C624 H336 N192 O272.16 Zn28 -","4","0.0833333","","Qi, Xiao-Lin; Lin, Rui-Biao; Chen, Qing; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal azolate framework with drastic luminescence response toward solvent vapors and carbon dioxide","Chemical Science","2011","2","11","2214","","10.1039/c1sc00421b","","","0.71073","MoKα","","0.098","0.0615","","","0.137","0.1596","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515576","18.0449","0.0004","16.5511","0.0004","5.3798","0.0001","90","","90","","90","","1606.75","0.06","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Du, Juana; Espelt, Laura Ruiz; Guzei, Ilia A.; Yoon, Tehshik P.","Photocatalytic Reductive Cyclizations of Enones: Divergent Reactivity of Photogenerated Radical and Radical Anion Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","11","2115","2119","10.1039/C1SC00357G","","","1.54178","CuKα","","0.0292","0.0285","","","0.0786","0.0797","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515577","9.548","0.004","5.573","0.002","13.512","0.005","90","","102.084","0.006","90","","703.1","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18 F3 N O4 -","- C13 H18 F3 N O4 -","- C26 H36 F6 N2 O8 -","2","1","","Royzen, Maksim; Taylor, Michael T.; Deangelis, Andrew; Fox, Joseph M.","Total Synthesis of Hyacinthacine A2: Stereocontrolled 5-aza-cyclooctene Photoisomerization and Transannular Hydroamination with Planar-to-Point Chirality Transfer.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","11","2162","2165","10.1039/C1SC00442E","","","0.71073","MoKα","","0.0409","0.0376","","","0.099","0.1025","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515578","24.217","0.003","24.217","0.003","44.518","0.009","90","","90","","90","","26108","7","253","2","253","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C62 H46 Cl4 Fe2 N13 O17.5 -","- C62 H40 Cl4 Fe2 N13 O17.5 -","- C992 H640 Cl64 Fe32 N208 O280 -","16","0.5","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.1108","0.0588","","","0.1672","0.1925","","","","","","0.909","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515579","28.005","0.006","23.913","0.005","25.973","0.005","90","","115.78","0.03","90","","15663","7","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H53.25 Cl4 Fe2 N17.5 O18 -","- C77 H46 Cl4 Fe2 N17.5 O18 -","- C616 H368 Cl32 Fe16 N140 O144 -","8","2","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.2768","0.1013","","","0.2199","0.29","","","","","","0.808","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515580","19.005","0.004","14.428","0.003","20.463","0.004","90","","101.45","0.02","90","","5499","2","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Cl4 Fe2 N10 O21 -","- C50 H34 Cl4 Fe2 N10 O21 -","- C200 H136 Cl16 Fe8 N40 O84 -","4","1","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.1054","0.0609","","","0.1688","0.1973","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515581","12.1016","0.0004","6.4721","0.0002","11.3344","0.0004","90","","111.593","0.001","90","","825.44","0.05","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin form II","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R.","Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation","Chemical Science","2011","2","11","2236","","10.1039/c1sc00430a","","","0.71073","MoKα","","0.0522","0.0473","","","0.0922","0.0946","","","","","","1.231","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515582","12.3578","0.0007","6.5315","0.0008","11.4964","0.0007","90","","112.436","0.003","90","","857.69","0.13","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin form II","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R.","Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation","Chemical Science","2011","2","11","2236","","10.1039/c1sc00430a","","","0.71073","MoKα","","0.0592","0.0362","","","0.0845","0.0953","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515583","27.568","0.007","15.989","0.004","25.24","0.006","90","","106.726","0.005","90","","10655","5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C91 H130 B2 Cl2 Cu4 F8 N10 P4 -","- C91 H130 B2 Cl2 Cu4 F8 N10 P4 -","- C364 H520 B8 Cl8 Cu16 F32 N40 P16 -","4","0.5","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.1807","0.082","","","0.2251","0.2879","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515584","12.238","0.002","18.531","0.003","20.929","0.003","90","","103.246","0.003","90","","4620.1","1.3","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H84 B2 Cl4 Cu4 F8 N10 P4 -","- C92 H84 B2 Cl4 Cu4 F8 N10 P4 -","- C184 H168 B4 Cl8 Cu8 F16 N20 P8 -","2","0.5","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.1001","0.0477","","","0.1142","0.1526","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515585","8.485","0.002","13.769","0.002","15.231","0.003","91.11","0.002","100.453","0.003","91.01","0.002","1749.2","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 B Cu F4 N5 P -","- C38 H34 B Cu F4 N5 P -","- C76 H68 B2 Cu2 F8 N10 P2 -","2","1","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.0824","0.0513","","","0.127","0.152","","","","","","1.031","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515586","30.849","0.0006","30.849","0.0006","23.5478","0.0006","90","","90","","120","","19407.2","0.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C45 H62 Li N3 O3 Ti -","- C44.92 H61.92 Li N3 O3 Ti -","- C808.56 H1114.56 Li18 N54 O54 Ti18 -","18","1","","Silvia, Jared S.; Cummins, Christopher C.","Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium","Chemical Science","2011","2","8","1474","","10.1039/c1sc00215e","","","1.54178","CuKα","","0.0749","0.056","","","0.1485","0.1605","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515587","19.9166","0.0018","19.1716","0.0018","21.779","0.002","90","","90","","90","","8315.9","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H63 N3 O3 Si Ti -","- C40 H63 N3 O3 Si Ti -","- C320 H504 N24 O24 Si8 Ti8 -","8","1","","Silvia, Jared S.; Cummins, Christopher C.","Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium","Chemical Science","2011","2","8","1474","","10.1039/c1sc00215e","","","0.71073","MoKα","","0.062","0.0427","","","0.0987","0.1113","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515588","3.822","0.0007","13.266","0.002","13.858","0.002","118.434","0.002","93.312","0.003","94.22","0.003","612.74","0.17","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H16 S4 -","- C40 H16 S4 -","- C40 H16 S4 -","1","0.5","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.0711","0.0543","","","0.1474","0.1589","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515589","27.556","0.0011","16.5467","0.0007","28.5253","0.0012","90","","94.415","0.001","90","","12967.8","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58.33 H50.67 S4 -","- C58.3333 H50.6667 S4 -","- C700 H608 S48 -","12","3","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.0997","0.0626","","","0.1641","0.1847","","","","","","1.275","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515590","13.742","0.002","21.483","0.004","17.611","0.003","90","","96.049","0.003","90","","5170.2","1.5","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 N4 S4 -","- C68 H52 N4 S4 -","- C272 H208 N16 S16 -","4","1","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.117","0.0726","","","0.1773","0.205","","","","","","1.287","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515591","22.514","0.005","19.373","0.004","19.548","0.004","90","","108.901","0.003","90","","8066","3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C310 H64 S4 -","- C310 H64 S4 -","- C620 H128 S8 -","2","0.5","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.3184","0.1623","","","0.3811","0.4275","","","","","","1.724","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515592","17.249","0.002","17.249","0.002","81.989","0.016","90","","90","","120","","21126","5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C132 H202 N6 O6 S U2 -","- C131.9 H174 N6 O6 S U2 -","- C791.4 H1044 N36 O36 S6 U12 -","6","0.166667","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1182","0.0563","","","0.1192","0.1305","","","","","","1.364","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515593","14.8605","0.0019","15.046","0.002","17.8037","0.0016","70.931","0.009","81.732","0.011","60.483","0.01","3273.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H192 N10 O6 S0.02 Se0.98 U2 -","- C134 H192 N10 O6 S0.024 Se0.976 U2 -","- C134 H192 N10 O6 S0.024 Se0.976 U2 -","1","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0495","0.0387","","","0.092","0.0969","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515594","22.837","0.0016","24.081","0.002","25.25","0.002","90","","116.123","0.008","90","","12467.5","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H187 N2 O17 S U2 -","- C130 H187 N2 O17 S U2 -","- C520 H748 N8 O68 S4 U8 -","4","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U–E–U (E = S, Se) and diamond-core complexes U–(E)2–U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.105","0.0569","","","0.1242","0.1535","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515595","22.7926","0.0018","24.1118","0.0009","25.319","0.003","90","","116.089","0.01","90","","12497","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H187 N2 O17 Se U2 -","- C130 H187 N2 O17 Se U2 -","- C520 H748 N8 O68 Se4 U8 -","4","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U–E–U (E = S, Se) and diamond-core complexes U–(E)2–U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1217","0.052","","","0.106","0.1322","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515596","28.397","0.003","17.161","0.0019","55.426","0.011","90","","103.778","0.011","90","","26233","7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H192 N2 Na2 O18 S2 U2 -","- C132 H192 N2 Na2 O18 S2 U2 -","- C1056 H1536 N16 Na16 O144 S16 U16 -","8","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U–E–U (E = S, Se) and diamond-core complexes U–(E)2–U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1004","0.0805","","","0.2101","0.2182","","","","","","1.481","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515597","24.887","0.005","21.404","0.004","26.847","0.005","90","","110.322","0.009","90","","13411","5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H192 N2 Na2 O18 Se2 U2 -","- C132 H192 N2 Na2 O18 Se2 U2 -","- C528 H768 N8 Na8 O72 Se8 U8 -","4","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0897","0.0527","","","0.1219","0.1345","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515598","24.818","0.002","21.454","0.002","27.07","0.003","90","","110.585","0.011","90","","13493","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C134 H196 N2 Na2 O18.5 Te2 U2 -","- C134 H196 N2 Na2 O18.5 Te2 U2 -","- C536 H784 N8 Na8 O74 Te8 U8 -","4","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0794","0.0477","","","0.1003","0.1104","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515599","15.1722","0.0016","16.9264","0.0012","21.898","0.0016","99.027","0.006","100.16","0.007","96.211","0.008","5413.2","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H162 N3 O14 U2 -","- C122.996 H161.99 N3 O13.998 U2 -","- C245.992 H323.98 N6 O27.996 U4 -","2","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1064","0.0522","","","0.1","0.1188","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515600","10.3614","0.0008","11.1748","0.0009","18.7204","0.0016","90","","90","","90","","2167.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O5 S -","- C22 H20 Br N O5 S -","- C88 H80 Br4 N4 O20 S4 -","4","1","","Gu, Qing; You, Shu-Li","Desymmetrization of cyclohexadienones via cinchonine derived thiourea-catalyzed enantioselective aza-Michael reaction and total synthesis of (-)-Mesembrine","Chemical Science","2011","2","8","1519","","10.1039/c1sc00083g","","","0.71073","MoKα","","0.0829","0.0364","","","0.0559","0.064","","","","","","0.848","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515601","10.6331","0.0004","10.6331","0.0004","5.6597","0.0003","90","","90","","90","","639.9","0.05","566","2","566","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- Ca2 F H7 Ir O7 -","- Ca2 F H7 Ir O7 -","- Ca8 F4 H28 Ir4 O28 -","4","0.25","","Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I.","Structural variety in iridate oxides and hydroxides from hydrothermal synthesis","Chemical Science","2011","2","8","1573","","10.1039/c1sc00192b","","","0.71073","MoKα","","0.0379","0.0188","","","0.0443","0.0478","","","","","","0.91","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515602","5.9657","0.0003","10.9919","0.0004","6.0097","0.0003","90","","112.903","0.006","90","","363.01","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H8 Ir O8 Sr2 -","- H8 Ir O8 Sr2 -","- H16 Ir2 O16 Sr4 -","2","0.5","","Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I.","Structural variety in iridate oxides and hydroxides from hydrothermal synthesis","Chemical Science","2011","2","8","1573","","10.1039/c1sc00192b","","","0.71073","MoKα","","0.029","0.0234","","","0.0533","0.0546","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515603","8.7047","0.0002","15.6298","0.0003","9.3874","0.0002","90","","115.922","0.001","90","","1148.68","0.04","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Al N3 -","- C8 H22 Al N3 -","- C32 H88 Al4 N12 -","4","1","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.0461","0.0355","","","0.0941","0.1002","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515604","14.6013","0.0003","15.486","0.0003","8.6751","0.0002","90","","122.28","0.03","90","","1658.4","0.6","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 Al2 N2 -","- C12 H32 Al2 N2 -","- C48 H128 Al8 N8 -","4","0.5","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.0503","0.0379","","","0.0999","0.1083","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515605","19.5895","0.0006","19.5895","0.0006","31.1522","0.0008","90","","90","","120","","10353","0.5","260","2","260","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H36 B3 N3 -","- C12 H36 B3 N3 -","- C288 H864 B72 N72 -","24","4","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.1696","0.1236","","","0.3639","0.3858","","","","","","1.429","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515606","29.3467","0.0005","29.3467","0.0005","14.9405","0.0004","90","","90","","120","","11143.3","0.4","180","2","180","2","","","","","","","","6","P 63","P 6c","173","","","","- C37 H113 B4 N9 O Si12 -","- C37 H113 B4 N9 O Si12 -","- C222 H678 B24 N54 O6 Si72 -","6","1","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.1667","0.1235","","","0.3072","0.3335","","","","","","2.198","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515607","9.7467","0.0002","14.1261","0.0003","20.0486","0.0004","90","","95.845","0.001","90","","2746","0.1","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 O4 Si -","- C30 H38 O4 Si -","- C120 H152 O16 Si4 -","4","2","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","0.0863","0.0779","","","0.2133","0.2246","","","","","","1.112","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515608","7.2838","0.0007","9.555","0.0009","19.3652","0.0019","90","","90","","90","","1347.8","0.2","223.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","0.71075","MoKα","","","0.0606","","","","0.1412","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515609","12.956","0.002","8.4492","0.0015","11.2977","0.002","90","","90.405","0.004","90","","1236.7","0.4","223.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","0.71075","MoKα","","","0.0665","","","","0.1613","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515610","6.16325","0.00011","11.2731","0.0002","18.7642","0.0013","90","","90","","90","","1303.72","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","","0.0336","","","","0.0832","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515611","6.14187","0.00012","11.3932","0.0002","18.2633","0.0004","90","","90","","90","","1277.98","0.04","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","","0.0378","","","","0.0987","","","","","","1.086","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515612","21.1146","0.0006","32.0756","0.001","12.6836","0.0004","90","","90","","90","","8590.1","0.5","150","2","150","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C12 H154 N6 Na18 O165 Te8 W28 -","- C7 N3.8 Na13.4 O163.9 Te8 W28 -","- C14 N7.6 Na26.8 O327.8 Te16 W56 -","2","0.25","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54178","CuKα","","0.0737","0.0475","","","0.1187","0.1317","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515613","19.7207","0.0004","37.8627","0.0011","22.6396","0.0004","90","","104.374","0.002","90","","16375.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H130 K24 O177 Te8 W28 -","- K23.2 O150.878 Te8 W28 -","- K92.8 O603.512 Te32 W112 -","4","1","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","0.71073","MoKα","","0.1251","0.0681","","","0.1189","0.1452","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515614","19.3418","0.0008","21.0639","0.001","22.8563","0.0011","104.296","0.004","91.843","0.004","92.426","0.004","9006.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H79 Na26 O152 Te9 W28 -","- Na12.85 O150.95 Te9 W28 -","- Na25.7 O301.9 Te18 W56 -","2","1","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54178","CuKα","","0.1443","0.0719","","","0.1659","0.2026","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515615","32.5176","0.0006","20.937","0.0003","27.2721","0.0004","90","","102.804","0.002","90","","18105.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- Cl H142 Na27 O186 Te9 W28 -","- Cl Na21.9 O151.8 Te9 W28 -","- Cl4 Na87.6 O607.2 Te36 W112 -","4","0.5","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54184","CuKα","","0.0704","0.0566","","","0.1484","0.1618","","","","","","1.116","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515616","34.873","0.0001","18.6557","0.0003","27.5438","0.0008","90","","105.384","0.004","90","","17277.4","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H90 Na28 O163 Te10 W28 -","- Na16.4 O153 Te9.5 W28 -","- Na65.6 O612 Te38 W112 -","4","0.5","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","0.71073","MoKα","","0.0781","0.0485","","","0.1205","0.1273","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515617","8.5144","0.0008","8.9709","0.0008","13.415","0.0013","92.829","0.001","103.59","0.001","102.048","0.001","968.8","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C54 H40 O4 -","2","1","","Kuzmanich, Gregory; Xue, Jiadan; Netto-Ferreira, José-Carlos; Scaiano, J. C.; Platz, Matthew; Garcia-Garibay, Miguel A.","Steady state and transient kinetics in crystalline solids: the photochemistry of nanocrystalline 1,1,3-triphenyl-3-hydroxy-2-indanone","Chemical Science","2011","2","8","1497","","10.1039/c1sc00184a","","","0.71073","MoKα","","0.0499","0.0457","","","0.1202","0.1233","","","","","","1.082","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515618","7.0652","0.0001","11.0639","0.0002","22.775","0.0005","90","","90","","90","","1780.29","0.06","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 I N O3 -","- C19 H16 I N O3 -","- C76 H64 I4 N4 O12 -","4","1","","Leon, Rafael; Jawalekar, Anup; Redert, Thomas; Gaunt, Matthew J.","Catalytic enantioselective assembly of complex molecules containing embedded quaternary stereogenic centres from simple anisidine derivatives","Chemical Science","2011","2","8","1487","","10.1039/c1sc00218j","","","0.71073","MoKα","","0.0225","0.0212","","","0.0539","0.0548","","","","","","1.179","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515619","13.445","0.0007","9.4054","0.0005","14.8518","0.0007","90","","117.218","0.004","90","","1670.14","0.16","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","LTP196","","","- C16 H18 Cl N O2 Pd S -","- C16 H18 Cl N O2 Pd S -","- C64 H72 Cl4 N4 O8 Pd4 S4 -","4","1","","Xu, Yun-He; Chok, Yew Keong; Loh, Teck-Peng","Synthesis and characterization of a cyclic vinylpalladium(ii) complex: vinylpalladium species as the possible intermediate in the catalytic direct olefination reaction of enamide","Chemical Science","2011","2","9","1822","","10.1039/c1sc00262g","","","0.71073","MoKα","","0.0335","0.0257","","","0.0598","0.0637","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515620","13.1411","0.0006","18.9878","0.001","8.625","0.0004","90","","106.879","0.002","90","","2059.4","0.17","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LTP198","","","- C20 H26 N O4.5 Pd S -","- C20 H26 N O4.5 Pd S -","- C80 H104 N4 O18 Pd4 S4 -","4","1","","Xu, Yun-He; Chok, Yew Keong; Loh, Teck-Peng","Synthesis and characterization of a cyclic vinylpalladium(ii) complex: vinylpalladium species as the possible intermediate in the catalytic direct olefination reaction of enamide","Chemical Science","2011","2","9","1822","","10.1039/c1sc00262g","","","0.71073","MoKα","","0.0472","0.0311","","","0.0649","0.0744","","","","","","1.075","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515621","34.486","0.003","11.34","0.0009","24.7183","0.0019","90","","117.519","0.002","90","","8572.9","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H86 N22 O23 -","- C75 H86 N22 O23 -","- C300 H344 N88 O92 -","4","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.1117","0.0784","","","0.2192","0.2368","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515622","13.477","0.004","15.019","0.004","17.319","0.005","98.171","0.005","109.671","0.004","102.737","0.005","3129.2","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H178 N28 O22 -","- C114 H178 N28 O22 -","- C114 H178 N28 O22 -","1","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.0757","0.0665","","","0.1526","0.1577","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515623","12.36","0.003","14.699","0.004","15.587","0.004","70.114","0.004","82.103","0.004","66.078","0.004","2434.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H118 Cl6 N26 O19 -","- C84 H118 Cl6 N26 O19 -","- C84 H118 Cl6 N26 O19 -","1","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.0736","0.0673","","","0.1753","0.1805","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515624","29.168","0.006","27.741","0.006","20.935","0.004","90","","114.17","0.03","90","","15455","7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C154 H167 N6 O63.5 S10 -","- C154 H116 N6 O63.5 S10 -","- C616 H464 N24 O254 S40 -","4","0.5","","Guo, Dong-Sheng; Uzunova, Vanya D.; Su, Xin; Liu, Yu; Nau, Werner M.","Operational calixarene-based fluorescent sensing systems for choline and acetylcholine and their application to enzymatic reactions","Chemical Science","2011","2","9","1722","","10.1039/c1sc00231g","","","0.71073","MoKα","","0.1952","0.1235","","","0.3175","0.3744","","","","","","1.137","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515625","13.4133","0.0009","13.4133","0.0009","92.656","0.012","90","","90","","120","","14437","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 B6 Cl12 N12 O12 -","- C90 H48 B6 Cl12 N12 O12 -","- C540 H288 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron–nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","0.71073","MoKα","","0.09","0.0761","","","0.1394","0.1452","","","","","","1.264","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515626","14.3139","0.0009","14.3139","0.0009","30.848","0.002","90","","90","","120","","5473.6","0.6","298","2","298","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C114 H60 B6 Cl12 N12 O12 -","- C114 H60 B6 Cl12 N12 O12 -","- C228 H120 B12 Cl24 N24 O24 -","2","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0975","0.0465","","","0.1081","0.121","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515627","13.5162","0.0006","13.5162","0.0006","93.155","0.005","90","","90","","120","","14738.3","1.2","293","2","0","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H60 B6 Cl12 N12 O12 -","- C108 H60 B6 Cl12 N12 O12 -","- C648 H360 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron–nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0763","0.0459","","","0.1195","0.1307","","","","","","0.809","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515628","13.5417","0.0003","13.5417","0.0003","118.223","0.007","90","","90","","120","","18775","1.3","270","2","270","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C144 H84 B6 Cl12 N12 O12 -","- C144 H84 B6 Cl12 N12 O12 -","- C864 H504 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron–nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0592","0.0555","","","0.1554","0.1587","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515629","6.24573","0.00008","7.2874","0.0001","37.2516","0.0005","90","","90","","90","","1695.51","0.04","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl2 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","1","","Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes","Chemical Science","2011","2","9","1850","","10.1039/c1sc00300c","","x-ray","1.5418","CuKα","","0.0264","0.0258","","","0.0713","0.0717","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515630","24.8014","0.0016","24.8014","0.0016","6.835","0.0009","90","","90","","120","","3641","0.6","173","","173","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C30 H21 Cl3 -","- C30 H21 Cl3 -","- C180 H126 Cl18 -","6","0.333333","","Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes","Chemical Science","2011","2","9","1850","","10.1039/c1sc00300c","","","0.71073","MoKα","","0.0357","0.0344","","","0.0828","0.0834","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515631","25.1026","0.0013","25.1026","0.0013","25.1026","0.0013","90","","90","","90","","15818.2","1.4","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C132 H180 Cl12 Co8 N72 O4 -","- C132 H180 Cl12 Co8 N72 O3.6 -","- C528 H720 Cl47.9999 Co32 N288 O14.4 -","4","0.166667","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","x-ray","0.71073","MoKα","","0.0711","0.0493","","","0.1349","0.1495","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515632","17.758","0.005","19.38","0.003","24.772","0.006","90","","90.257","0.016","90","","8525","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C132 H156 Br12 Co8 N72 O18 -","- C132 H156 Br12 Co8 N72 O17.92 -","- C264 H312 Br24 Co16 N144 O35.84 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1959","0.0826","","","0.1984","0.2615","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515633","28.55","0.002","22.5268","0.0019","19.4189","0.0016","90","","131.977","0.003","90","","9284.5","1.3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C138 H156 Cl16 Co10 N72 O11.5 S3 -","- C138 H156 Cl16 Co10 N72 O11.52 S3 -","- C276 H312 Cl32 Co20 N144 O23.04 S6 -","2","0.25","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","x-ray","0.71073","MoKα","","0.174","0.0833","","","0.2286","0.2748","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515634","20.155","0.005","19.422","0.005","22.792","0.006","90","","90.221","0.002","90","","8922","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C132 H156 Co8 N84 O58.5 -","- C132 H156 Co8 N84 O58.5 -","- C264 H312 Co16 N168 O117 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1293","0.0782","","","0.1921","0.2213","","","","","","1.041","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515635","31.693","0.006","20.047","0.004","32.309","0.007","90","","109.5","0.03","90","","19350","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C138 H178 B12 Co8 F48 N74 O16.75 -","- C138 H178 B12 Co8 F48 N74 O16.86 -","- C552 H712 B48 Co32 F192 N296 O67.44 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1715","0.0789","","","0.1871","0.2358","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515636","33.008","0.008","19.253","0.005","32.654","0.007","90","","116.116","0.005","90","","18633","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H168 Cl12 Co8 N72 O40 -","- C132 H168 Cl12 Co8 N72 O39.96 -","- C528 H672 Cl48 Co32 N288 O159.84 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1305","0.0714","","","0.1662","0.1988","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515637","17.3775","0.0012","17.494","0.0012","24.6892","0.0017","90","","90","","90","","7505.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H88 N32 Ni4 O16 -","- C56 H88 N32 Ni4 O16 -","- C224 H352 N128 Ni16 O64 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1346","0.0702","","","0.1688","0.2018","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515638","12.909","0.002","12.071","0.0019","12.95","0.002","90","","115.858","0.002","90","","1815.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cd N8 O4 -","- C14 H22 Cd N8 O4 -","- C56 H88 Cd4 N32 O16 -","4","1","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","0.71073","MoKα","","0.0406","0.0356","","","0.0933","0.0966","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515639","28.1055","0.0004","28.1055","0.0004","19.1669","0.0006","90","","90","","120","","13111.9","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C132 H126 In8 N84 O39.67 -","- C132 H126 In8 N83.98 O39.96 -","- C396 H378 In24 N251.94 O119.88 -","3","0.166667","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.086","0.058","","","0.1352","0.1526","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515640","20.3067","0.0009","18.7195","0.0008","24.9104","0.001","90","","93.182","0.001","90","","9454.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C135 H175 Co8 N73 O56 S6 -","- C135 H175 Co8 N73 O55.76 S6 -","- C270 H350 Co16 N146 O111.52 S12 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1367","0.0737","","","0.1794","0.2098","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515641","8.623","","10.307","","10.493","","104.88","","92.7","","101.67","","877.838","","100","2","100","2","","","","","","","","7","P -1","-P 1","2","xwf3a","","","- C11 H20 Cl2 Fe0.5 N3 O2 Re0.5 -","- C11 H20 Cl2 Fe0.5 N3 O2 Re0.5 -","- C22 H40 Cl4 Fe N6 O4 Re -","2","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0259","0.0253","","","0.0676","0.0699","","","","","","1.105","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515642","8.9348","0.0006","10.504","0.0007","14.0627","0.001","68.984","0.004","77.296","0.004","85.408","0.004","1201.85","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","xwf9a","","","- C38 H72 Cl4 Fe N6 O4 Re -","- C38 H72 Cl4 Fe N6 O4 Re -","- C38 H72 Cl4 Fe N6 O4 Re -","1","0.5","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","1.54178","CuKα","","0.0566","0.054","","","0.1395","0.1417","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515643","10.778","","12.316","","14.407","","90","","107.01","","90","","1828.75","","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","xwf22a","","","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","4","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0644","0.0531","","","0.134","0.1425","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515644","9.465","","9.976","","10.631","","108.44","","109.42","","106.27","","810.526","","103","2","103","2","","","","","","","","7","P -1","-P 1","2","xwf-17","","","- C11 H22 Cl2 Fe0.5 N3 O2 Re0.5 -","- C11 H22 Cl2 Fe0.5 N3 O2 Re0.5 -","- C22 H44 Cl4 Fe N6 O4 Re -","2","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0291","0.0286","","","0.0769","0.0783","","","","","","1.146","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515645","13.3667","0.0017","13.3667","0.0017","10.7152","0.0013","90","","90","","90","","1914.5","0.4","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","xwf23a","","","- C26 H52 Cl4 Fe N6 O4 Re -","- C26 H52 Cl4 Fe N6 O4 Re -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","2","0.25","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0341","0.0291","","","0.0731","0.0764","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515646","8.3338","0.0007","25.68","0.002","15.2004","0.0012","90","","90","","90","","3253.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33.25 H37.25 Cl1.5 N2 O4 Si -","- C33 H37 Cl N2 O4 Si -","- C132 H148 Cl4 N8 O16 Si4 -","4","1","","Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.","A practical, convergent route to the key precursor to the tetracycline antibiotics.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1710","1718","10.1039/C1SC00303H","","","0.71073","MoKα","","0.0927","0.0605","","","0.148","0.1668","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515647","8.4645","0.0018","9.265","0.002","13.88","0.003","101.3","0.015","98.534","0.014","106.22","0.014","1000.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.","A practical, convergent route to the key precursor to the tetracycline antibiotics.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1710","1718","10.1039/C1SC00303H","","","0.71073","MoKα","","0.1916","0.0895","","","0.1646","0.1873","","","","","","1","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515648","6.4713","0.0002","12.2439","0.0003","21.5133","0.0006","90","","90","","90","","1704.58","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.","A practical, convergent route to the key precursor to the tetracycline antibiotics.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1710","1718","10.1039/C1SC00303H","","","1.54178","CuKα","","0.0257","0.0256","","","0.0695","0.0696","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515649","10.577","0.002","10.715","0.002","13.367","0.003","106.03","0.03","90.59","0.04","105.44","0.02","1397.7","0.6","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H58 N O18 Ru3 S6 -","- C50 H58 N O18 Ru3 S6 -","- C50 H58 N O18 Ru3 S6 -","1","0.5","","Lai-Fung Chan, Sharon; Wai-Yin Sun, Raymond; Choi, Mei-Yuk; Zeng, Yibo; Shek, Lam; Sin-Yin Chui, Stephen; Che, Chi-Ming","An anti-cancer trinuclear ruthenium(iii) complex with 2-thiosalicylate ligands attenuates Wnt-β-catenin signaling","Chemical Science","2011","2","9","1788","","10.1039/c1sc00203a","","","0.71073","MoKα","","0.0317","0.0279","","","0.0754","0.0782","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515650","11.2346","0.0002","7.9046","0.0002","14.0597","0.0003","90","","94.892","0.001","90","","1244.02","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H22 Cl N O5 S2 -","- C27 H22 Cl N O5 S2 -","- C54 H44 Cl2 N2 O10 S4 -","2","1","","Atienza, Roxanne L.; Roth, Howard S.; Scheidt, Karl A.","N-heterocyclic carbene-catalyzed rearrangements of vinyl sulfones.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1772","1776","10.1039/C1SC00194A","","","0.71073","MoKα","","0.0634","0.0404","","","0.0764","0.0947","","","","","","0.9","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515651","22.3613","0.0006","22.3613","0.0006","8.7343","0.0003","90","","90","","90","","4367.4","0.2","223","2","223","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.042","0.0383","","","0.1005","0.1043","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515652","9.1677","0.0001","11.1135","0.0002","13.3821","0.0002","68.696","0.001","78.909","0.001","81.699","0.001","1242.4","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 B F10 N -","- C27 H22 B F10 N -","- C54 H44 B2 F20 N2 -","2","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0466","0.045","","","0.1171","0.1184","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515653","18.5936","0.0009","9.2952","0.0006","26.1791","0.0017","90","","104.988","0.003","90","","4370.6","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 B F10 N -","- C23 H20 B F10 N -","- C184 H160 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.1085","0.0581","","","0.1251","0.1434","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515654","13.6638","0.0003","16.1258","0.0005","16.855","0.0006","90","","111.633","0.001","90","","3452.24","0.18","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 B F10 N -","- C38 H34 B F10 N -","- C152 H136 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0627","0.0546","","","0.1508","0.1589","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515655","18.8907","0.0006","17.3259","0.0006","16.9954","0.0006","90","","105.094","0.003","90","","5370.7","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 B F10 N -","- C28 H28 B F10 N -","- C224 H224 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0463","0.0409","","","0.1093","0.1143","","","","","","1.014","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515656","8.9726","0.0004","13.4786","0.0006","24.6543","0.0017","90","","93.952","0.004","90","","2974.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 B F10 N -","- C33 H24 B F10 N -","- C132 H96 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0855","0.0501","","","0.1222","0.1557","","","","","","1.106","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515657","17.8309","0.0007","21.5961","0.001","12.2832","0.0003","90","","90","","90","","4730","0.3","223","2","223","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C25 H20 B F10 N -","- C25 H20 B F10 N -","- C200 H160 B8 F80 N8 -","8","","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0413","0.038","","","0.0984","0.1023","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515658","12.1379","0.0004","14.0463","0.0005","13.5423","0.0005","90","","105.934","0.002","90","","2220.15","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 B F10 N -","- C23 H22 B F10 N -","- C92 H88 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0395","0.0366","","","0.0967","0.0996","","","","","","1.062","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515659","10.9724","0.0004","11.3362","0.0005","16.996","0.0007","90","","90","","90","","2114.05","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 B F10 N -","- C22 H20 B F10 N -","- C88 H80 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0397","0.0367","","","0.0893","0.0917","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515660","9.428","0.0004","11.0909","0.0006","14.6744","0.0008","108.637","0.003","96.263","0.003","105.831","0.002","1366.01","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 B F10 N O -","- C30 H26 B F10 N O -","- C60 H52 B2 F20 N2 O2 -","2","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0516","0.0442","","","0.1077","0.1137","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515661","20.3695","0.0008","9.2993","0.0007","21.591","0.001","90","","114.314","0.002","90","","3727.1","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 B F10 N O -","- C43 H38 B F10 N O -","- C172 H152 B4 F40 N4 O4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0828","0.0539","","","0.1336","0.1574","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515662","12.363","0.005","6.388","0.003","17.867","0.008","90","","98.728","0.004","90","","1394.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O -","- C16 H15 Br O -","- C64 H60 Br4 O4 -","4","2","","Li, Hui; Zhang, Fu-Min; Tu, Yong-Qiang; Zhang, Qing-Wei; Chen, Zhi-Min; Chen, Zhi-Hua; Li, Jian","Enantioselective bromination/semipinacol rearrangement for the synthesis of β-bromoketones containing an all-α-carbon quaternary center","Chemical Science","2011","2","9","1839","","10.1039/c1sc00295c","","","0.71073","MoKα","","0.0925","0.0473","","","0.0779","0.0901","","","","","","0.935","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515663","11.0022","0.0005","11.7354","0.0006","18.0634","0.001","90.254","0.003","94.779","0.003","117.609","0.003","2057.05","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H126 N6 O2 Si12 U2 -","- C56 H126 N6 O2 Si12 U2 -","- C56 H126 N6 O2 Si12 U2 -","1","0.5","","Arnold, Polly L.; Turner, Zoë R.; Bellabarba, Ronan M.; Tooze, Robert P.","Carbon monoxide coupling and functionalisation at a simple uranium coordination complex","Chemical Science","2011","2","1","77","","10.1039/c0sc00452a","","","0.71073","MoKα","","0.0314","0.0295","","","0.0659","0.0666","","","","","","1.204","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515664","30.0251","0.0006","15.6531","0.0003","22.4759","0.0004","90","","103.691","0.002","90","","10263.2","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H162 N9 O3 Si18 U3 -","- C57 H162 N9 O3 Si18 U3 -","- C228 H648 N36 O12 Si72 U12 -","4","1","","Arnold, Polly L.; Turner, Zoë R.; Bellabarba, Ronan M.; Tooze, Robert P.","Carbon monoxide coupling and functionalisation at a simple uranium coordination complex","Chemical Science","2011","2","1","77","","10.1039/c0sc00452a","","","0.7107","MoKα","","0.1118","0.0654","","","0.164","0.1752","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515665","36.218","0.007","12.304","0.003","31.224","0.01","90","","122.397","0.005","90","","11749","5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H60 B F20 N2 O2 P Zr -","- C57 H60 B F20 N2 O2 P Zr -","- C456 H480 B8 F160 N16 O16 P8 Zr8 -","8","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.1266","0.0587","","","0.1238","0.1425","","","","","","0.996","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515666","11.6507","0.0006","13.7877","0.0006","19.5448","0.0008","90","","90","","90","","3139.6","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 B F12 N2 O P -","- C30 H30 B F12 N2 O P -","- C120 H120 B4 F48 N8 O4 P4 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair–nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0485","0.0367","","","0.0803","0.0856","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515667","11.691","0.0005","12.8326","0.0005","13.5442","0.0006","63.637","0.002","88.082","0.002","72.341","0.002","1722.62","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 B2 F24 N4 O2 P2 -","- C60 H66 B2 F24 N4 O2 P2 -","- C60 H66 B2 F24 N4 O2 P2 -","1","0.5","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair–nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0664","0.0477","","","0.1264","0.1337","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515668","19.5019","0.001","16.3963","0.0007","21.7273","0.0011","90","","90","","90","","6947.5","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H36 B F12 N2 O P -","- C36 H36 B F12 N2 O P -","- C288 H288 B8 F96 N16 O8 P8 -","8","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair–nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0768","0.0421","","","0.0894","0.1042","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515669","9.5346","0.0005","21.1476","0.0009","17.6877","0.0008","90","","102.604","0.001","90","","3480.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 B Cl F3 O P2 -","- C37 H47 B Cl F3 O P2 -","- C148 H188 B4 Cl4 F12 O4 P8 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.06","0.0437","","","0.1075","0.1165","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515670","12.3838","0.0003","12.5415","0.0003","18.4913","0.0005","94.703","0.001","103.546","0.001","101.734","0.001","2708.21","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H42 B F20 N2 O P -","- C55 H42 B F20 N2 O P -","- C110 H84 B2 F40 N4 O2 P2 -","2","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair–nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0659","0.0423","","","0.101","0.108","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515671","15.6655","0.0007","12.5681","0.0006","21.5094","0.001","90","","93.812","0.002","90","","4225.5","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H43 B F15 N2 O P Zr -","- C42 H43 B F15 N2 O P Zr -","- C168 H172 B4 F60 N8 O4 P4 Zr4 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.1077","0.0576","","","0.13","0.149","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515672","39.2048","0.0018","39.2048","0.0018","39.2048","0.0018","90","","90","","90","","60258","5","173","2","173","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C120 H60 Cd13 O66 S24 -","- C120 H24 Cd13 O66 S24 -","- C960 H192 Cd104 O528 S192 -","8","0.0416667","","Yuan, Daqiang; Zhao, Dan; Timmons, Daren J.; Zhou, Hong-Cai","A stepwise transition from microporosity to mesoporosity in metal‒organic frameworks by thermal treatment","Chemical Science","2011","2","1","103","","10.1039/c0sc00320d","","","0.71073","MoKα","","0.073","0.0648","","","0.1561","0.1621","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515673","13.668","0.0006","12.3175","0.0006","24.2737","0.0012","90","","100.887","0.002","90","","4013.1","0.3","173","","173","","","","","","","","LOC ETH Zurich","4","P 1 21/n 1","-P 2yn","14","","","","- C40.25 H36.5 Cl0.5 N10 -","- C40.25 H36.5 Cl0.5 N10 -","- C161 H146 Cl2 N40 -","4","1","","Breiten, Benjamin; Wu, Yi-Lin; Jarowski, Peter D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Griesser, Markus; Onitsch, Christine; Gescheidt, Georg; Schweizer, W. Bernd; Langer, Nicolle; Lennartz, Christian; Diederich, François","Donor-substituted octacyano[4]dendralenes: a new class of cyano-rich non-planar organic acceptors","Chemical Science","2011","2","1","88","","10.1039/c0sc00387e","","","0.71073","MoKα","","0.1311","0.0746","","","0.1737","0.207","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515674","14.1265","0.0002","21.8947","0.0004","15.3826","0.0003","90","","93.6655","0.0009","90","","4748.04","0.14","123","","123","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 N10 -","- C52 H60 N10 -","- C208 H240 N40 -","4","1","","Breiten, Benjamin; Wu, Yi-Lin; Jarowski, Peter D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Griesser, Markus; Onitsch, Christine; Gescheidt, Georg; Schweizer, W. Bernd; Langer, Nicolle; Lennartz, Christian; Diederich, François","Donor-substituted octacyano[4]dendralenes: a new class of cyano-rich non-planar organic acceptors","Chemical Science","2011","2","1","88","","10.1039/c0sc00387e","","","0.71073","MoKα","","0.0949","0.0642","","","0.1729","0.1966","","","","","","1.155","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515675","6.9683","0.0013","21.374","0.004","12.566","0.003","90","","91.091","0.001","90","","1871.2","0.7","172","2","172","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O5 S -","- C19 H22 N2 O5 S -","- C76 H88 N8 O20 S4 -","4","1","","Stoll, Armin H.; Blakey, Simon B.","Rhodium catalyzed allene amidation: a facile entry into 2-amidoallylcations for unusual [3 + 3] annulation reactions","Chemical Science","2011","2","1","112","","10.1039/c0sc00375a","","","0.71073","MoKα","","0.0748","0.0471","","","0.1119","0.1252","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515676","12.6837","0.0003","8.7119","0.0003","13.9765","0.0004","90","","110.965","0.001","90","","1442.15","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N O5 S -","- C11 H19 N O5 S -","- C44 H76 N4 O20 S4 -","4","1","","Stoll, Armin H.; Blakey, Simon B.","Rhodium catalyzed allene amidation: a facile entry into 2-amidoallylcations for unusual [3 + 3] annulation reactions","Chemical Science","2011","2","1","112","","10.1039/c0sc00375a","","","1.54178","CuKα","","0.0692","0.065","","","0.1919","0.1965","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515677","35.8601","0.0011","6.0216","0.0002","23.1924","0.0006","90","","111.979","0.001","90","","4644.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H29.5 Cl1.5 N O2 S -","- C25.5 H29.5 Cl1.5 N O2 S -","- C204 H236 Cl12 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.077","0.0592","","","0.1641","0.1786","","","","","","1.053","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515678","8.962","0.0007","10.4716","0.0007","12.3795","0.001","90","","100.903","0.003","90","","1140.8","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C56 H58 N2 O4 S2 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0493","0.0432","","","0.1153","0.1227","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515679","13.6368","0.0012","7.9693","0.0008","21.253","0.0017","90","","97.724","0.002","90","","2288.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O2 S -","- C27 H27 N O2 S -","- C108 H108 N4 O8 S4 -","4","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0563","0.0483","","","0.1327","0.1393","","","","","","1.109","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515680","52.0309","0.0019","6.2004","0.0002","16.2321","0.0006","90","","98.15","0.002","90","","5183.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 N O2 S -","- C33 H31 N O2 S -","- C264 H248 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0464","0.0396","","","0.1089","0.1219","","","","","","1.103","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515681","34.3459","0.0017","11.0908","0.0006","12.4392","0.0005","90","","90","","90","","4738.4","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C224 H232 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0676","0.048","","","0.126","0.1386","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515682","10.0661","0.0009","11.2303","0.0012","12.7093","0.0012","108.467","0.005","92.142","0.005","102.893","0.005","1319.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 O4 S2 -","- C32 H32 O4 S2 -","- C64 H64 O8 S4 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0495","0.0412","","","0.1105","0.1158","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515683","10.7285","0.0012","10.9833","0.0012","13.0463","0.0012","111.389","0.005","92.772","0.005","103.536","0.006","1376.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 O4 S2 -","- C33 H34 O4 S2 -","- C66 H68 O8 S4 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.1108","0.0729","","","0.1838","0.21","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515684","35.624","0.0018","20.7297","0.001","25.0866","0.0013","90","","101.416","0.001","90","","18159.3","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 Gd8 N4 O73 P8 -","- C112 H222 Co8 Gd8 N4 O73 P8 -","- C448 H888 Co32 Gd32 N16 O292 P32 -","4","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.1258","0.0815","","","0.1849","0.2154","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515685","22.622","0.003","11.63","0.0017","30.189","0.004","90","","97.612","0.002","90","","7872.5","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H198 Co8 Gd4 O50 P6 -","- C104 H198 Co8 Gd4 O50 P6 -","- C208 H396 Co16 Gd8 O100 P12 -","2","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.2075","0.1227","","","0.271","0.319","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515686","13.55","0.0013","29.003","0.003","18.2506","0.0017","90","","97.588","0.002","90","","7109.5","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H174 Co4 Gd6 N2 O46 P6 -","- C116 H174 Co4 Gd6 N2 O46 P6 -","- C232 H348 Co8 Gd12 N4 O92 P12 -","2","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.0804","0.066","","","0.1776","0.1909","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515687","14.7192","0.0007","20.6103","0.0009","21.1775","0.0009","90","","90","","90","","6424.6","0.5","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H88 Cl2 N8 O5 Zr2 -","- C64 H88 Cl2 N8 O5 Zr2 -","- C256 H352 Cl8 N32 O20 Zr8 -","4","1","","Nguyen, Andy I.; Zarkesh, Ryan A.; Lacy, David C.; Thorson, Megan K.; Heyduk, Alan F.","Catalytic nitrene transfer by a zirconium(iv) redox-active ligand complex","Chemical Science","2011","2","1","166","","10.1039/c0sc00414f","","","0.71073","MoKα","","0.0518","0.0376","","","0.0829","0.0892","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515688","19.6876","0.0005","18.0489","0.0004","24.2236","0.0007","90","","104.85","0.0009","90","","8320.1","0.4","123.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H50 B2 F48 Pt3 -","- C84 H50 B2 F48 Pt3 -","- C336 H200 B8 F192 Pt12 -","4","0.5","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0525","","","","0.1717","","","","","","1.202","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515689","27.639","0.003","14.661","0.002","17.671","0.002","90","","103.616","0.002","90","","6959.3","1.4","123.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H70 B F4 N P4 Pt2 -","- C81 H60 B F4 N P4 Pt2 -","- C324 H240 B4 F16 N4 P16 Pt8 -","4","0.5","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0494","","","","0.1489","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515690","13.742","0.001","20.974","0.002","14.377","0.002","90","","99.419","0.003","90","","4087.9","0.8","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H43 B F4 P2 Pt -","- C49 H27 B F4 P2 Pt -","- C196 H108 B4 F16 P8 Pt4 -","4","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0767","","","","0.2191","","","","","","1.288","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515691","12.3189","0.0005","15.2911","0.0006","16.4704","0.0005","97.219","0.001","90.674","0.001","105.503","0.001","2962.6","0.19","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H41 B Cl2 F30 Pt3 -","- C60 H41 B Cl2 F30 Pt3 -","- C120 H82 B2 Cl4 F60 Pt6 -","2","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0561","","","","0.1575","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515692","11.4558","0.0004","19.1713","0.0007","25.517","0.001","90","","103.809","0.001","90","","5442.1","0.3","123.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H39 B F24 Pt3 -","- C56 H39 B F24 Pt3 -","- C224 H156 B4 F96 Pt12 -","4","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0454","","","","0.0563","","","","","","1.079","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515745","11.2608","0.0007","17.8234","0.0011","20.1891","0.0013","90","","98.705","0.001","90","","4005.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H38 N4 S3 -","- C52 H38 N4 S3 -","- C208 H152 N16 S12 -","4","1","","Wang, Qiwei; Wong, Wai-Yeung","New low-bandgap polymetallaynes of platinum functionalized with a triphenylamine-benzothiadiazole donor–acceptor unit for solar cell applications","Polymer Chemistry","2011","2","2","432","","10.1039/c0py00273a","","","0.71073","MoKα","","0.0877","0.0575","","","0.1505","0.1698","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515746","13.0853","0.0006","18.0594","0.0006","18.6508","0.0009","79.027","0.003","75.275","0.002","72.973","0.003","4043.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C132.31 H129.21 Cl32.03 N8 O17.63 Zn -","- C132.31 H127.574 Cl32.034 N8 O17.632 Zn -","- C132.31 H127.574 Cl32.034 N8 O17.632 Zn -","1","0.5","","Hashem, Mohammed; Grazia Bezzu, C.; Kariuki, Benson M.; McKeown, Neil B.","Enhancing the rigidity of a network polymer of intrinsic microporosity by the combined use of phthalocyanine and triptycene components,","Polymer Chemistry","2011","2","10","2190","","10.1039/c1py00288k","","","0.71073","MoKα","","0.213","0.1629","","","0.4436","0.4765","","","","","","1.651","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515747","11.276","0.002","26.738","0.005","9.1772","0.0018","90","","94.07","0.03","90","","2759.9","0.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H24 N5 Ni O14 Sm -","- C21 H24 N5 Ni O14 Sm -","- C84 H96 N20 Ni4 O56 Sm4 -","4","1","","Xiao, Guoqi; Yan, Bing; Ma, Rui; Jin, Wen Juan; Lü, Xing Qiang; Ding, Li Qin; Zeng, Chu; Chen, Lei Lei; Bao, Feng","Bulk ring-opening polymerization (ROP) of L-lactide catalyzed by Ni(ii) and Ni(ii)-Sm(iii) complexes based on a salen-type schiff-base ligand","Polymer Chemistry","2011","2","3","659","","10.1039/c0py00385a","","","0.71073","MoKα","","0.1144","0.052","","","0.1147","0.1491","","","","","","0.827","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515748","18.34","0.0006","6.7435","0.0002","20.8688","0.0007","90","","102.043","0.004","90","","2524.16","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N Si2 -","- C25 H31 N Si2 -","- C100 H124 N4 Si8 -","4","1","","Chen, Chih-Hsien; Lee, Shern-Long; Lim, Tsong-Shin; Chen, Chun-hsien; Luh, Tien-Yau","Influence of polymer conformations on the aggregation behaviour of alternating dialkylsilylene-[4,4′-divinyl(cyanostilbene)] copolymers","Polymer Chemistry","2011","2","12","2850","","10.1039/c1py00259g","","","1.54178","CuKα","","0.1375","0.1148","","","0.3246","0.3404","","","","","","2.275","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515749","8.858","0.004","16.147","0.008","10.691","0.004","90","","111.088","0.017","90","","1426.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl2 Hg N2 Se -","- C11 H12 Cl2 Hg N2 Se -","- C44 H48 Cl8 Hg4 N8 Se4 -","4","1","","Choi, Jaewon; Park, So Yeon; Yang, Hye Yun; Kim, Hae Jin; Ihm, Kyuwook; Nam, Jeong Ho; Ahn, Joung Real; Son, Seung Uk","Submicro-polymer particles bearing imidazoline-2-selenone: dual mode adsorbents with color-sensing for halogens and mercury ions","Polymer Chemistry","2011","2","11","2512","","10.1039/c1py00260k","","","0.71073","MoKα","","0.1522","0.0536","","","0.1052","0.1355","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515750","11.043","0.003","13.2414","0.0015","13.5068","0.0015","119.056","0.002","94.309","0.002","102.937","0.002","1643","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 Fe Si2 -","- C16 H20 Fe Si2 -","- C64 H80 Fe4 Si8 -","4","2","","Chabanne, Laurent; Matas, Inmaculada; Patra, Sanjib K.; Manners, Ian","Organic-metalloblock copolymers via photocontrolled living anionic ring-opening polymerization","Polymer Chemistry","2011","2","11","2651","","10.1039/c1py00298h","","","0.71073","MoKα","","0.034","0.0288","","","0.0826","0.0974","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515892","11.83","0.002","12.567","0.001","13.948","0.005","90.41","0.02","107.95","0.02","96.696","0.008","1957.2","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H52 Cl2 Cu2 N6 O5 -","- C33 H52 Cl2 Cu2 N6 O5 -","- C66 H104 Cl4 Cu4 N12 O10 -","2","1","","Lee, Wan Yen; Lee, Peter Peng Foo; Yan, Yaw Kai; Lau, Mathew","Cytotoxic copper(II) salicylaldehyde semicarbazone complexes: mode of action and proteomic analysis.","Metallomics : integrated biometal science","2010","2","10","694","705","10.1039/c0mt00016g","","","0.71073","MoKα","","0.0548","0.0413","","","0.1011","0.1067","","","","","","1.135","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1515893","9.9082","0.0005","30.6676","0.0009","11.2189","0.0004","90","","107.661","0.005","90","","3248.3","0.2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 Cl N2 O4 Sn -","- C34 H37 Cl N2 O4 Sn -","- C136 H148 Cl4 N8 O16 Sn4 -","4","1","","Kaluđerović, Goran N; Kommera, Harish; Hey-Hawkins, Evamarie; Paschke, Reinhard; Gómez-Ruiz, Santiago","Synthesis and biological applications of ionic triphenyltin(IV) chloride carboxylate complexes with exceptionally high cytotoxicity.","Metallomics : integrated biometal science","2010","2","6","419","428","10.1039/c0mt00007h","","","0.71073","MoKα","","0.0837","0.0558","","","0.1264","0.1352","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515894","13.205","0.004","16.068","0.004","21.477","0.006","90","","105.504","0.01","90","","4391","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H59 Co N3 O5.5 -","- C45 H54 Co N3 O5.5 -","- C180 H216 Co4 N12 O22 -","4","1","","Saha, Sounik; Majumdar, Ritankar; Dighe, Rajan R.; Chakravarty, Akhil R.","Enhanced photodynamic effect of cobalt(III) dipyridophenazine complex on thyrotropin receptor expressing HEK293 cells.","Metallomics : integrated biometal science","2010","2","11","754","765","10.1039/c0mt00028k","","","0.71073","MoKα","","0.2535","0.1025","","","0.2441","0.331","","","","","","0.954","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515895","9.3886","0.0003","26.4945","0.0008","13.4424","0.0004","90","","93.837","0.002","90","","3336.25","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Cl F In N8 O10 -","- C31 H41 Cl F In N8 O10 -","- C124 H164 Cl4 F4 In4 N32 O40 -","4","1","","Garcia, Raquel; Kubíček, Vojtěch; Drahoš, Bohuslav; Gano, Lurdes; Santos, Isabel C.; Campello, Paula; Paulo, António; Tóth, Eva; Santos, Isabel","Synthesis, characterization and biological evaluation of In(III) complexes anchored by DOTA-like chelators bearing a quinazoline moiety.","Metallomics : integrated biometal science","2010","2","8","571","580","10.1039/c004797j","","","0.71073","MoKα","","0.0558","0.0395","","","0.0894","0.0943","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515896","9.3384","0.0013","10.8469","0.0015","12.0839","0.0016","99.18","0.003","104.737","0.003","109.772","0.003","1072.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H22 Cl12 N4 O10 -","- C42 H22 Cl12 N4 O10 -","- C42 H22 Cl12 N4 O10 -","1","0.5","","Pandurangan, Komala; Gallagher, Shane; Morgan, Grace G.; Müller-Bunz, Helge; Paradisi, Francesca","Structure and antibacterial activity of the silver(I) complex of 2-aminophenoxazine-3-one.","Metallomics : integrated biometal science","2010","2","8","530","534","10.1039/c003515g","","","0.71073","MoKα","","0.0506","0.0384","","","0.0896","0.0944","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515897","5.1653","0.0006","10.3434","0.0011","11.0739","0.0012","99.015","0.002","98.899","0.002","91.963","0.002","576.26","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Ag N3 O5 -","- C12 H8 Ag N3 O5 -","- C24 H16 Ag2 N6 O10 -","2","1","","Pandurangan, Komala; Gallagher, Shane; Morgan, Grace G.; Müller-Bunz, Helge; Paradisi, Francesca","Structure and antibacterial activity of the silver(I) complex of 2-aminophenoxazine-3-one.","Metallomics : integrated biometal science","2010","2","8","530","534","10.1039/c003515g","","","0.71073","MoKα","","0.0341","0.0317","","","0.0781","0.0794","","","","","","1.111","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515962","18.5474","0.0014","18.5474","0.0014","18.5474","0.0014","90","","90","","90","","6380.4","0.8","298","2","298","2","","","","","","","synthesis","4","P n -3 n","-P 4a 2bc 3","222","","","","- C120 H84 N48 Zn12 -","- C120 H72 N48 O6 Zn12 -","- C240 H144 N96 O12 Zn24 -","2","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515963","15.55503","0.00099","15.55503","0.00099","20.0304","0.0016","90","","90","","90","","4846.5","0.6","298","2","298","2","","","","","","","synthesis","5","P 42/n c m","-P 4ac 2ac","138","","","","- C34 H38 N12 O6 Zn3 -","- C27 H17 N12 Zn3 -","- C108 H68 N48 Zn12 -","4","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515964","15.4625","0.0013","15.4625","0.0013","20.0474","0.0022","90","","90","","90","","4793.1","0.8","298","2","298","2","","","","","","","synthesis","5","P 42/n c m","-P 4ac 2ac","138","","","","- C38 H70 Co3 N12 O18 -","- C27 H17 Co3 N12 -","- C108 H68 Co12 N48 -","4","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515965","18.80701","0.00076","18.80701","0.00076","18.80701","0.00076","90","","90","","90","","6652.1","0.5","298","2","298","2","","","","","","","synthesis","5","P m -3 m","-P 4 2 3","221","","","","- C38 H70 Cu3 N12 O18 -","- C30 H18 Cu3 N12 O3 -","- C120 H72 Cu12 N48 O12 -","4","0.0833333","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515966","18.54898","0.00083","18.54898","0.00083","18.54898","0.00083","90","","90","","90","","6382","0.5","298","2","298","2","","","","","","","synthesis","5","P m -3 m","-P 4 2 3","221","","","","- C33 H50 N12 Ni3 O13 -","- C30 H18 N12 Ni3 O3 -","- C120 H72 N48 Ni12 O12 -","4","0.0833333","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515967","12.0405","0.0003","17.1549","0.0004","10.0631","0.0003","90","","90.406","0.001","90","","2078.52","0.09","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N2 O3 -","- C23 H23 N2 O3 -","- C92 H92 N8 O12 -","4","1","","Graham, Thomas J. A.; Shields, Jason D.; Doyle, Abigail G.","Transition metal-catalyzed cross coupling with N-acyliminium ions derived from quinolines and isoquinolines","Chemical Science","2011","2","5","980","","10.1039/c1sc00026h","","","0.71073","MoKα","","0.058","0.0479","","","0.1272","0.1376","","","","","","1.018","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1516483","11.1602","0.0002","8.3306","0.0002","21.5276","0.0006","90","","100.005","0.0014","90","","1971.01","0.08","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C112 H76 N4 O8 -","4","1","","Reid, Gavin D.; Whittaker, Douglas J.; Roth, Wolfgang; Whitaker, Benjamin J.; Williamson, Matthew J. I.; Beddard, Godfrey S.","Excited State Dynamics and Rapid Internal Conversion in a Stable Dipole Molecule","Photochemical & Photobiological Sciences","2003","2","5","585","590","10.1039/b301728a","","","0.71073","MoKα","","0.0579","0.042","","","0.1044","0.1139","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516484","11.154","0.004","12.559","0.002","14.72","0.013","73.76","0.04","74.41","0.06","82.1","0.02","1902.6","1.9","295","","295","","","","","","","","?","4","P -1","-P 1","2","","","","- C34 H46 N7 O8 -","- C34 H41 N7 O8 -","- C68 H82 N14 O16 -","2","1","","Darcos, Vincent; Griffith, Kirsten; Sallenave, Xavier; Desvergne, Jean-Pierre; Guyard-Duhayon, Carine; Hasenknopf, Bernold; Bassani, Dario M.","Supramolecular control of [2 + 2] photodimerization via hydrogen bonding","Photochemical & Photobiological Sciences","2003","2","11","1152","1161","10.1039/b307525g","","","0.71073","MoKα","","0.2604","0.1391","","0.2282","0.1461","0.1461","","","","","","0.9413","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516485","30.3283","0.0005","12.9666","0.0002","7.8988","0.0001","90","","96.205","0.001","90","","3088.04","0.08","100","0.1","100","0.1","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","2003va01jp01","","","- C20 H15 N O S -","- C20 H15 N O S -","- C160 H120 N8 O8 S8 -","8","2","","Pérez-Prieto, Julia; Galian, Raquel E.; Morant-Miñana, Maria C.; Miranda, Miguel A.","Steady-state and time-resolved studies on the formation of skatolyl radicals photosensitized by 2-benzoylthiophene","Photochemical & Photobiological Sciences","2003","2","11","1200","1204","10.1039/b307346g","","x-ray","1.54184","CuKα","","0.0926","0.0687","","","0.1728","0.1838","","","","","","0.939","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516486","12.139","0.003","13.875","0.003","15.819","0.004","77.15","0.004","83.416","0.004","75.489","0.004","2509.9","1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","co-crystal 1a/2a","","","- C56 H30 F22 S4 -","- C56 H30 F22 S4 -","- C112 H60 F44 S8 -","2","1","","Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro","Photochromism of diarylethenes in nanolayers of a single crystal","Photochemical & Photobiological Sciences","2003","2","11","1088","1094","10.1039/b307999f","","","0.71073","MoKα","","0.0792","0.0473","","","0.1177","0.1481","","","","","","1.059","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516487","11.737","0.012","13.717","0.014","15.352","0.015","76.844","0.016","83.197","0.016","75.445","0.015","2325","4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","co-crystal 1a/2a'","","","- C56 H30 F22 S4 -","- C56 H30 F22 S4 -","- C112 H60 F44 S8 -","2","1","","Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro","Photochromism of diarylethenes in nanolayers of a single crystal","Photochemical & Photobiological Sciences","2003","2","11","1088","1094","10.1039/b307999f","","","0.71073","MoKα","","0.195","0.0822","","","0.201","0.264","","","","","","0.934","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516488","17.2708","0.0019","5.714","0.0005","23.476","0.003","90","","98.234","0.005","90","","2292.9","0.4","173","2","17","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-[cis, cis-2,3-bis(Benzyloxymethyl)cyclopropyl] 1-[4-carbomethoxyphenyl] methanone","","- C28 H28 O5 -","- C28 H28 O5 -","- C112 H112 O20 -","4","1","","Charette, André B.; Chong, Kenneth C. W.; Fournier, Jean-François; Patrick, Brian; Scheffer, John R.","Asymmetric synthesis in a Norrish type II cleavage reaction induced by crystal chirality","Photochemical & Photobiological Sciences","2003","2","11","1052","1055","10.1039/b309256a","","","0.71073","MoKα","","0.0962","0.0648","","","0.1106","0.1202","","","","","","1.097","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516489","10.872","0.002","23.494","0.005","24.378","0.005","90","","93.585","0.005","90","","6215","2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O -","- C27 H23 N O -","- C324 H276 N12 O12 -","12","3","","Yang, Jye-Shane; Wang, Chin-Min; Hwang, Chung-Yu; Liau, Kang-Ling; Chiou, Shih-Yi","Origin of the N-methyl and N-phenyl substituent effects on the fluorescence vibronic structures of trans-4-aminostilbene and its derivatives in hexane","Photochemical & Photobiological Sciences","2003","2","11","1225","1231","10.1039/b306226k","","","0.71073","MoKα","","0.2682","0.1055","","","0.2354","0.2901","","","","","","0.972","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516490","26.9628","0.0009","15.3036","0.0004","6.9176","0.0002","90","","90","","90","","2854.39","0.15","295","1","295","1","","","","","","","LCSV","3","P b c a","-P 2ac 2ab","61","Flavanone 5","","","- C19 H14 O2 -","- C19 H14 O2 -","- C152 H112 O16 -","8","1","","Sundaryono, Agus; Nourmamode, Aziz; Gardrat, Christian; Grelier, Stéphane; Bravic, Georges; Chasseau, Daniel; Castellan, Alain","Studies on the photochemistry of 1,7-diphenyl-1,6-heptadiene-3,5-dione, a non-phenolic curcuminoid model","Photochemical & Photobiological Sciences","2003","2","9","914","920","10.1039/b301229h","","","0.71073","MoKα","","","0.049","","0.123","","","","","0.999","","","","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1517519","11.3613","0.0003","11.8938","0.0003","14.2579","0.0003","90.003","0.002","98.289","0.002","101.17","0.002","1869.64","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H22 Cl4 F6 N6 Pt2 S2 -","- C37 H22 Cl4 F6 N6 Pt2 S2 -","- C74 H44 Cl8 F12 N12 Pt4 S4 -","2","1","","Sicilia, Violeta; Borja, Pilar; Martín, Antonio","Half-Lantern Pt(II) and Pt(III) Complexes. New Cyclometalated Platinum Derivatives","Inorganics","2014","2","3","508","","10.3390/inorganics2030508","","","0.71073","MoKα","","0.025","0.0207","","","0.0446","0.0465","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517520","11.4798","0.0002","11.8668","0.0002","14.4711","0.0003","88.942","0.002","81.111","0.002","78.41","0.002","1907.82","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H22 Br2 Cl2 F6 N6 Pt2 S2 -","- C37 H22 Br2 Cl2 F6 N6 Pt2 S2 -","- C74 H44 Br4 Cl4 F12 N12 Pt4 S4 -","2","1","","Sicilia, Violeta; Borja, Pilar; Martín, Antonio","Half-Lantern Pt(II) and Pt(III) Complexes. New Cyclometalated Platinum Derivatives","Inorganics","2014","2","3","508","","10.3390/inorganics2030508","","","0.71073","MoKα","","0.0277","0.0232","","","0.0516","0.0534","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517797","4.795","","4.795","","15.87","","90","","90","","120","","315.998","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Calcium Magnesium Carbonate","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Wasastjerna, J.A.","Crystal structure of dolomite","Societas Scientiarum Fennica. Commentationes Physicomathematicae II","1925","2","","1","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1518164","10.641","0.002","14.542","0.003","20.465","0.004","83.247","0.002","78.545","0.002","75.244","0.002","2993.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 Au N2 P -","- C35 H34 Au N2 P -","- C140 H136 Au4 N8 P4 -","4","2","","Lane, Andrew; Barnes, Charles; Vollmer, Matthew; Walensky, Justin","Reactivity of Mononuclear and Dinuclear Gold(I) Amidinate Complexes with CS2 and CsBr3","Inorganics","2014","2","4","540","","10.3390/inorganics2040540","","","0.71073","MoKα","","0.0343","0.0236","","","0.0498","0.0536","","","","","","0.966","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518165","38.566","0.002","8.7877","0.0005","27.081","0.0017","90","","129.469","0.001","90","","7085.1","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 Au N2 O0.5 P S2 -","- C38 H38 Au N2 O0.5 P S2 -","- C304 H304 Au8 N16 O4 P8 S16 -","8","1","","Lane, Andrew; Barnes, Charles; Vollmer, Matthew; Walensky, Justin","Reactivity of Mononuclear and Dinuclear Gold(I) Amidinate Complexes with CS2 and CsBr3","Inorganics","2014","2","4","540","","10.3390/inorganics2040540","","","0.71073","MoKα","","0.0345","0.0231","","","0.0497","0.0535","","","","","","1.025","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518166","8.3937","0.0002","15.4728","0.0004","29.2585","0.0008","99.133","0.001","96.062","0.001","102.161","0.001","3629.3","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H76 Au4 N8 S8 -","- C72 H76 Au4 N8 S8 -","- C144 H152 Au8 N16 S16 -","2","1","","Lane, Andrew; Barnes, Charles; Vollmer, Matthew; Walensky, Justin","Reactivity of Mononuclear and Dinuclear Gold(I) Amidinate Complexes with CS2 and CsBr3","Inorganics","2014","2","4","540","","10.3390/inorganics2040540","","","1.54178","CuKα","","0.0201","0.0183","","","0.0427","0.0435","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518341","31.136","0.009","20.048","0.006","15.849","0.004","90","","108.347","0.005","90","","9390","5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H92 Cd3 N8 O23 -","- C80 H74 Cd3 N6 O21 -","- C320 H296 Cd12 N24 O84 -","4","0.5","","Yi, Fei-Yan; Wang, Ying; Li, Jian-Ping; Wu, Dai; Lan, Ya-Qian; Sun, Zhong-Ming","An ultrastable porous metal‒organic framework luminescent switch towards aromatic compounds","Mater. Horiz.","2015","2","2","245","","10.1039/C4MH00210E","","","0.71073","MoKα","","0.1211","0.0841","","","0.2592","0.2854","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518518","11.167","0.001","13.257","0.001","14.878","0.001","90","","90","0.001","90","","2202.6","0.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Cl2 Fe N O Pt S -","- C21 H25 Cl2 Fe N O Pt S -","- C84 H100 Cl8 Fe4 N4 O4 Pt4 S4 -","4","1","","López, Concepción; Bosque, Ramón; Pujol, Marta; Simó, Jonathan; Sevilla, Eila; Font-Bardía, Mercè; Messeguer, Ramon; Calvis, Carme","Experimental and Theoretical Studies of the Factors Affecting the Cycloplatination of the Chiral Ferrocenylaldimine (SC)-[(η5-C5H5)Fe{(η5-C5H4)‒C(H)=N‒CH(Me)(C6H5)}]","Inorganics","2014","2","4","620","","10.3390/inorganics2040620","","","0.71069","MoKα","","0.0514","0.0418","","","0.1301","0.1414","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518519","16.296","0.003","16.357","0.003","16.854","0.003","77.37","0.03","75.89","0.03","80.58","0.03","4222.5","1.5","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Au8 F24 Mo12 O46 P8 Si -","- C144 H92 Au8 F24 Mo12 O46 P8 Si -","- C144 H92 Au8 F24 Mo12 O46 P8 Si -","1","0.5","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.1042","0.0915","","","0.238","0.2502","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518520","20.478","0.003","20.478","0.003","36.726","0.007","90","","90","","120","","13338","4","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C168 H168 Au8 O46 P8 Si W12 -","- C168 H168 Au8 O46 P8 Si W12 -","- C504 H504 Au24 O138 P24 Si3 W36 -","3","0.166667","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.0558","0.0547","","","0.1212","0.1217","","","","","","1.311","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518521","20.3813","0.0007","20.3813","0.0007","36.679","0.002","90","","90","","120","","13195.1","1","100","","100","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C168 H168 Au8 Mo12 O46 P8 Si -","- C168 H168 Au8 Mo12 O46 P8 Si -","- C504 H504 Au24 Mo36 O138 P24 Si3 -","3","0.166667","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.039","0.0376","","","0.0855","0.0862","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518522","16.191","0.002","29.165","0.004","35.365","0.004","99.801","0.002","99.153","0.002","104.963","0.002","15532","3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H73 Au6 F18 Mo12 O42 P7 -","- C108 H64.5 Au6 F18 Mo12 O42 P7 -","- C432 H258 Au24 F72 Mo48 O168 P28 -","4","2","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.1077","0.0723","","","0.1625","0.1753","","","","","","1.027","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1518523","17.7243","0.0011","17.8341","0.001","31.757","0.0018","104.826","0.001","92.64","0.002","109.685","0.001","9040","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C147 H147 Au7 O42 P8 W12 -","- C147 H147 Au7 O43 P8 W12 -","- C294 H294 Au14 O86 P16 W24 -","2","1","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.2417","0.1466","","","0.3848","0.4614","","","","","","1.373","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518524","31.03","0.02","7.961","0.006","11.718","0.009","90","","97.377","0.009","90","","2871","4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl2 N4 S4 Sn -","- C24 H26 Cl2 N4 S4 Sn -","- C96 H104 Cl8 N16 S16 Sn4 -","4","0.5","","Burkett, Eon; Siddiquee, Tasneem","Coordination Nature of 4-Mercaptoaniline to Sn(II) Ion: Formation of a One Dimensional Coordination Polymer and Its Decomposition to a Mono Nuclear Sn(IV) Complex","Inorganics","2014","2","4","652","","10.3390/inorganics2040652","","x-ray","0.71075","MoKα","","0.0373","0.0321","","","0.0798","0.0832","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518525","17.328","0.014","12.16","0.009","7.253","0.006","90","","95.404","0.001","90","","1521","2","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cl N2 O S2 Sn -","- C12 H15 Cl N2 O S2 Sn -","- C48 H60 Cl4 N8 O4 S8 Sn4 -","4","1","","Burkett, Eon; Siddiquee, Tasneem","Coordination Nature of 4-Mercaptoaniline to Sn(II) Ion: Formation of a One Dimensional Coordination Polymer and Its Decomposition to a Mono Nuclear Sn(IV) Complex","Inorganics","2014","2","4","652","","10.3390/inorganics2040652","","x-ray","0.71075","MoKα","","0.0974","0.0536","","","0.0904","0.1091","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519040","5.4766","0.0001","12.4659","0.0002","12.5282","0.0002","90","","90","","90","","855.31","0.02","","","293","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Mn3 O10 Sr4 -","- Mn3 O10 Sr4 -","- Mn12 O40 Sr16 -","4","","","Nicolas Floros; Maryvonne Hervieu; Gustav van Tendeloo; Claude Michel; Antoine Maignan; Bernard Raveau","The layered manganate Sr4-xBaxMn3O10: synthesis, structural and magnetic properties","Solid State Sciences","1998","2","","1","9","","","x-ray","1.5418","CuKα","","","","","","","","","0.0502","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519041","5.5238","0.0002","12.6485","0.0005","12.5762","0.0005","90","","90","","90","","878.67","0.06","","","293","","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Ba Mn3 O10 Sr3 -","- Ba Mn3 O10 Sr3 -","- Ba4 Mn12 O40 Sr12 -","4","","","Nicolas Floros; Maryvonne Hervieu; Gustav van Tendeloo; Claude Michel; Antoine Maignan; Bernard Raveau","The layered manganate Sr4-xBaxMn3O10: synthesis, structural and magnetic properties","Solid State Sciences","1998","2","","1","9","","","x-ray","1.5418","CuKα","","","","","","","","","0.0766","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519042","5.5753","0.0003","12.8311","0.0006","12.6255","0.0006","90","","90","","90","","903.19","0.08","","","293","","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Ba2 Mn3 O10 Sr2 -","- Ba2 Mn3 O10 Sr2 -","- Ba8 Mn12 O40 Sr8 -","4","","","Nicolas Floros; Maryvonne Hervieu; Gustav van Tendeloo; Claude Michel; Antoine Maignan; Bernard Raveau","The layered manganate Sr4-xBaxMn3O10: synthesis, structural and magnetic properties","Solid State Sciences","1998","2","","1","9","","","x-ray","1.5418","CuKα","","","","","","","","","0.047","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519043","5.5988","0.0003","12.8955","0.0007","12.6433","0.0007","90","","90","","90","","912.84","0.09","","","293","","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Ba2.5 Mn3 O10 Sr1.5 -","- Ba2.5 Mn3 O10 Sr1.5 -","- Ba10 Mn12 O40 Sr6 -","4","","","Nicolas Floros; Maryvonne Hervieu; Gustav van Tendeloo; Claude Michel; Antoine Maignan; Bernard Raveau","The layered manganate Sr4-xBaxMn3O10: synthesis, structural and magnetic properties","Solid State Sciences","1998","2","","1","9","","","x-ray","1.5418","CuKα","","","","","","","","","0.0408","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519044","5.49251","0.00006","7.76023","0.00009","5.52759","0.00006","90","","90","","90","","235.603","0.005","","","300","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- Ba0.23 La0.12 Mn O3 Pr0.58 Sr0.07 -","- Ba0.23 La0.12 Mn O3 Pr0.58 Sr0.07 -","- Ba0.92 La0.48 Mn4 O12 Pr2.32 Sr0.28 -","4","0.25","","Lide M. Rodriguez-Martinez; Helmut Ehrenberg; J. Paul Attfield","Disorder effects on structural and electronic transitions in high tolerance factor manganite perovskites","Solid State Sciences","1998","2","","11","16","","powder diffraction","x-ray","1.20696","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519045","13.6378","0.0011","9.1124","0.0008","10.7978","0.0009","90","","98.601","0.007","90","","1326.78","0.19","","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ag N3 O3 -","","","4","1","","Robert L. LaDuca Jr.; Randy S. Rarig Jr.; Pamela J. Zapf; Jon Zubieta","Ag (I)-organodiimine coordination complex polymers: structural influences of ligand geometries and charge-compensating oxoanions","Solid State Sciences","1998","2","","39","45","","","x-ray","0.71073","MoKα","","","0.0738","","","0.1315","","","","","","","","","","","","191028","2020-10-21","18:00:00",""
"1519046","8.559","0.006","10.944","0.009","14.534","0.011","106.13","0.01","97.72","0.01","95.89","0.02","1281.9","1.7","","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Ag2 N4 O10 S -","","","2","1","","Robert L. LaDuca Jr.; Randy S. Rarig Jr.; Pamela J. Zapf; Jon Zubieta","Ag (I)-organodiimine coordination complex polymers: structural influences of ligand geometries and charge-compensating oxoanions","Solid State Sciences","1998","2","","39","45","","","x-ray","0.71073","MoKα","","","0.025","","","0.0647","","","","","","","","","","","","191028","2020-10-21","18:00:00",""
"1519047","5.743","0.001","7.931","0.001","9.313","0.001","68.54","0.01","85.78","0.01","84.5","0.01","392.62","0.1","","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C2 H14 Mn3 N2 O16 V4 -","- C2 Mn3 N2 O16 V4 -","- C2 Mn3 N2 O16 V4 -","1","0.5","","Ian D. Williams; Teresa S.-C. Law; Herman H-Y. Sung; Ge-Hui Wen; Xi-Xiang Zhang","Organo-directed synthesis of a 3-D open-framework mixed-metal oxide, [enH2][Mn3(V2O7)2(H2O)2], incorporating metal trimer building blocks","Solid State Sciences","1998","2","","47","55","","","x-ray","0.71073","MoKα","","","0.0249","","","0.0655","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519048","5.8878","0.0004","7.6158","0.0006","10.3916","0.0008","90","","90.738","0.002","90","","465.92","0.06","","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ba2 Co O4 -","- Ba2 Co O4 -","- Ba8 Co4 O16 -","4","1","","Khalid Boulahya; Marina Parras; Angel Vegas; Jose M Gonzalez-Calbet","A comparative crystal chemical analysis of Ba2CoO4 and BaCoO3","Solid State Sciences","1998","2","","57","64","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0654","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519049","6.906","0.002","9.018","0.004","9.271","0.002","92.21","0.03","104.51","0.02","111.76","0.02","513.6","0.3","","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H17 N2 O5 P -","","","2","1","","Srinivasan Natarajan; S. Neeraj; C.N.R. Rao","Three-dimensional open-framework CoII and ZnII phosphates synthesized via the amine phosphate route","Solid State Sciences","1998","2","","87","98","","","x-ray","0.71073","MoKα","","","0.04","","","0.11","","","","","","","1.11","","","","","191028","2020-10-21","18:00:00",""
"1519050","9.552","0.001","9.98","0.001","10.001","0.001","107.68","0.01","97.93","0.01","114.91","0.02","783.9","0.2","","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H17 Co2 N2 O12 P3 -","- Co2 O20 P3 -","- Co4 O40 P6 -","2","1","","Srinivasan Natarajan; S. Neeraj; C.N.R. Rao","Three-dimensional open-framework CoII and ZnII phosphates synthesized via the amine phosphate route","Solid State Sciences","1998","2","","87","98","","","x-ray","0.71073","MoKα","","","0.04","","","0.11","","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519051","5.235","0.002","15.437","0.002","17.975","0.002","90","","91.8","0.1","90","","1451.9","0.6","","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 N2 O13 P3 Zn4 -","- O13 P3 Zn4 -","- O52 P12 Zn16 -","4","1","","Srinivasan Natarajan; S. Neeraj; C.N.R. Rao","Three-dimensional open-framework CoII and ZnII phosphates synthesized via the amine phosphate route","Solid State Sciences","1998","2","","87","98","","","x-ray","0.71073","MoKα","","","0.07","","","0.17","","","","","","","1.17","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519052","6.247","0.001","11.728","0.002","8.491","0.002","90","","90","","90","","622.1","0.2","","","153","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Mn3 O8 V2 -","- Mn3 O8 V2 -","- Mn12 O32 V8 -","4","","","Xiandong Wang; Zhenquan Liu; Andrea Ambrosini; Antoine Maignan; Charlotte L. Stern; Kenneth R. Poeppelmeier; Vinayak P. Dravid","Crystal growth, structure, and properties of manganese orthovanadate Mn3(VO4)2","Solid State Sciences","1998","2","","99","107","","","x-ray","0.71069","MoKα","","","0.025","","","0.035","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519053","7.9498","0.0006","10.953","0.0009","8.1447","0.0006","90","","93.764","0.001","90","","707.66","0.09","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H O5 S Y -","- H O5 S Y -","- H8 O40 S8 Y8 -","8","2","","Xiqu Wang; Lumei Liu; Kent Ross; Allan J. Jacobson","Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F, YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O","Solid State Sciences","1998","2","","109","118","","","x-ray","0.71073","MoKα","","","0.0285","","","0.0663","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519054","8.3128","0.0009","6.9255","0.0007","6.3905","0.0007","90","","90","","90","","367.9","0.07","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F O4 S Y -","- F O4 S Y -","- F4 O16 S4 Y4 -","4","0.5","","Xiqu Wang; Lumei Liu; Kent Ross; Allan J. Jacobson","Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F, YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O","Solid State Sciences","1998","2","","109","118","","","x-ray","0.71073","MoKα","","","0.037","","","0.0894","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519055","6.9695","0.0008","7.2615","0.0008","10.292","0.001","90","","90","","90","","520.87","0.1","","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H3 Ni O7 S Y -","- H3 Ni O7 S Y -","- H12 Ni4 O28 S4 Y4 -","4","0.5","","Xiqu Wang; Lumei Liu; Kent Ross; Allan J. Jacobson","Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F, YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O","Solid State Sciences","1998","2","","109","118","","","x-ray","0.71073","MoKα","","","0.0369","","","0.0736","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519056","11.6889","0.0007","6.866","0.0004","12.528","0.0008","90","","97.092","0.001","90","","997.75","0.1","","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cu F H5 O12 S2 Y2 -","- Cu F H5 O12 S2 Y2 -","- Cu4 F4 H20 O48 S8 Y8 -","4","1","","Xiqu Wang; Lumei Liu; Kent Ross; Allan J. Jacobson","Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F, YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O","Solid State Sciences","1998","2","","109","118","","","x-ray","0.71073","MoKα","","","0.0265","","","0.0686","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519057","4.6935","0.0007","7.2515","0.001","11.1025","0.0015","90","","94.724","0.003","90","","376.59","0.09","","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C H2 O7 P2 Sb2 -","- C O7 P2 Sb2 -","- C2 O14 P4 Sb4 -","2","1","","Brian A. Adair; Graciela Diaz de Delgado; J. Miguel Delgado; Anthony K. Cheetham","On the synthesis and characterization of open-framework antimony(III) diphosphonates","Solid State Sciences","2000","2","","119","126","","","x-ray","0.71073","MoKα","","","0.0397","","","0.1002","","","","","","","1.325","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519058","4.6707","0.0002","16.9992","0.0006","16.7699","0.0006","90","","98","0.01","90","","1318.54","0.09","","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 H5 O6 P2 Sb -","","","2","0.5","","Brian A. Adair; Graciela Diaz de Delgado; J. Miguel Delgado; Anthony K. Cheetham","On the synthesis and characterization of open-framework antimony(III) diphosphonates","Solid State Sciences","2000","2","","119","126","","","x-ray","0.71073","MoKα","","","0.0891","","","","","","","","","","","","","","","191028","2020-10-21","18:00:00",""
"1519059","4.6635","0.0006","19.545","0.002","8.7608","0.0001","90","","103.87","0.04","90","","775.25","0.18","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 O6 P2 Sb -","","","2","0.5","","Brian A. Adair; Graciela Diaz de Delgado; J. Miguel Delgado; Anthony K. Cheetham","On the synthesis and characterization of open-framework antimony(III) diphosphonates","Solid State Sciences","2000","2","","119","126","","","x-ray","0.71073","MoKα","","","0.0352","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1519060","13.7642","0.0002","15.6796","0.0004","4.6902","0.0001","90","","90","","90","","1012.23","0.04","","","293","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C4 H32 K4 O42 P8 V6 -","- C4 H8 O42 P12 V6 -","- C4 H8 O42 P12 V6 -","1","0.125","","D. Riou; P. Baltazar; G. Ferey","Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations","Solid State Sciences","1998","2","","127","134","","","x-ray","0.71073","MoKα","","","0.0565","","","0.1578","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519061","7.3807","0.0002","7.9984","0.0003","10.0641","0.0003","75.695","0.001","69.178","0.001","80.769","0.001","536.37","0.03","","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C2 H6 K O10 P2 V2 -","- C2 H6 K O10 P2 V2 -","- C4 H12 K2 O20 P4 V4 -","2","1","","D. Riou; P. Baltazar; G. Ferey","Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations","Solid State Sciences","1998","2","","127","134","","","x-ray","0.71073","MoKα","","","0.0242","","","0.0667","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519062","14.6228","0.0001","10.2783","0.0002","18.2716","0.0003","90","","100.272","0.001","90","","2702.16","0.07","","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H10 K O11 P2 V2 -","- C3 O11 P2 V3 -","- C24 O88 P16 V24 -","8","1","","D. Riou; P. Baltazar; G. Ferey","Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations","Solid State Sciences","1998","2","","127","134","","","x-ray","0.71073","MoKα","","","0.0387","","","0.2471","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519063","14.4939","0.0001","10.2595","0.0002","18.6782","0.0003","90","","98.99","0.01","90","","2743.33","0.1","","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H13 K O12 P2 V2 -","- C3 K O12 P2 V2 -","- C24 K8 O96 P16 V16 -","8","1","","D. Riou; P. Baltazar; G. Ferey","Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations","Solid State Sciences","1998","2","","127","134","","","x-ray","0.71073","MoKα","","","0.0666","","","0.2016","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519064","5.213","0.0005","5.213","0.0005","12.959","0.001","90","","90","","90","","352.17","0.05","","","293","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Co0.46 H1.26 O5 P V0.94 -","- Co0.464 O5 P V0.944 -","- Co1.856 O20 P4 V3.776 -","4","0.125","","E. Le Fur; A. Riou; O. Pena; J.Y. Pivan","Crystal structure of (V0.94Co0.46)[PO4(OH)0.74(OH2)0.26]: a mixed-valence phosphate related to the mineral caminite and the synthetic lipscombite","Solid State Sciences","2000","2","","135","141","","","x-ray","0.71073","MoKα","","","0.0305","","","0.0726","","","","","","","0.93","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519065","10.356","0.002","10.356","0.002","4.0224","0.0008","90","","90","","120","","373.59","0.13","","","293","","","","","","","","","3","P -6","P -6","174","","","","- Br2 F12 Pb7 -","- Br2 F12 Pb7 -","- Br2 F12 Pb7 -","1","0.166667","","F. Kubel; H. Vollenkle","Hydrothermal synthesis and structure of the ordered modification of Pb7F12Br2","Solid State Sciences","2000","2","","193","196","","","x-ray","0.71073","MoKα","","","0.028","","","0.059","","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519091","8.016","0.001","8.788","0.001","13.186","0.001","71.42","0.01","89.16","0.01","86.49","0.01","878.81","0.17","","","293","","","","","","","","","4","P -1","-P 1","2","","","","- K4 Nb2 S9.5 Se1.5 -","- K4 Nb2 S9.54 Se1.46 -","- K8 Nb4 S19.08 Se2.92 -","2","1","","Oliver Krause; Peter Durichen; Christian Nather; Wolfgang Bensch","Chemical reactivity of the [Nb2S11]4- anion: selective substitution of sulfur by selenium on a molecular level","Solid State Sciences","2000","2","","197","203","","","x-ray","0.71073","MoKα","","","0.0494","","","0.1311","","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519092","7.938","0.001","8.744","0.003","13.098","0.002","71.91","0.02","89.38","0.01","86.85","0.01","862.9","0.4","","","200","","","","","","","","","4","P -1","-P 1","2","","","","- K4 Nb2 S8.9 Se2.1 -","- K4 Nb2 S8.92 Se2.08 -","- K8 Nb4 S17.84 Se4.16 -","2","1","","Oliver Krause; Peter Durichen; Christian Nather; Wolfgang Bensch","Chemical reactivity of the [Nb2S11]4- anion: selective substitution of sulfur by selenium on a molecular level","Solid State Sciences","2000","2","","197","203","","","x-ray","0.71073","MoKα","","","0.0556","","","0.1475","","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519093","10.9317","0.0001","8.05578","0.00009","9.2774","0.0001","90","","90.201","0.001","90","","816.994","0.015","","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H7 Mg2 O10.5 P2 -","- Mg2 O10.5 P2 -","- Mg8 O42 P8 -","4","1","","Kjell Ove Kongshaug; Helmer Fjellvag; Karl Petter Lillerud","Synthesis and crystal structure of the hydrated magnesium diphosphate Mg2P2O7.3.5H2O and its high temperature variant Mg2P2O7.H2O","Solid State Sciences","2000","2","","205","214","","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.094","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519094","18.6596","0.0004","7.9769","0.0001","8.9757","0.0002","90","","107.378","0.001","90","","1275.01","0.04","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Mg2 O8 P2 -","- Mg4 O16 P4 -","- Mg16 O64 P16 -","4","0.5","","Kjell Ove Kongshaug; Helmer Fjellvag; Karl Petter Lillerud","Synthesis and crystal structure of the hydrated magnesium diphosphate Mg2P2O7.3.5H2O and its high temperature variant Mg2P2O7.H2O","Solid State Sciences","2000","2","","205","214","","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0418","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519095","4.179","0.002","4.179","0.002","7.069","0.003","90","","90","","120","","106.91","0.09","","","293","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Ge2 Yb -","- Al2 Ge2 Yb -","- Al2 Ge2 Yb -","1","0.0833333","","Christian Kranenberg; Dirk Johrendt; Albrecht Mewis; Rainer Pottgen; Gunter Kotzyba; Carsten Rosenhahn; Bernd D Mosel","Structure and properties of the compounds LnAl2X2 (Ln=Eu, Yb; X=Si, Ge)","Solid State Sciences","2000","2","","215","222","","","x-ray","0.71073","MoKα","","","0.024","","","0.05","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519096","4.214","0.001","4.214","0.001","7.32","0.001","90","","90","","120","","112.57","0.04","","","293","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Eu Ge2 -","- Al2 Eu Ge2 -","- Al2 Eu Ge2 -","1","0.0833333","","Christian Kranenberg; Dirk Johrendt; Albrecht Mewis; Rainer Pottgen; Gunter Kotzyba; Carsten Rosenhahn; Bernd D Mosel","Structure and properties of the compounds LnAl2X2 (Ln=Eu, Yb; X=Si, Ge)","Solid State Sciences","2000","2","","215","222","","","x-ray","0.71073","MoKα","","","0.014","","","0.022","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519097","4.181","0.001","4.181","0.001","7.259","0.001","90","","90","","120","","109.89","0.04","","","293","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Eu Si2 -","- Al2 Eu Si2 -","- Al2 Eu Si2 -","1","0.0833333","","Christian Kranenberg; Dirk Johrendt; Albrecht Mewis; Rainer Pottgen; Gunter Kotzyba; Carsten Rosenhahn; Bernd D Mosel","Structure and properties of the compounds LnAl2X2 (Ln=Eu, Yb; X=Si, Ge)","Solid State Sciences","2000","2","","215","222","","","x-ray","0.71073","MoKα","","","0.01","","","0.024","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519098","5.6109","0.0007","8.1277","0.0008","31.205","0.003","90","","90","","90","","1423.1","0.3","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Bi Nb O8 Te2 -","- Bi Nb O8 Te2 -","- Bi8 Nb8 O64 Te16 -","8","1","","S. Blanchandin; J.C. Champarnaud-Mesjard; P. Thomas; B. Frit","Crystal structure of BiNbTe2O8","Solid State Sciences","2000","2","","223","228","","","x-ray","0.71073","MoKα","","","0.0512","","","0.0948","","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519099","10.097","0.004","10.097","0.004","10.097","0.004","90","","90","","90","","1029.4","0.7","","","295","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Bi5 Na3 O24 P6 -","- Bi5 Na3 O24 P6 -","- Bi10 Na6 O48 P12 -","2","0.0416667","","El Hassan Arbib; Jean-Pierre Chaminade; Jacques Darriet; Brahim Elouadi","The crystal structure of eulytite Na3Bi5(PO4)6","Solid State Sciences","2000","2","","243","247","","","x-ray","0.71069","MoKα","","","0.0257","","","0.0533","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519100","6.958","0.0008","17.302","0.003","7.003","0.002","90","","105.47","0.02","90","","812.5","0.3","","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 La2 O16 -","- C10 H12 La2 O16 -","- C20 H24 La4 O32 -","2","0.5","","J.C. Trombe; S. Romero","Crystal structure and characterization of [La(H2O)]2(C2O4)(C4H4O5)2","Solid State Sciences","2000","2","","279","283","","","x-ray","0.71073","MoKα","","","0.0245","","","0.0277","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519101","5.3086","0.0008","7.1465","0.0009","7.6871","0.0009","90","","115.48","0.02","90","","263.27","0.07","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cd H2 O7 P V -","- Cd O7 P V -","- Cd2 O14 P2 V2 -","2","1","","Andre Leclaire; Marie-Madeleine Borel; Josiane Chardon; Bernard Raveau","A cadmium vanadophosphate built up from rutile and HTB-TYPE ribbons: CdVO2(H2O)PO4","Solid State Sciences","2000","2","","293","297","","","x-ray","0.71073","MoKα","","","0.048","","","0.05","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519102","7.309","0.003","7.115","0.006","20.45","0.01","90","","91.56","0.02","90","","1063.1","1.1","","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Al2 F10 H O4 P Sr3 -","- Al2 F10 O4 P Sr3 -","- Al8 F40 O16 P4 Sr12 -","4","1","","J.-M. Le Meins","Hydrothermal synthesis and structure determination of a new aluminium phosphate fluoride: Sr3Al2(HPO4)F10","Solid State Sciences","2000","2","","299","306","","","x-ray","0.71073","MoKα","","","0.042","","","0.108","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519103","7.7033","0.0002","10.0798","0.0002","8.6667","0.0002","90","","100.284","0.001","90","","662.14","0.03","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cr H Na2 O7.5 P2 -","- Cr Na2 O7.5 P2 -","- Cr4 Na8 O30 P8 -","4","1","","N. Stock; G. Ferey; A.K. Cheetham","Hydrothermal synthesis and characterization of a chromium(II) pyrophosphate, Na2CrP2O7.0.5H2O","Solid State Sciences","2000","2","","307","312","","","x-ray","0.71073","MoKα","","","0.0327","","","0.0785","","","","","","","1.078","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519104","6.1672","0.0012","8.3595","0.0017","14.223","0.003","77.35","0.03","86.8","0.03","87.7","0.03","714.1","0.3","","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Ag Cu N5 O8 -","- C10 H8 Ag Cu N5 O8 -","- C20 H16 Ag2 Cu2 N10 O16 -","2","1","","Yu-Bin Dong; Mark D Smith; Hans-Conrad zur Loye","Synthesis and characterization of a novel copper(II) silver(I) mixed-metal coordination polymer: Ag[Cu(2-pyrazinecarboxylate)2](H2O)(NO3)","Solid State Sciences","2000","2","","335","341","","","x-ray","0.71073","MoKα","","","0.048","","","0.121","","","","","","","1.078","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519105","13.8684","0.0008","17.492","0.001","22.5","0.001","90","","102.147","0.001","90","","5336","0.5","","","293","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C24 H134 B6 N26 O87 P12 V12 -","- C24 B6 N16 O89 P12 V12 -","- C48 B12 N32 O178 P24 V24 -","2","1","","Junghwan Do; Li-Min Zheng; Ranko P. Bontchev; Allan J. Jacobson","Synthesis, structure and magnetic properties of (NH4)2(C3H12N3)8[V2P2BO12]6.15H2O","Solid State Sciences","2000","2","","343","351","","","x-ray","0.71073","MoKα","","","0.0468","","","0.132","","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519106","8.1527","","14.1209","","5.3243","","90","","90","","90","","612.952","","","","293","","","","","","","","","2","P m c m","-P 2c 2","51","","","","- Bi Ni0.92 -","- Bi0.75 Ni1.75 -","- Bi6 Ni14 -","8","1","","Sven Lidin; Vaclav Petricek; Lars Stenberg; Sigrid Furuseth; Helmer Fjellvag; Ann-Kristin Larsson","The incommensurately modulated structure of NiBi","Solid State Sciences","2000","2","","353","363","","","x-ray","0.71073","MoKα","","","0.077","","","0.078","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519108","7.494","0.001","7.726","0.001","17.852","0.003","90","","97.7","0.1","90","","1024.3","0.4","","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Co2 N O10 P -","- C5 Co2 N O10 P -","- C20 Co8 N4 O40 P4 -","4","1","","Amitava Choudhury; Srinivasan Natarajan","Inorganic hybrid open-framework structures: synthesis and structure of a cobalt phosphate-oxalate, [C4N2H12]0.5[Co2(HPO4)(C2O4)1.5]","Solid State Sciences","2000","2","","365","372","","","x-ray","0.71073","MoKα","","","0.04","","","0.1","","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520483","5.636","0.001","6.151","0.001","6.498","0.001","90.52","0.01","90.62","0.01","107.43","0.01","214.89","0.06","","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H13 F6 Mn N2 -","- C4 H13 F6 Mn N2 -","- C4 H13 F6 Mn N2 -","1","0.5","","U. Bentrup; K. Harms; W. Massa; J. Pebler","Magnetic exchange interaction via HF2‒bridges? Structure and magnetism of pipzH2[MnF4(HF2)]","Solid State Sciences","2000","2","","373","377","10.1016/S1293-2558(00)00138-2","","x-ray","0.71073","MoKα","","","0.0233","","","0.0568","","","","","","","1.237","","","","has coordinates","183819","2020-10-21","18:00:00",""
"1520500","11.89","0.003","6.929","0.003","12.095","0.004","90","","90","","90","","996.5","0.6","","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- As Ba H8 N O2 S4 -","- As Ba H8 N O2 S4 -","- As4 Ba4 H32 N4 O8 S16 -","4","0.5","","Michael B. Korzenski; George L. Schimek; Joseph W. Kolis","Hydrothermal synthesis and characterization of a new hydrated ammonium barium thioarsenate: (NH4)BaAsS4.2H2O","Solid State Sciences","2000","2","","379","383","","","x-ray","0.71073","MoKα","","","0.023","","","0.0307","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520501","19.1418","0.0005","8.5274","0.0002","14.545","0.0001","90","","104.543","0.002","90","","2298.11","0.08","","","296","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C6 H23 Al3 N4 O17 P4 -","- C6 H16 Al3 N4 O17 P4 -","- C24 H64 Al12 N16 O68 P16 -","4","1","","N. Simon; T. Loiseau; G. Ferey","Synthesis and crystal structure of MIL-32: a new chiral layered aluminophosphate templated with non chiral tris(2-aminoethyl)amine: Al3(PO4)4, N4C6H21, H2O","Solid State Sciences","2000","2","","391","397","","","x-ray","0.71073","MoKα","","","0.0712","","","0.1703","","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520503","15.258","0.003","19.696","0.004","11.578","0.005","90","","89.93","0.02","90","","3479.4","1.8","","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N2 O7 P2 -","- C14 N2 O7 P2 -","- C112 N16 O56 P16 -","8","2","","S Akriche; M Rzaigui","Synthesis and crystal structure of (o-CH3C6H4NH3)2H2P2O7","Solid State Sciences","2000","2","","399","405","","","x-ray","0.71073","MoKα","","","0.049","","","0.052","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520508","4.10811","0.00008","4.10811","0.00008","27.988","0.001","90","","90","","90","","472.34","0.02","","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Bi I O3 Te -","- Bi0.5 I0.5 O1.5 Te0.5 -","- Bi4 I4 O12 Te4 -","8","0.5","","Peter S. Berdonosov; Dmitry O. Charkin; Ardak M. Kusainova; Charles H. Hervoches; Valeriy A. Dolgikh; Philip Lightfoot","The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2: some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides","Solid State Sciences","2000","2","","553","562","","powder diffraction","x-ray","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520509","4.06603","0.00007","4.06603","0.00007","26.922","0.001","90","","90","","90","","445.09","0.02","","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Br Nd O3 Te -","- Br0.5 Nd0.5 O1.5 Te0.5 -","- Br4 Nd4 O12 Te4 -","8","0.5","","Peter S. Berdonosov; Dmitry O. Charkin; Ardak M. Kusainova; Charles H. Hervoches; Valeriy A. Dolgikh; Philip Lightfoot","The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2: some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides","Solid State Sciences","2000","2","","553","562","","powder diffraction","neutron","","white","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520510","4.08096","0.00008","4.03441","0.00008","25.7582","0.0007","90","","90","","90","","424.09","0.017","","","293","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- Cl Nd O3 Te -","","","8","1","","Peter S. Berdonosov; Dmitry O. Charkin; Ardak M. Kusainova; Charles H. Hervoches; Valeriy A. Dolgikh; Philip Lightfoot","The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2: some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides","Solid State Sciences","2000","2","","553","562","","powder diffraction","neutron","","white","","","","","","","","","","","","","","","","","","191028","2020-10-21","18:00:00",""
"1520511","5.6878","0.0003","5.723","0.0003","9.726","0.0006","90","","90","","90","","316.59","0.03","","","293","","","","","","","","","4","C m m 2","C 2 -2","35","","","","- Bi5 I2 O8.5 Te -","- Bi5 I2 O8.5 Te -","- Bi5 I2 O8.5 Te -","1","0.125","","Peter S. Berdonosov; Dmitry O. Charkin; Ardak M. Kusainova; Charles H. Hervoches; Valeriy A. Dolgikh; Philip Lightfoot","The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2: some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides","Solid State Sciences","2000","2","","553","562","","powder diffraction","neutron","","white","","","","","","","","","","","","","","","","","has coordinates","139077","2020-10-21","18:00:00",""
"1520512","36.943","0.002","8.1028","0.0003","12.6415","0.0008","90","","98.858","0.007","90","","3739","0.3","","","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Rb6 S25 Ta4 -","- Rb6 S25 Ta4 -","- Rb24 S100 Ta16 -","4","0.5","","Petra Stoll; Christian Nather; Inke Jeb; Wolfgang Bensch","Synthesis, crystal structure and optical properties of the new tantalum polysulfide Rb6Ta4S25 and its thermal degradation to Rb6Ta4S22","Solid State Sciences","2000","2","","563","568","","","x-ray","0.71073","MoKα","","","0.0276","","","0.0714","","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520541","20.171","0.002","10.558","0.001","9.676","0.001","90","","90","","90","","2060.7","0.4","","","293","","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- Cu4 O21 P6 Tl4 -","- Cu4 O21 P6 Tl4 -","- Cu16 O84 P24 Tl16 -","4","0.5","","M Fakhfakh; S Ammar-Merah; N Jouini","The compound Tl4Cu4(P2O7)3, a new three-dimensional structure with interconnected tunnels","Solid State Sciences","2000","2","","587","594","10.1016/S1293-2558(00)01060-8","","x-ray","0.71073","MoKα","","","0.04","","","0.093","","","","","","","1.103","","","","has coordinates","139214","2020-10-21","18:00:00",""
"1520800","9.6975","","9.6975","","8.0938","","90","","90","","120","","659.178","","","","","","","","","","","","","5","P 63","P 6c","173","","(N H4) (Sn4 P3 O12)","","- H4 N O12 P3 Sn4 -","- N O12 P3 Sn4 -","- N2 O24 P6 Sn8 -","2","0.333333","","Ayyappan, S.; Stock, N.; Chang, J.-S.; Hatfield, R.; Cheetham, A.K.; Rao, C.N.R.","Synthesis, characterization and acid-base catalytic properties of ammonium-containing tin(II) phopshates: (N H4) (Sn4 P3 O12) and (N H4) (Sn P O4)","International Journal of Inorganic Materials","2000","2","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520801","6.52","","9.4794","","8.0719","","90","","90.95","","90","","498.821","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N H4) (Sn P O4)","","- H4 N O4 P Sn -","- N O4 P Sn -","- N4 O16 P4 Sn4 -","4","1","","Ayyappan, S.; Chang, J.-S.; Stock, N.; Hatfield, R.; Rao, C.N.R.; Cheetham, A.K.","Synthesis, characterization and acid-base catalytic properties of ammonium-containing tin(II) phopshates: (N H4) (Sn4 P3 O12) and (N H4) (Sn P O4)","International Journal of Inorganic Materials","2000","2","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520862","20.203","","6.37","","14.379","","90","","99.827","","90","","1823.33","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cs3 (Mo8 P8 O43)","","- Cs3 Mo8 O43 P8 -","- Cs3 Mo8 O43 P8 -","- Cs6 Mo16 O86 P16 -","2","0.25","","Borel, M.M.; Leclaire, A.; Chardon, J.; Raveau, B.","A new mixed valent molybdenum monophosphate with a tunnel structure : Cs3 Mo8 O11 (P O4)8","International Journal of Inorganic Materials","2000","2","","11","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","140422","2020-10-21","18:00:00",""
"1521093","5.69857","","5.69744","","8.05187","","90","","90","","90","","261.422","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Sr Sn O3","","- O3 Sn Sr -","- O3 Sn Sr -","- O12 Sn4 Sr4 -","4","0.5","","Green, M.A.; Prassides, K.; Day, P.; Neumann, D.A.","Structure of the n=2 and n=infinity member of the Ruddlesden-Popper series, Srn+1 Snn O3n+1","International Journal of Inorganic Materials","2000","2","","35","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521094","20.688","","5.736","","5.71","","90","","90","","90","","677.585","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sr3 Sn2 O7","","- O7 Sn2 Sr3 -","- O7 Sn2 Sr3 -","- O28 Sn8 Sr12 -","4","0.25","","Green, M.A.; Day, P.; Prassides, K.; Neumann, D.A.","Structure of the n=2 and n=infinity member of the Ruddlesden-Popper series, Srn+1 Snn O3n+1","International Journal of Inorganic Materials","2000","2","","35","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","140735","2020-10-21","18:00:00",""
"1521101","9.0374","","9.0374","","9.0374","","90","","90","","90","","738.126","","","","","","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","Mg2 ((C H3)4 N)2 (Al4 P6 O24)","","- Al4.002 Mg1.998 O24 P6 -","- Al4.002 Mg1.998 O24 P6 -","- Al4.002 Mg1.998 O24 P6 -","1","0.0416667","","Han, S.-X.; Smith, J.V.; Pluth, J.J.; Richardson, J.W.jr.","Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit","European Journal of Mineralogy (1,1989-)","1990","2","","787","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","140744","2020-10-21","18:00:00",""
"1521111","9.0437","","9.0437","","9.0437","","90","","90","","90","","739.671","","","","","","","","","","","","","7","P m -3 n","-P 4n 2 3","223","","Mg2 ((C H3)4 N)2 (Al4 P6 O24)","","- C8 H24 Al4 Mg2 N2 O24 P6 -","- C8.0016 H23.9904 Al4.002 Mg1.998 N2 O24 P6 -","- C8.0016 H23.9904 Al4.002 Mg1.998 N2 O24 P6 -","1","0.0208333","","Han, S.-X.; Smith, J.V.; Pluth, J.J.; Richardson, J.W.jr.","Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit","European Journal of Mineralogy (1,1989-)","1990","2","","787","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","140755","2020-10-21","18:00:00",""
"1521112","9.0437","","9.0437","","9.0437","","90","","90","","90","","739.671","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Mg2 ((C H3)4 N)2 (Al4 P6 O24)","","- Al4.002 Mg1.998 N2 O24 P6 -","- Al4.002 Mg1.998 N2 O24 P6 -","- Al4.002 Mg1.998 N2 O24 P6 -","1","0.0416667","","Han, S.-X.; Richardson, J.W.jr.; Smith, J.V.; Pluth, J.J.","Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit","European Journal of Mineralogy (1,1989-)","1990","2","","787","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","140756","2020-10-21","18:00:00",""
"1521311","3.83205","","3.83205","","11.554","","90","","90","","90","","169.666","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ru Sr2 Gd Cu2 O8","","- Cu2 Gd O8 Ru Sr2 -","- Cu2 Gd O8 Ru Sr2 -","- Cu2 Gd O8 Ru Sr2 -","1","0.0625","","McLaughlin, A.C.; Attfield, J.P.; Tallon, J.L.","A variable temperature structural study of the ferromagnetic superconductor Ru Sr2 Gd Cu2 O8","International Journal of Inorganic Materials","2000","2","","95","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521721","8.4836","","8.4836","","8.4836","","90","","90","","90","","610.577","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Bi0.667 Te O6","","- Ba2 Bi0.667 O6 Te -","- Ba2 Bi0.667 O6 Te -","- Ba8 Bi2.668 O24 Te4 -","4","0.0208333","","Park, J.-H.; Woodward, P.M.","Synthesis, structure and optical properties of two new perovskites: Ba2 Bi2/3 Te O6 and Ba3 Bi2 Te O9","International Journal of Inorganic Materials","2000","2","","153","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521722","6.18313","","6.18313","","14.8645","","90","","90","","120","","492.15","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Ba3 (Bi2 Te O9)","","- Ba3 Bi2 O9 Te -","- Ba3 Bi2 O9 Te -","- Ba6 Bi4 O18 Te2 -","2","0.166667","","Park, J.-H.; Woodward, P.M.","Synthesis, structure and optical properties of two new perovskites:Ba2 Bi2/3 Te O6 and Ba3 Bi2 Te O9","International Journal of Inorganic Materials","2000","2","","153","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521758","3.5007","","3.5007","","3.5007","","90","","90","","90","","42.901","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Li0.9 Mg0.1)","","- Li0.9 Mg0.1 -","- Li0.9 Mg0.1 -","- Li1.8 Mg0.2 -","2","0.0208333","","Kellington, S.; Loveridge, D.; Titman, J.M.","The lattice parameters of some alloys of lithium","Journal of Physics D, Applied Physics","1969","2","","1162","1163","","","","","","","","","","","","","","","","","","","","","","has coordinates","141972","2020-10-21","18:00:00",""
"1522185","10.974","","7.3908","","7.5239","","90","","90","","90","","610.238","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr3 (Ru O7)","","- O7 Pr3 Ru -","- O7 Pr3 Ru -","- O28 Pr12 Ru4 -","4","0.25","","Wiss, F.; Raju, N.P.; Wills, A.S.; Greedan, J.E.","Structure and magnetism in Pr3 Ru O7","International Journal of Inorganic Materials","2000","2","","53","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522339","12.14","","12.14","","12.14","","90","","90","","90","","1789.19","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Fe Zr2 -","- Fe Zr2 -","- Fe32 Zr64 -","32","0.166667","","Kuz'ma, Yu.B.; Voroshilov, Yu.V.; Markiv, V.Ya.; Slolozdra, R.V.","X-ray structural investigation of some alloys of the Zr-Fe and Zr-Co systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1966","2","","222","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522351","5.174","","5.174","","4.145","","90","","90","","120","","96.097","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","La (Mn0.4 Ni0.6)5","","- La Mn2 Ni3 -","- La Mn2 Ni3 -","- La Mn2 Ni3 -","1","0.0416667","","Lartigue, C.; Tasset, F.; Percheron-Guegan, A.; Achard, J.C.","Thermodynamic and structural properties of La Ni5-x Mnx compounds and their related hydrides","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1980","2","","585","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522374","6.1041","","6.1041","","7.7052","","90","","90","","90","","287.096","","","","","","","","","","","","","2","P 4/n b m :1","P 4 2 -1ab","125","","","","- Ga6 La -","- Ga6 La -","- Ga12 La2 -","2","0.125","","Liang Jingkui; Xie Sishen","Determination of the La Ga6 crystal structure","Xiyou Jinshu","1983","2","","183","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522474","4.58","","4.58","","4.58","","90","","90","","90","","96.072","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pu Zr)","","- Pu Zr -","- Pu Zr -","- Pu2 Zr2 -","2","0.0104167","","Marples, J.A.C.","The plutonium-zirconium phase diagram","Journal of the Less-Common Metals","1960","2","","331","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522475","5.055","","5.055","","3.123","","90","","90","","120","","69.111","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Pu0.75 Zr2.25 -","- Pu0.75 Zr2.25 -","- Pu0.75 Zr2.25 -","1","0.0416667","","Marples, J.A.C.","The plutonium-zirconium phase diagram","Journal of the Less-Common Metals","1960","2","","331","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522476","3.234","","3.234","","5.186","","90","","90","","120","","46.972","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Pu0.1 Zr0.9)","","- Pu0.1 Zr0.9 -","- Pu0.1 Zr0.9 -","- Pu0.2 Zr1.8 -","2","0.0833333","","Marples, J.A.C.","The plutonium-zirconium phase diagram","Journal of the Less-Common Metals","1960","2","","331","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","142701","2020-10-21","18:00:00",""
"1522557","8.64","","8.64","","5.03","","90","","90","","90","","375.487","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Al7.02 Fe4.98 Y -","- Al7.016 Fe4.984 Y -","- Al14.032 Fe9.968 Y2 -","2","0.0625","","Moze, O.; Ibberson, R.M.; Buschow, K.H.J.","On the preferential site occupation of Fe in R Fe4 Al8 and related compounds","Journal of Physics: Condensed Matter","1990","2","","1677","1681","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522827","4.765","","4.765","","4.765","","90","","90","","90","","108.19","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","(Ga Si) V6","","- Ga Si V6 -","- Ga Si V6 -","- Ga Si V6 -","1","0.0208333","","Savitskii, E.M.; Baron, V.V.; Efimov, Yu.V.","The V3 Si - V3 Ga system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1966","2","","1444","1447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523013","2.766","","2.766","","4.425","","90","","90","","120","","29.319","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Pt0.4 Re0.6)","","- Pt0.4 Re0.6 -","- Pt0.4 Re0.6 -","- Pt0.8 Re1.2 -","2","0.0833333","","Trzebiatowski, W.; Berak, J.","The platinum-rhenium system","Bulletin International de l'Academie Polonaise des Sciences et des Lettres, Classe des Sciences Mathematiques et Naturelles, Serie A: Sciences Mathematiques","1954","2","","37","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","143324","2020-10-21","18:00:00",""
"1523014","3.898","","3.898","","3.898","","90","","90","","90","","59.228","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pt0.6 Re0.4)","","- Pt0.6 Re0.4 -","- Pt0.6 Re0.4 -","- Pt2.4 Re1.6 -","4","0.0208333","","Trzebiatowski, W.; Berak, J.","The platinum-rhenium system","Bulletin International de l'Academie Polonaise des Sciences et des Lettres, Classe des Sciences Mathematiques et Naturelles, Serie A: Sciences Mathematiques","1954","2","","37","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","143326","2020-10-21","18:00:00",""
"1523190","3.125","","3.125","","3.125","","90","","90","","90","","30.518","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Mo0.81 Ru0.19)","","- Mo0.81 Ru0.19 -","- Mo0.81 Ru0.19 -","- Mo1.62 Ru0.38 -","2","0.0208333","","Anderson, E.; Hume-Rothery, W.","The equilibrium diagram of the system Mo-Ru","Journal of the Less-Common Metals","1960","2","","443","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","143803","2020-10-21","18:00:00",""
"1523207","3.352","","3.352","","3.352","","90","","90","","90","","37.663","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","(Mo0.1 Nb0.45 U0.45)","","- Mo0.1 Nb0.45 U0.45 -","- Mo0.1 Nb0.45 U0.45 -","- Mo0.2 Nb0.9 U0.9 -","2","0.0208333","","Bannister, G.H.; Murray, J.R.","Some observations on uranium-molybdenum-niobium alloys","Journal of the Less-Common Metals","1960","2","","372","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","143821","2020-10-21","18:00:00",""
"1523208","3.27","","3.27","","3.27","","90","","90","","90","","34.966","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","(Mo0.4 Nb0.4 Zr0.2)","","- Mo0.4 Nb0.4 Zr0.2 -","- Mo0.4 Nb0.4 Zr0.2 -","- Mo0.8 Nb0.8 Zr0.4 -","2","0.0208333","","Bannister, G.H.; Murray, J.R.","Some observations on uranium-molybdenum-niobium alloys","Journal of the Less-Common Metals","1960","2","","372","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","143822","2020-10-21","18:00:00",""
"1523380","4.056","","4.056","","4.056","","90","","90","","90","","66.726","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd0.8 U0.2)","","- Pd0.8 U0.2 -","- Pd0.8 U0.2 -","- Pd3.2 U0.8 -","4","0.0208333","","Catterall, J.A.","The electronic structure of palladium-uranium alloys","Philosophical Magazine, Serie 8(1956-)","1957","2","","491","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","143995","2020-10-21","18:00:00",""
"1523479","6.312","","6.312","","6.312","","90","","90","","90","","251.479","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ni Sb Y -","- Ni Sb Y -","- Ni4 Sb4 Y4 -","4","0.0416667","","Dwight, A.E.","The crystal structure of Dy Ni Sb, Dy Pt Sb and related compounds","Proc. Rare Earth Res. Conf., 11th","1974","2","","642","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523480","6.238","","6.238","","6.238","","90","","90","","90","","242.737","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ni Sb Yb -","- Ni Sb Yb -","- Ni4 Sb4 Yb4 -","4","0.0416667","","Dwight, A.E.","The crystal structure of Dy Ni Sb, Dy Pt Sb and related compounds","Proc. Rare Earth Res. Conf., 11th","1974","2","","642","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523481","6.241","","6.241","","6.241","","90","","90","","90","","243.087","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ni Tm Sb","","- Ni Sb Tm -","- Ni Sb Tm -","- Ni4 Sb4 Tm4 -","4","0.0416667","","Dwight, A.E.","Crystal structure of Dy Ni Sb, Dy Pt Sb and related compounds","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1974","2","","642","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523605","4.577","","4.577","","8.322","","90","","90","","120","","150.98","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mg3 Pt -","- Mg3 Pt -","- Mg6 Pt2 -","2","0.0833333","","Ferro, R.; Rambaldi, G.","Research on the alloys of noble metals with the more electro- positive elements. III. Micrographic and X-ray examination of Mg-Pt alloys","Journal of the Less-Common Metals","1960","2","","383","391","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523654","4.1383","","4.1383","","4.1383","","90","","90","","90","","70.871","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Pr -","- Pd3 Pr -","- Pd3 Pr -","1","0.0208333","","Gardner, W.E.; Penfold, J.; Smith, T.F.; Harris, I.R.","The magnetic properties of rare-earth-Pd3 phases","Journal of Physics F","1972","2","","133","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523655","4.0473","","4.0473","","4.0473","","90","","90","","90","","66.297","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Tm -","- Pd3 Tm -","- Pd3 Tm -","1","0.0208333","","Gardner, W.E.; Penfold, J.; Smith, T.F.; Harris, I.R.","The magnetic properties of rare earth-Pd3 phases","Journal of Physics F","1972","2","","133","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523656","4.0364","","4.0364","","4.0364","","90","","90","","90","","65.763","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Yb -","- Pd3 Yb -","- Pd3 Yb -","1","0.0208333","","Gardner, W.E.; Smith, T.F.; Penfold, J.; Harris, I.R.","The magnetic properties of rare earth-Pd3 phases","Journal of Physics F","1972","2","","133","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523698","7.11","","4.15","","5.49","","90","","90","","90","","161.991","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ni2 (Tb Y)","","- Ni2 Tb Y -","- Ni2 Tb Y -","- Ni4 Tb2 Y2 -","2","0.25","","Gignoux, D.; Paccard, D.; Rossat-Mignod, J.; Tcheou, F.","Importance of the crystal field on the magnetic moment orientation in the equiatomic R Ni compounds (R= Tb to Tm)","Proc. Rare Earth Res. Conf.","1973","2","","596","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523914","7.898","","7.898","","7.898","","90","","90","","90","","492.665","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Al0.2 Bi0.8)2 Gd","","- Al0.4 Bi1.6 Gd -","- Al0.4 Bi1.6 Gd -","- Al3.2 Bi12.8 Gd8 -","8","0.0416667","","Jarosz, J.; Chelkowski, A.; Slebarski, A.","Paramagnetic and electron spin resonance investigation of the Gd (Al1-x Bix)2 Laves phase compounds","Journal of Physics: Condensed Matter","1990","2","","7181","7186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524196","3.616","","3.616","","11.652","","90","","90","","120","","131.943","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Dy0.3 Nd0.7)","","- Dy0.3 Nd0.7 -","- Dy0.3 Nd0.7 -","- Dy1.2 Nd2.8 -","4","0.166667","","Chatterjee, D.; Taylor, K.N.R.","Magnetic and structural properties of the neodymium- dysprosium alloy system","Journal of Physics F","1972","2","","151","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","144882","2020-10-21","18:00:00",""
"1524197","3.598","","3.598","","5.744","","90","","90","","120","","64.397","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Dy0.7 Nd0.3)","","- Dy0.7 Nd0.3 -","- Dy0.7 Nd0.3 -","- Dy1.4 Nd0.6 -","2","0.0833333","","Chatterjee, D.; Taylor, K.N.R.","Magnetic and structural properties of the neodymium- dysprosium alloy system","Journal of Physics F","1972","2","","151","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","144883","2020-10-21","18:00:00",""
"1524278","6.271","","6.271","","6.271","","90","","90","","90","","246.61","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Er Ni Sb -","- Er Ni Sb -","- Er4 Ni4 Sb4 -","4","0.0416667","","Dwight, A.E.","The crystal structure of Dy Ni Sb, Dy Pt Sb and related compounds","Proc. Rare Earth Res. Conf., 11th","1974","2","","642","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524279","6.308","","6.308","","6.308","","90","","90","","90","","251.001","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Dy Ni Sb -","- Dy Ni Sb -","- Dy4 Ni4 Sb4 -","4","0.0416667","","Dwight, A.E.","The crystal structure of Dy Ni Sb, Dy Pt Sb and related compounds","Proc. Rare Earth Res. Conf., 11th","1974","2","","642","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524390","11.78","","3.691","","8.876","","90","","111.8","","90","","358.329","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Cu0.85 V2 O5","","- Cu0.85 O5 V2 -","- Cu0.855 O5 V2 -","- Cu3.42 O20 V8 -","4","1","","Galy, J.; Lavaud, D.; Casalot, A.; Hagenmuller, P.","Bronzes oxygenes de vanadium de formule Cux V2 O5: Structure cristalline des phases Cux V2 O5 -beta et Cux V2 O5 - epsilon","Journal of Solid State Chemistry","1970","2","","531","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","145144","2020-10-21","18:00:00",""
"1524409","6.99","","4.12","","5.41","","90","","90","","90","","155.802","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Er Ni -","- Er Ni -","- Er4 Ni4 -","4","0.5","","Gignoux, D.; Paccard, D.; Rossat-Mignod, J.; Tscheou, F.","Importance of the crystgal field on the magnetic moment orientation in the equiatomic rare earth-nickel R Ni compounds (R=Tb to Tm)","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1973","2","","596","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524606","8.521","","8.521","","12.441","","90","","90","","120","","782.289","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Co8.5 Fe8.1) Th2.22","","- Co8.5 Fe8.1 Th2.22 -","- Co8.51 Fe8.11 Th2.22 -","- Co25.53 Fe24.33 Th6.66 -","3","0.0833333","","James, W.J.; Johnson, P.E.","Neutron diffraction study of Th2 (Co, Fe)17","Rare Earths in Modern Science and Technology","1980","2","","333","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","145399","2020-10-21","18:00:00",""
"1524666","3.4921","","3.4921","","3.4921","","90","","90","","90","","42.585","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Cd0.025 Li0.975 -","- Cd0.025 Li0.975 -","- Cd0.05 Li1.95 -","2","0.0208333","","Kellington, S.H.; Loveridge, D.; Titman, J.M.","The lattice parameters of some alloys of lithium","Journal of Physics D, Applied Physics","1969","2","","1162","1163","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524742","2.902","","2.902","","2.902","","90","","90","","90","","24.439","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","(Cr0.25 Fe0.5 V0.25)","","- Cr0.25 Fe0.5 V0.25 -","- Cr0.25 Fe0.5 V0.25 -","- Cr0.5 Fe V0.5 -","2","0.0208333","","Kornilov, I.I.","Phase transformations in the Fe-Cr-V system","Zhurnal Neorganicheskoi Khimii","1957","2","","355","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","145569","2020-10-21","18:00:00",""
"1524777","11.516","","11.516","","11.516","","90","","90","","90","","1527.23","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Co23 Zr6 -","- Co23 Zr6 -","- Co92 Zr24 -","4","0.0208333","","Kuz'ma, Yu.B.; Markiv, V.Ya.; Voroshilov, Yu.V.; Skolozdra, R.V.","X-ray structural investigation of some alloys of the Zr - Fe and Zr - Co systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1966","2","","259","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524778","12.21","","12.21","","12.21","","90","","90","","90","","1820.32","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Eu Zn13 -","- Eu Zn13 -","- Eu8 Zn104 -","8","0.0416667","","Kuz'ma, Yu.B.; Kripyakevich, P.I.; Ugrin, N.S.","New compounds of the rare earth metals with zinc and their crystal structures","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1966","2","","630","635","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525226","2.84","","2.84","","2.79","","90","","90","","120","","19.488","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","(Co0.2 Mo0.8) N","","- Co0.2 Mo0.8 N -","- Co0.2 Mo0.8 N -","- Co0.2 Mo0.8 N -","1","0.0833333","","Schoenberg, N.","The tungsten carbide and nickel arsenide structures","Acta Metallurgica","1954","2","","427","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525468","2.6975","","2.6975","","3.6507","","90","","90","","90","","26.564","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","(Co0.5 Ni0.5) Pt","","- Co0.5 Ni0.5 Pt -","- Co0.5 Ni0.5 Pt -","- Co0.5 Ni0.5 Pt -","1","0.0625","","Woolley, J.C.; Bates, B.","Ordering in Co Pt - Ni Pt alloys","Journal of the Less-Common Metals","1960","2","","11","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525469","3.763","","3.763","","3.763","","90","","90","","90","","53.285","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Co0.5 Ni0.5 Pt)","","- Co0.5 Ni0.5 Pt -","- Co0.5 Ni0.5 Pt -","- Co Ni Pt2 -","2","0.0104167","","Woolley, J.C.; Bates, B.","Ordering in Co Pt - Ni Pt alloys","Journal of the Less-Common Metals","1960","2","","11","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525625","17.24399","","22.42899","","5.586","","90","","90.486","","90","","2160.39","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bi2 (Mo O6)","","- Bi2 Mo O6 -","- Bi2 Mo O6 -","- Bi32 Mo16 O96 -","16","4","","Begue, P.; Enjalbert, R.; Galy, J.; Castro, A.","Single-crystal X-ray investigations of the structures of gamma(H)Bi2 Mo O6 and its partially substituted As(3+) and Sb(3+) homologues","Solid State Sciences","2000","2","","637","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525626","17.226","","22.42799","","5.581","","90","","90.683","","90","","2156.04","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bi1.55 Sb0.45 (Mo O6)","","- Bi1.55 Mo O6 Sb0.45 -","- Bi1.55 Mo O6 Sb0.45 -","- Bi24.8 Mo16 O96 Sb7.2 -","16","4","","Begue, P.; Enjalbert, R.; Galy, J.; Castro, A.","Single-crystal X-ray investigations of the structures of gamma(H)Bi2 Mo O6 and its partially substituted As(3+) and Sb(3+)homologues","Solid State Sciences","2000","2","","637","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525627","17.19099","","22.428","","5.537","","90","","90.257","","90","","2134.82","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bi1.65 As0.35 (Mo O6)","","- As0.35 Bi1.65 Mo O6 -","- As0.35 Bi1.65 Mo O6 -","- As5.6 Bi26.4 Mo16 O96 -","16","4","","Begue, P.; Castro, A.; Enjalbert, R.; Galy, J.","Single-crystal X-ray investigations of the structures of gamma(H)Bi2 Mo O6 and its partially substituted As(3+) and Sb(3+)homologues","Solid State Sciences","2000","2","","637","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525630","9.126","","8.157","","15.256","","90","","90","","90","","1135.67","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Sr (N H4) (P3 O9) (H2 O)3","","- H10 N O12 P3 Sr -","- H10 N O12 P3 Sr -","- H40 N4 O48 P12 Sr4 -","4","0.5","","Belaaouad, S.; Sbai, K.; Jouini, A.","Chemical preparation, thermal behavior and crystal structure of a new cyclotriphosphate: Sr N H4 P3 O9 * 3(H2 O)","Solid State Sciences","2000","2","","655","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525712","13.7","","10.79","","11.91","","90","","110.8","","90","","1645.83","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","U O2 (S O4) (H2 O)3.5","","- H7 O9.5 S U -","- O9.5 S U -","- O76 S8 U8 -","8","1","","Brandenburg, N.P.; Loopstra, B.O.","Uranyl sulphate hydrate, U O2 S O4 (H2 O)3.5","Crystal Structure Communications","1973","2","","243","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525827","14.298","","9.908","","8.43","","90","","90","","90","","1194.23","","","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","Zn V3 O8","","- O8 V3 Zn -","- O8 V3 Zn -","- O64 V24 Zn8 -","8","1","","Lloyd, D.J.; Galy, J.","Alpha zinc vanadium(IV) divanadate(V), alpha-Zn V3 O8","Crystal Structure Communications","1973","2","","209","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525851","28.01","","6.794","","7.218","","90","","90","","90","","1373.58","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Te2 V2 O9","","- O9 Te2 V2 -","- O9 Te2 V2 -","- O72 Te16 V16 -","8","0.5","","Darriet, J.; Galy, J.","Tellurium(IV) vanadium(V) oxide, Te2 V2 O9","Crystal Structure Communications","1973","2","","237","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","146914","2020-10-21","18:00:00",""
"1525861","5.7766","","5.7837","","8.1718","","90","","90.039","","90","","273.021","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 Sb (Sb0.4 Ca0.6) O6","","- Ca0.6 O6 Sb1.4 Sr2 -","- Ca0.6 O6 Sb1.4 Sr2 -","- Ca1.2 O12 Sb2.8 Sr4 -","2","0.5","","Luhrs, C.C.; Beltran-Porter, D.; Sapina, F.; Fuertes, A.","Crystal chemistry and redox behaviour of antimony strontium calcium perovskites","International Journal of Inorganic Materials","2000","2","","483","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525954","5.3101","","5.3101","","18.02759","","90","","90","","90","","508.327","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Bi0.395 Co0.105) Sr2.5 Co O4.89","","- Bi0.395 Co1.105 O4.89 Sr2.5 -","- Bi0.395 Co1.105 O4.892 Sr2.5 -","- Bi1.58 Co4.42 O19.568 Sr10 -","4","0.125","","Masset, A.C.; Toulemonde, O.; Pelloquin, D.; Suard, E.; Maignan, A.; Hervieu, M.; Studer, F.; Michel, C.","(Bi0.4 Sr0.45 Co0.15) Sr2 Co O5-d : a new 1201-type oxygen dependent series of cobaltites","International Journal of Inorganic Materials","2000","2","","687","699","","","","","","","","","","","","","","","","","","","","","","has coordinates","147039","2020-10-21","18:00:00",""
"1525956","7.3722","","7.5911","","18.2233","","90","","90","","90","","1019.83","","","","","","","","","","","","","4","P n n n :2","-P 2ab 2bc","48","","(Bi0.395 Co0.105) Sr2.5 Co O4.498","","- Bi0.395 Co1.105 O4.498 Sr2.5 -","- Bi0.395 Co1.105 O4.498 Sr2.5 -","- Bi3.16 Co8.84 O35.984 Sr20 -","8","1","","Masset, A.C.; Studer, F.; Toulemonde, O.; Suard, E.; Pelloquin, D.; Maignan, A.; Hervieu, M.; Michel, C.","(Bi0.4 Sr0.45 Co0.15) Sr2 Co O5-d : a new 1201-type oxygen dependent series of cobaltites","International Journal of Inorganic Materials","2000","2","","687","699","","","","","","","","","","","","","","","","","","","","","","has coordinates","147041","2020-10-21","18:00:00",""
"1525961","9.3249","","9.3249","","6.9213","","90","","90","","120","","521.203","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","(Ca3.36 Na0.08) (Ca5.04 Na0.72) (P O4)3.6 (C O3)2.4 (O H)2","","- C2.4 H2 Ca8.4 Na0.8 O23.6 P3.6 -","- C2.4 Ca8.4 Na0.798 O23.6 P3.6 -","- C2.4 Ca8.4 Na0.798 O23.6 P3.6 -","1","0.0833333","","El Feki, H.; Savariault, J.M.; Ben Salah, A.; Jemal, M.","Sodium and carbonate distribution in substituted calcium hydroxyapatite","Solid State Sciences","2000","2","","577","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","147048","2020-10-21","18:00:00",""
"1525995","7.096","","12.4","","9.397","","90","","107.19","","90","","789.911","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Bi2.04 Ca0.94) (V O4)2 O","","- Bi2.04 Ca0.94 O9 V2 -","- Bi2.04 Ca0.94 O9 V2 -","- Bi8.16 Ca3.76 O36 V8 -","4","1","","Evans, J.S.O.; Sleight, A.W.","Synthesis and structure of Bi2 Ca V2 O9","International Journal of Inorganic Materials","2000","2","","375","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1526232","4.009","","4.009","","3.957","","90","","90","","120","","55.077","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","U (Cu0.49 Si1.51)","","- Cu0.49 Si1.51 U -","- Cu0.49 Si1.51 U -","- Cu0.49 Si1.51 U -","1","0.0416667","","Pechev, S.; Etourneau, J.; Roisnel, T.; Chevalier, B.; Darriet, B.","Magnetic structure of the U Cux Si2-x system","Solid State Sciences","2000","2","","773","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526233","4.007","","4.007","","3.971","","90","","90","","120","","55.217","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","U (Cu0.65 Si1.35)","","- Cu0.65 Si1.35 U -","- Cu0.65 Si1.35 U -","- Cu0.65 Si1.35 U -","1","0.0416667","","Pechev, S.; Etourneau, J.; Roisnel, T.; Darriet, B.; Chevalier, B.","Magnetic structure of the U Cux Si2-x system","Solid State Sciences","2000","2","","773","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526234","4.019","","4.019","","3.947","","90","","90","","120","","55.212","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","U (Cu0.9 Si1.1)","","- Cu0.9 Si1.1 U -","- Cu0.9 Si1.1 U -","- Cu0.9 Si1.1 U -","1","0.0416667","","Pechev, S.; Roisnel, T.; Etourneau, J.; Chevalier, B.; Darriet, B.","Magnetic structure of the U Cux Si2-x system","Solid State Sciences","2000","2","","773","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526235","4.065","","4.065","","7.727","","90","","90","","120","","110.576","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","U (Cu0.96 Si1.04)","","- Cu0.96 Si1.04 U -","- Cu0.96 Si1.04 U -","- Cu1.92 Si2.08 U2 -","2","0.0833333","","Pechev, S.; Roisnel, T.; Chevalier, B.; Darriet, B.; Etourneau, J.","Magnetic structure of the U Cux Si2-x system","Solid State Sciences","2000","2","","773","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526307","14.96","","6.112","","12.632","","90","","118.45","","90","","1015.53","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Co (H2 O)6) (N O3)2","","- Co H12 N2 O12 -","- Co H12 N2 O12 -","- Co4 H48 N8 O48 -","4","0.5","","Prelesnik, P.V.; Gabela, F.; Ribar, B.; Krstanovic, I.","Hexaquacobalt(II) nitrate, Co (O H2)6 (N O3)2","Crystal Structure Communications","1973","2","","581","583","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1526309","5.505","","11.699","","14.276","","90","","90","","90","","919.417","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Bi Cd (V O4) O","","- Bi Cd O5 V -","- Bi Cd O5 V -","- Bi8 Cd8 O40 V8 -","8","2","","Radosavljevic, I.; Sleight, A.W.; Howard, J.A.K.","Synthesis and structure of two new bismuth cadmium vanadates, Bi Cd V O5 and Bi Cd2 V O6, and structures of Bi Ca2 As O6 and Bi Mg2 P O6","International Journal of Inorganic Materials","2000","2","","543","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526311","8.88479","","11.97231","","5.54532","","90","","90","","90","","589.864","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Bi Ca2 (As O4) O2","","- As Bi Ca2 O6 -","- As Bi Ca2 O6 -","- As4 Bi4 Ca8 O24 -","4","0.5","","Radosavljevic, I.; Howard, J.A.K.; Sleight, A.W.","Synthesis and structure of two new bismuth cadmium vanadates, Bi CdV O5 and Bi Cd2 V O6, and structures of Bi Ca2 As O6 and Bi Mg2 PO6","International Journal of Inorganic Materials","2000","2","","543","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526313","5.2743","","7.8088","","11.8948","","90","","90","","90","","489.899","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Bi Mg2 (P O4) O2","","- Bi Mg2 O6 P -","- Bi Mg2 O6 P -","- Bi4 Mg8 O24 P4 -","4","0.5","","Radosavljevic, I.; Howard, J.A.K.; Sleight, A.W.","Synthesis and structure of two new bismuth cadmium vanadates, Bi CdV O5 and Bi Cd2 V O6, and structures of Bi Ca2 As O6 and Bi Mg2 PO6","International Journal of Inorganic Materials","2000","2","","543","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526403","15.309","","3.61","","7.335","","90","","101.84","","90","","396.748","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Cu2.324 V4 O11","","- Cu2.324 O11 V4 -","- Cu2.324 O11 V4 -","- Cu4.648 O22 V8 -","2","0.5","","Rozier, P.; Satto, C.; Galy, J.","The vanadium oxide bronze Cu2.33-x V4 O11. Solid state chemistry, XRD","Solid State Sciences","2000","2","","595","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","147582","2020-10-21","18:00:00",""
"1526521","9.14","","9.14","","9.14","","90","","90","","90","","763.552","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Zr (W0.977 Mo1.023) O8","","- Mo1.023 O8 W0.977 Zr -","- Mo1.024 O7.998 W0.976 Zr -","- Mo4.096 O31.992 W3.904 Zr4 -","4","0.166667","","Kameswari, U.; Sleight, A.W.; Evans, J.S.O.","Rapid synthesis of Zr W2 O8 and related phases, and structure refinement of Zr W Mo O8","International Journal of Inorganic Materials","2000","2","","333","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526560","3.653","","3.653","","5.337","","90","","90","","90","","71.219","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Li2 Na N","","- Li2 N Na -","- Li2 N Na -","- Li4 N2 Na2 -","2","0.0625","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1526562","5.265","","5.265","","5.265","","90","","90","","90","","145.947","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li2 Na N","","- Li2 N Na -","- Li2 N Na -","- Li8 N4 Na4 -","4","0.0208333","","Schoen, J.C.; Jansen, M.; Wevers, M.A.C.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:56",""
"1526563","3.698","","6.365","","4.6","","90","","90","","90","","108.274","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Li2 Na N","","- Li2 N Na -","- Li2 N Na -","- Li4 N2 Na2 -","2","0.125","","Schoen, J.C.; Jansen, M.; Wevers, M.A.C.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:56",""
"1526565","3.65","","3.65","","4.6","","90","","90","","120","","53.073","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Li2 Na N","","- Li2 N Na -","- Li2 N Na -","- Li2 N Na -","1","0.0416667","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526567","3.895","","3.895","","6.114","","90","","90","","90","","92.756","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Li Na2 N","","- Li N Na2 -","- Li N Na2 -","- Li2 N2 Na4 -","2","0.125","","Schoen, J.C.; Jansen, M.; Wevers, M.A.C.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:56",""
"1526569","4","","4","","4.2","","90","","90","","120","","58.197","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Li Na2 N","","- Li N Na2 -","- Li N Na2 -","- Li N Na2 -","1","0.0416667","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526570","3.652","","3.652","","5.436","","90","","90","","90","","72.5","","","","","","","","","","","","","3","P -4 m 2","P -4 -2","115","","Li3 Na3 N2","","- Li3 N2 Na3 -","- Li3 N2 Na3 -","- Li3 N2 Na3 -","1","0.125","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","147770","2020-10-21","18:00:00",""
"1526572","3.854","","3.676","","6.32","","90","","90.31","","90","","89.536","","","","","","","","","","","","","3","P 1 m 1","P -2y","6","","Li3 Na3 N2","","- Li3 N2 Na3 -","- Li3 N2 Na3 -","- Li3 N2 Na3 -","1","0.5","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","147772","2020-10-21","18:00:00",""
"1526574","3.965","","3.965","","5.504","","90","","90","","90","","86.53","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Li5 Na N2","","- Li5 N2 Na -","- Li5 N2 Na -","- Li5 N2 Na -","1","0.0625","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526576","4.28","","3.86","","7.827","","90","","121.71","","90","","110.005","","","","","","","","","","","","","3","P 1 m 1","P -2y","6","","Li5 Na N2","","- Li5 N2 Na -","- Li5 N2 Na -","- Li5 N2 Na -","1","0.5","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526578","6.731","","5.944","","6.383","","90","","91.18","","90","","255.324","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Li Na5 N2","","- Li N2 Na5 -","- Li N2 Na5 -","- Li2 N4 Na10 -","2","0.5","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526580","6.57","","4.056","","3.7288","","89.48","","90.53","","88.84","","99.336","","","","","","","","","","","","","3","P 1","P 1","1","","Li Na5 N2","","- Li N2 Na5 -","- Li N2 Na5 -","- Li N2 Na5 -","1","1","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526733","3.973","","11.228","","5.595","","90","","134.75","","90","","177.253","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Nd2 Gd2 O3 F6","","- F6 Gd2 Nd2 O3 -","- F6 Gd2 Nd2 O3 -","- F6 Gd2 Nd2 O3 -","1","0.25","","Takashima, M.; Nakajima, Y.; Tanioka, T.; Yonezawa, S.; Leblanc, M.","Oxide ion conductive structure and chemical stability of Nd2 Gd2 O3 F6","Solid State Sciences","2000","2","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","147974","2020-10-21","18:00:00",""
"1526741","5.35326","","7.5548","","5.34146","","90","","90","","90","","216.024","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.9 Sr0.1) (Fe O3)","","- Ca0.9 Fe O3 Sr0.1 -","- Ca0.9 Fe O3 Sr0.1 -","- Ca3.6 Fe4 O12 Sr0.4 -","4","0.5","","Takeda, T.; Kanno, R.; Kawamoto, Y.; Izumi, F.; Takano, M.; Kawasaki, S.; Kamiyama, T.","Metal-semiconductor transition, charge disproportionation, and low-temperature structure of Ca1-x Srx Fe O3 synthesized under high-oxygen pressure","Solid State Sciences","2000","2","","673","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526743","5.3602","","7.5762","","5.3605","","90","","90","","90","","217.69","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.8 Sr0.2) (Fe O3)","","- Ca0.8 Fe O3 Sr0.2 -","- Ca0.8 Fe O3 Sr0.2 -","- Ca3.2 Fe4 O12 Sr0.8 -","4","0.5","","Takeda, T.; Kanno, R.; Kawamoto, Y.; Takano, M.; Kawasaki, S.; Izumi, F.; Kamiyama, T.","Metal-semiconductor transition, charge disproportionation, and low-temperature structure of Ca1-x Srx Fe O3 synthesized under high-oxygen pressure","Solid State Sciences","2000","2","","673","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526745","5.39295","","7.6062","","5.3824","","90","","90","","90","","220.785","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.6 Sr0.4) (Fe O3)","","- Ca0.6 Fe O3 Sr0.4 -","- Ca0.6 Fe O3 Sr0.4 -","- Ca2.4 Fe4 O12 Sr1.6 -","4","0.5","","Takeda, T.; Takano, M.; Kanno, R.; Kawamoto, Y.; Kawasaki, S.; Kamiyama, T.; Izumi, F.","Metal-semiconductor transition, charge disproportionation, and low-temperature structure of Ca1-x Srx Fe O3 synthesized under high-oxygen pressure","Solid State Sciences","2000","2","","673","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526747","3.8367","","3.8367","","3.8367","","90","","90","","90","","56.477","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Ca0.2 Sr0.8) (Fe O3)","","- Ca0.2 Fe O3 Sr0.8 -","- Ca0.2 Fe O3 Sr0.8 -","- Ca0.2 Fe O3 Sr0.8 -","1","0.0208333","","Takeda, T.; Kamiyama, T.; Kanno, R.; Izumi, F.; Kawamoto, Y.; Takano, M.; Kawasaki, S.","Metal-semiconductor transition, charge disproportionation, and low-temperature structure of Ca1-x Srx Fe O3 synthesized under high-oxygen pressure","Solid State Sciences","2000","2","","673","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526749","5.31301","","5.34719","","7.52351","","90","","90.063","","90","","213.74","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ca (Fe O3)","","- Ca Fe O3 -","- Ca Fe O3 -","- Ca4 Fe4 O12 -","4","1","","Takeda, T.; Takano, M.; Kawamoto, Y.; Kanno, R.; Kamiyama, T.; Kawasaki, S.; Izumi, F.","Metal-semiconductor transition, charge disproportionation, and low-temperature structure of Ca1-x Srx Fe O3 synthesized under high-oxygen pressure","Solid State Sciences","2000","2","","673","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526751","5.35168","","7.54004","","5.32613","","90","","90","","90","","214.919","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca (Fe O3)","","- Ca Fe O3 -","- Ca Fe O3 -","- Ca4 Fe4 O12 -","4","0.5","","Takeda, T.; Kanno, R.; Kawamoto, Y.; Takano, M.; Kawasaki, S.; Kamiyama, T.; Izumi, F.","Metal-semiconductor transition, charge disproportionation, and low-temperature structure of Ca1-x Srx Fe O3 synthesized under high-oxygen pressure","Solid State Sciences","2000","2","","673","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526812","9.82","","9.82","","9.82","","90","","90","","90","","946.966","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(N H4)2 Mn Cl6","","- Cl6 H8 Mn N2 -","- Cl6 H8 Mn N2 -","- Cl24 H32 Mn4 N8 -","4","0.0208333","","Lalancette, R.A.; Elliott, N.; Bernal, I.","Crystal structures and magnetic properties of A2 Mn Cl6 salts (A = (N H4)(+)), K(+) and Rb(+))","Journal of Crystal and Molecular Structure","1972","2","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1526814","9.838","","9.838","","9.838","","90","","90","","90","","952.183","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rb2 Mn Cl6","","- Cl6 Mn Rb2 -","- Cl6 Mn Rb2 -","- Cl24 Mn4 Rb8 -","4","0.0208333","","Lalancette, R.A.; Elliott, N.; Bernal, I.","Crystal structures and magnetic prooerties of A2 Mn Cl6 salts (A = (N H4)(+), K(+) and Rb(+))","Journal of Crystal and Molecular Structure","1972","2","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526932","3.976","","3.976","","3.976","","90","","90","","90","","62.855","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr W O1.69 N1.31","","- N1.31 O1.69 Sr W -","- N1.308 O1.689 Sr W -","- N1.308 O1.689 Sr W -","1","0.0208333","","Weller, M.T.; Skinner, S.J.","Neutron and X-ray powder diffraction studies of the oxynitrides Sr W (O, N)3, Ba3 W2 (O, N)8 and Ba3 Mo2 (O, N)8","International Journal of Inorganic Materials","2000","2","","463","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526933","6.0083","","6.0083","","21.4637","","90","","90","","120","","671.025","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba3 W2 O6.27 N1.73","","- Ba3 N1.73 O6.27 W2 -","- Ba3 N1.732 O6.268 W2 -","- Ba9 N5.196 O18.804 W6 -","3","0.0833333","","Weller, M.T.; Skinner, S.J.","Neutron and X-ray powder diffraction studies of the oxynitrides Sr W (O, N)3, Ba3 W2 (O, N)8 and Ba3 Mo2 (O, N)8","International Journal of Inorganic Materials","2000","2","","463","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","148214","2020-10-21","18:00:00",""
"1526934","5.9706","","5.9706","","21.502","","90","","90","","120","","663.813","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba3 Mo2 (O6.04 N1.96)","","- Ba3 Mo2 N1.96 O6.04 -","- Ba3 Mo2 N1.958 O6.042 -","- Ba9 Mo6 N5.874 O18.126 -","3","0.0833333","","Weller, M.T.; Skinner, S.J.","Neutron and X-ray powder diffraction studies of the oxynitrides Sr W (O, N)3, Ba3 W2 (O, N)8 and Ba3 Mo2 (O, N)8","International Journal of Inorganic Materials","2000","2","","463","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","148215","2020-10-21","18:00:00",""
"1526955","5.92767","","5.92767","","14.5699","","90","","90","","120","","443.359","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Fe3 O4 -","- Fe3 O4 -","- Fe18 O24 -","6","0.166667","","Wright, J.P.; Bell, A.M.T.; Attfield, J.P.","Variable temperature powder neutron diffraction study of the Verwey transition in magnetite Fe3 O4","Solid State Sciences","2000","2","","747","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527399","5.93","","10.48","","7.03","","90","","90","","90","","436.889","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K2 (Zr O3)","","- K2 O3 Zr -","- K2 O3 Zr -","- K8 O12 Zr4 -","4","0.5","","Gatehouse, B.M.; Lloyd, D.J.","The crystal structure of potassium metazirconate, K2 Zr O3, and its tin analogue, K2 Sn O4","Journal of Solid State Chemistry","1970","2","","410","415","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527400","5.74","","10.34","","7.14","","90","","90","","90","","423.77","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K2 (Sn O3)","","- K2 O3 Sn -","- K2 O3 Sn -","- K8 O12 Sn4 -","4","0.5","","Gatehouse, B.M.; Lloyd, D.J.","The crystal structure of potassium metazirconate, K2 Zr O3, and its tin analogue, K2 Sn O4","Journal of Solid State Chemistry","1970","2","","410","415","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527413","7.01","","4.14","","5.43","","90","","90","","90","","157.586","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ho Ni -","- Ho Ni -","- Ho4 Ni4 -","4","0.5","","Gignoux, D.; Paccard, D.; Rossat-Mignod, J.; Tcheou, F.","Importance of the crystal field on the magnetic moment orientation in the equiatomic rare earth-nickel R Ni compounds (R= Tb to Tm)","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1973","2","","596","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527605","6.092","","3.208","","8.6335","","90","","102.43","","90","","164.771","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Mo2.06 S3","","- Mo2 S3 -","- Mo2 S3 -","- Mo4 S6 -","2","0.5","","de Jonge, R.; Popma, T.J.A.; Wiegers, G.A.; Jellinek, F.","Structure and phase transitions of molybdenum(III) sulfide and some related phases","Journal of Solid State Chemistry","1970","2","","188","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","149266","2020-10-21","18:00:00",""
"1527629","6.137","","6.137","","6.137","","90","","90","","90","","231.136","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Tb Te -","- Tb Te -","- Tb4 Te4 -","4","0.0208333","","Khan, A.; Garcia, C.","Crystal growth and phase studies in ternary rare earth (Ln) tellurides","Proc. Rare Earth Res. Conf.","1976","2","","953","960","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527647","10.08","","5.81","","5.03","","90","","90","","90","","294.581","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Na In (W O4)2","","- In Na O8 W2 -","- In Na O8 W2 -","- In2 Na2 O16 W4 -","2","0.5","","Klevtsov, P.V.; Klevtsova, R.F.","Single-crystal synthesis and investigation of the double tungstates Na R (W O4)2, where R(III)= Fe, Sc Ga and In","Journal of Solid State Chemistry","1970","2","","278","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527690","8.814","","8.814","","5.14","","90","","90","","90","","399.309","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Sc Zn12 -","- Sc Zn12 -","- Sc2 Zn24 -","2","0.0625","","Kripyakevich, P.I.; Protasov, V.S.; Kuz'ma, Yu.B.","Crystal structure of compounds in the scandium-zinc system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1966","2","","1574","1580","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527847","5.016","","5.016","","3.982","","90","","90","","120","","86.765","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Co5 (Nd0.5 Pr0.5)","","- Co5 Nd0.5 Pr0.5 -","- Co5 Nd0.5 Pr0.5 -","- Co5 Nd0.5 Pr0.5 -","1","0.0416667","","Moze, O.; del Moral, A.; Ibarra, M.R.; Marusi, G.; Algarabel, P.A.","Spin reorientation phse transitions in RE-Co5 hexagonal ferromagnets","Journal of Physics: Condensed Matter","1990","2","","6031","6043","","","","","","","","","","","","","","","","","","","","","","has coordinates","149628","2020-10-21","18:00:00",""
"1527857","6.425","","7.543","","8.169","","90","","96.5","","90","","393.356","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Cs0.25 Mo O3 -","- Cs0.25 Mo O3 -","- Cs1.5 Mo6 O18 -","6","1.5","","Mumme, W.G.; Watts, J.A.","The Crystal Structure of the Molybdenum Bronze Csx Mo O3 (X ca. 0.25)","Journal of Solid State Chemistry","1970","2","","16","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527888","3.4198","","3.4198","","11.444","","90","","90","","120","","115.907","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Ti2.45 S4","","- S4 Ti2.45 -","- S4 Ti2.4546 -","- S4 Ti2.4546 -","1","0.0833333","","Norrby, L.J.; Franzen, H.F.","Refinement of the Crystal Structure of Nonstoichiometric Ti2+X S4","Journal of Solid State Chemistry","1970","2","","36","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","149677","2020-10-21","18:00:00",""
"1527921","5.5","","3.28","","7.28","","90","","90","","90","","131.331","","","","","","","","","","","","","1","C 1 2/c 1","-C 2yc","15","","","","- F2 -","- F2 -","- F8 -","4","0.5","","Pauling, L.; Keaveny, I.; Robinson, A.B.","The crystal structure of alpha-fluorine","Journal of Solid State Chemistry","1970","2","","225","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527967","5.9371","","3.4997","","6.7158","","90","","90","","90","","139.541","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co Mn P -","- Co Mn P -","- Co4 Mn4 P4 -","4","0.5","","Radhakrishna, P.; Fujii, H.; Schweiss, P.; Brown, P.J.; Reichardt, W.; Doniach, S.","Magnetic and neutron diffraction studies on (Co1-x Mnx)2 P","Journal of Physics: Condensed Matter","1990","2","","3359","3368","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528088","5.3138","","5.3138","","5.3138","","90","","90","","90","","150.043","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Sc Y) S2","","- S2 Sc Y -","- S2 Sc Y -","- S4 Sc2 Y2 -","2","0.0104167","","Steiger, R.P.; Cater, E.D.","The preparation and identification of the Zr S phase in the zirconium-sulfur system","High Temperature Science","1970","2","","398","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528857","7.826","","7.826","","7.826","","90","","90","","120","","415.098","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Co3 W9 C4","","- C4 Co3 W9 -","- C4 Co3 W9 -","- C8 Co6 W18 -","2","0.0833333","","Schoenberg, M.","The structure of the Co3 W3 C4 phase","Acta Metallurgica","1954","2","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","151597","2020-10-21","18:00:00",""
"1529388","8.5528","0.0007","18.049","0.002","8.8422","0.0007","90","","90","","90","","1365","0.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3 H6 N2 O5 Pb0.5 -","- C3 H7 N2 O5 Pb0.5 -","- C24 H56 N16 O40 Pb4 -","8","1","","N.N. Golovnev; A.D. Vasiliev; M.S. Molokeev; G.V. Novikova; M.V. Sergeeva","The synthesis of complex compounds of metals with b-alanine","Vestnik KrasSU","2004","2","0","14","19","","","","0.70926","","","0.0967","0.0425","","","0.1215","0.1345","","","","","","1.028","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529513","3.558","","3.558","","19.51","","90","","90","","120","","213.895","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na0.9 Cr0.9 Ti0.1 S2","","- Cr0.9 Na0.9 S2 Ti0.1 -","- Cr0.9 Na0.9 S2 Ti0.1 -","- Cr2.7 Na2.7 S6 Ti0.3 -","3","0.0833333","","Abou Ghaloun, O.; Chevalier, P.; Trichet, L.; Rouxel, J.","Structural, electrical, magnetic and NMR study of the Nax Crx Ti(1-x) S2 system","Solid State Ionics","1981","2","","231","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","153945","2020-10-21","18:00:00",""
"1529514","3.48","","3.48","","20.55","","90","","90","","120","","215.527","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Na0.7 Cr0.7 Ti0.3 S2","","- Cr0.7 Na0.7 S2 Ti0.3 -","- Cr0.7 Na0.7 S2 Ti0.3 -","- Cr2.1 Na2.1 S6 Ti0.9 -","3","0.166667","","Abou Ghaloun, O.; Rouxel, J.; Chevalier, P.; Trichet, L.","Structural, electrical, magnetic and NMR study of the Nax Crx Ti(1-x) S2 system","Solid State Ionics","1981","2","","231","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","153946","2020-10-21","18:00:00",""
"1529540","13.616","","17.158","","16.681","","90","","90","","90","","3897.07","","","","","","","","","","","","","6","A m m a","-A 2a 2a","63","","Na0.384 Ca2.816 H1.94 (Si28.044 Al7.956 O72) (H2 O)1.28","","- Al7.956 Ca2.816 H4.5 Na0.384 O73.28 Si28.044 -","- Al7.956 Ca2.816 Na0.384 O73.28 Si28.044 -","- Al15.912 Ca5.632 Na0.768 O146.56 Si56.088 -","2","0.125","","Alberti, A.; Rinaldi, R.; Vezzalini, G.","Dynamics of dehydration in stilbite-type structures; stellerite phase B","Physics and Chemistry of Minerals (Germany)","1978","2","","365","375","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529714","9.42","","9.42","","9.42","","94.21","","94.21","","94.21","","828.778","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Ba1.4 (Al3.72 Si8.28 O24) (H2 O)7.4","","- Al3.72 Ba1.4 H14.8 O31.4 Si8.28 -","- Al3.72 Ba1.412 O31.44 Si8.28 -","- Al3.72 Ba1.412 O31.44 Si8.28 -","1","0.0833333","","Calligaris, M.; Nardin, G.","Cation site location in hydrated chabazites. Crystal structure of barium- and cadmium-exchanged chabazites","Zeolites","1982","2","","200","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529715","9.435","","9.435","","9.435","","94.66","","94.66","","94.66","","831.084","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Cd1.68 (Si8.28 Al3.72 O24) (H2 O)10.56","","- Al3.72 Cd1.68 H21.12 O34.56 Si8.28 -","- Al3.72 Cd1.68 O34.56 Si8.28 -","- Al3.72 Cd1.68 O34.56 Si8.28 -","1","0.0833333","","Calligaris, M.; Nardin, G.","Cation site location in hydrated chabazites. Crystal structure of barium- and cadmium- exchanged chabazites","Zeolites","1982","2","","200","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530083","24.71399","","24.71399","","24.71399","","90","","90","","90","","15094.8","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Li62.4 Al86 Si106 O384 H23.6","","- Al86 H23.6 Li62.4 O384 Si106 -","- Al85.9968 Li62.4 O384 Si106.003 -","- Al85.9968 Li62.4 O384 Si106.003 -","1","0.00520833","","Herden, H.; Mortier, W.J.; Schoellner, R.; Einicke, W.D.; Uytterhoeven, J.B.; Gellens, L.R.","Location of Li-ions in synthetic zeolites X and Y","Zeolites","1982","2","","131","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530084","24.59099","","24.59099","","24.59099","","90","","90","","90","","14870.6","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","H4 Na12.8 Li39.2 Al56 Si136 O384","","- Al56 H4 Li39.2 Na12.8 O384 Si136 -","- Al56.0064 Li36.96 Na12.8 O384 Si135.994 -","- Al56.0064 Li36.96 Na12.8 O384 Si135.994 -","1","0.00520833","","Herden, H.; Einicke, W.D.; Schoellner, R.; Mortier, W.J.; Gellens, L.R.; Uytterhoeven, J.B.","Location of Li-ions in synthetic zeolites X and Y","Zeolites","1982","2","","131","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530909","4.571","","4.571","","8.853","","90","","90","","90","","184.975","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","W Cr2 O6","","- Cr2 O6 W -","- Cr2 O6 W -","- Cr4 O12 W2 -","2","0.125","","Trunov, V.K.; Kovba, L.M.","About the interaction between the trioxides of molybdenum and tungsten and iron and chromium sesquioxides","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1966","2","","151","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530955","4.204","","4.205","","11.414","","90","","90","","91.34","","201.719","","","","","","","","","","","","","3","P 1 1 2/n","-P 2ab","13","","Pb (Sn F4)","","- F4 Pb Sn -","- F4 Pb Sn -","- F8 Pb2 Sn2 -","2","0.5","","Vilminot, S.; Perez, G.; Cot, L.; Granier, W.","High ionic conductivity in new fluorine compounds of Tin II. I. On Pb Sn F4. Relation between structure and conductivity","Solid State Ionics","1981","2","","87","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530960","12.136","","12.136","","12.136","","90","","90","","90","","1787.42","","","","","","","","","","","","","4","F 2 3","F 2 2 3","196","","Li5 B7 O12.5 Cl","","- B7 Cl Li5 O12.5 -","- B7 Cl Li5 O12.5 -","- B56 Cl8 Li40 O100 -","8","0.166667","","Vlasse, M.; Levasseur, A.; Hagenmuller, P.","Crystal structure of Li5 B7 O12.5 Cl at 296 and 425 k","Solid State Ionics","1981","2","","33","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530977","9.681","","9.681","","9.681","","90","","90","","90","","907.32","","","","","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","(K0.1 Li0.9) (Sb O3)","","- K0.1 Li0.9 O3 Sb -","- K0.1 Li0.9 O3 Sb -","- K1.2 Li10.8 O36 Sb12 -","12","0.5","","Watelet, H.; Picard, J.P.; Baud, G.; Besse, J.P.; Chevalier, R.","Structure et proprietes de conduction du compose K0.1 Li0.9 Sb O3","Solid State Ionics","1981","2","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531083","17.7478","","17.191","","3.941","","90","","90","","90","","1202.41","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Cu1.264 Ta11 O26.19 F4.8","","- Cu1.264 F4.8 O26.19 Ta11 -","- Cu1.264 F4.805 O26.195 Ta11 -","- Cu2.528 F9.61 O52.39 Ta22 -","2","0.125","","Askeljung, C.; Lundberg, M.; Sundberg, M.","Cu1.1 Ta11 O26.2 F4.8: a tetragonal-tungsten-bronze-related structure with square planar coordination of copper","International Journal of Inorganic Materials","2000","2","","469","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","156407","2020-10-21","18:00:00",""
"1531195","9.55","","8.712","","5.272","","90","","107.44","","90","","418.465","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na Cr Si2 O6","","- Cr Na O6 Si2 -","- Cr Na O6 Si2 -","- Cr4 Na4 O24 Si8 -","4","0.5","","Clark, J.R.; Appleman, D.E.; Papike, J.J.","Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements","Mineralogical Society of America: Special Papers","1969","2","","31","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531198","9.551","","8.751","","5.254","","90","","106.87","","90","","420.236","","","","","","","","","","","","","7","P 1 2 1","P 2y","3","","(Na0.5 Ca0.5) (Mg0.43 Fe0.07 Al0.5) (Si2 O6)","","- Al0.5 Ca0.5 Fe0.07 Mg0.43 Na0.5 O6 Si2 -","- Al0.5 Ca0.5 Fe0.07 Mg0.43 Na0.5 O6 Si2 -","- Al2 Ca2 Fe0.28 Mg1.72 Na2 O24 Si8 -","4","2","","Clark, J.R.; Papike, J.J.; Appleman, D.E.","Crystal-chemical characterization of clinopyroxenes based on eight new structure refinements","Mineralogical Society of America: Special Papers","1969","2","","31","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","156550","2020-10-21","18:00:00",""
"1531200","9.646","","8.824","","5.27","","90","","106.598","","90","","429.872","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Na.32 Ca.59 Mg.60 Fe.25 Al.24 (Si2 O6)","","- Al0.24 Ca0.59 Fe0.25 Mg0.6 Na0.32 O6 Si2 -","- Al0.24 Ca0.59 Fe0.25 Mg0.6 Na0.32 O6 Si2 -","- Al0.96 Ca2.36 Fe Mg2.4 Na1.28 O24 Si8 -","4","0.5","","Clark, J.R.; Papike, J.J.; Appleman, D.E.","Crystal-chemical characterization of clinopyroxenes based on eight new structure refinements","Mineralogical Society of America: Special Papers","1969","2","","31","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","156553","2020-10-21","18:00:00",""
"1531781","7.3087","","12.7246","","9.0913","","90","","119.01","","90","","739.414","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na2 (Si3 O7) (H2 O)","","- H2 Na2 O8 Si3 -","- H2 Na2 O8 Si3 -","- H8 Na8 O32 Si12 -","4","1","","Matijasic, A.; Marler, B.; Patarin, J.","Synthesis and characterization of Mu-11: a porous sodium trisilicate Na2 Si3 O7 * (H2 O) with 10-membered ring openings","International Journal of Inorganic Materials","2000","2","","209","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","157339","2020-10-21","18:00:00",""
"1532023","9.818","","18.047","","5.275","","90","","104.65","","90","","904.267","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ca2 Mg5 (O H)2 (Si8 O22)","","- Ca2 H2 Mg5 O24 Si8 -","- Ca2 H2 Mg5 O24 Si8 -","- Ca4 H4 Mg10 O48 Si16 -","2","0.25","","Papike, J.J.; Ross, M.; Clark, J.R.","Crystal-chemical characterization of clinoamphiboles based on five new structure refinements","Mineralogical Society of America: Special Papers","1969","2","","117","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532025","9.583","","18.091","","5.315","","90","","102.633","","90","","899.133","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","Ca0.2 Mg4.2 Fe0.55 Mn2.05 Si8 O22 (O H) F","","- Ca0.2 F Fe0.55 H Mg4.2 Mn2.05 O23 Si8 -","- Ca0.2 F Fe0.55 Mg4.2 Mn2.05 O23 Si8 -","- Ca0.4 F2 Fe1.1 Mg8.4 Mn4.1 O46 Si16 -","2","0.25","","Papike, J.J.; Clark, J.R.; Ross, M.","Crystal-chemical characterization of clinoamphiboles based on five new structure refinements","Mineralogical Society of America: Special Papers","1969","2","","117","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532027","10.019","","18.036","","5.286","","90","","104.983","","90","","922.72","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","K (Na Ca) (Mg4.5 Fe0.3 Ti0.1 Ca0.1) (Si7.4 Al0.3 Ti0.3 O22) (O H)2","","- Al0.3 Ca1.1 Fe0.3 H2 K Mg4.5 Na O24 Si7.4 Ti0.4 -","- Al0.3 Ca1.1 Fe0.3 K Mg4.5 Na O24 Si7.4 Ti0.4 -","- Al0.6 Ca2.2 Fe0.6 K2 Mg9 Na2 O48 Si14.8 Ti0.8 -","2","0.25","","Papike, J.J.; Ross, M.; Clark, J.R.","Crystal-chemical characterization of clinoamphiboles based on five new structure refinements","Mineralogical Society of America: Special Papers","1969","2","","117","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532029","9.55","","18.007","","5.298","","90","","102.65","","90","","888.965","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","(Na0.06 Ca0.38 Mg0.56 Mn) Mg5 (Si8 O22 (O H)2)","","- Ca0.38 H2 Mg5.56 Mn Na0.06 O24 Si8 -","- Ca0.38 Mg5.56 Mn Na0.06 O24 Si8 -","- Ca0.76 Mg11.12 Mn2 Na0.12 O48 Si16 -","2","0.5","","Papike, J.J.; Clark, J.R.; Ross, M.","Crystal-chemical characterization of clinoamphiboles based on five new structure refinements","Mineralogical Society of America: Special Papers","1969","2","","117","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532246","2.96","","2.96","","11.127","","90","","90","","120","","84.429","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na0.66 (Li0.23 Ti0.77) O2","","- Li0.23 Na0.66 O2 Ti0.77 -","- Li0.23 Na0.651 O2 Ti0.77 -","- Li0.46 Na1.302 O4 Ti1.54 -","2","0.0833333","","Shilov, G.V.; Nalbandyan, V.B.; Volochaev, V.A.; Atovmyan, L.O.","Crystal growth and crystal structures of the layered ionic conductors - sodium lithium titanium oxides","International Journal of Inorganic Materials","2000","2","","443","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","157926","2020-10-21","18:00:00",""
"1532248","2.993","","2.993","","16.045","","90","","90","","120","","124.475","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(Na0.73 Li0.24) (Li0.32 Ti0.68) O2","","- Li0.56 Na0.73 O2 Ti0.68 -","- Li0.56 Na0.73 O2 Ti0.68 -","- Li1.68 Na2.19 O6 Ti2.04 -","3","0.0833333","","Shilov, G.V.; Nalbandyan, V.B.; Atovmyan, L.O.; Volochaev, V.A.","Crystal growth and crystal structures of the layered ionic conductors - sodium lithium titanium oxides","International Journal of Inorganic Materials","2000","2","","443","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","157929","2020-10-21","18:00:00",""
"1532363","3.8578","","3.8803","","27.26","","90","","90","","90","","408.066","","","","","","","","","","","","","5","A m m m","-A 2 2","65","","(Y0.625 Nd0.375) Ba2 Cu4 O8","","- Ba2 Cu4 Nd0.375 O8 Y0.625 -","- Ba2 Cu4 Nd0.375 O8 Y0.625 -","- Ba4 Cu8 Nd0.75 O16 Y1.25 -","2","0.125","","Valo, J.; Leskela, M.; Hauback, B.C.; Fjellvag, H.; Koo, S.-M.; Rao, K.V.","Nd substitution effects in Y Ba2 Cu4 O8 prepared using a conversionreaction from Y1-x Ndx Ba2 Cu3 O7-d and Cu O","International Journal of Inorganic Materials","2000","2","","269","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532365","3.8652","","3.884","","27.295","","90","","90","","90","","409.764","","","","","","","","","","","","","5","A m m m","-A 2 2","65","","(Y0.5 Nd0.5) Ba2 Cu4 O8","","- Ba2 Cu4 Nd0.5 O8 Y0.5 -","- Ba2 Cu4 Nd0.5 O8 Y0.5 -","- Ba4 Cu8 Nd O16 Y -","2","0.125","","Valo, J.; Leskela, M.; Koo, S.-M.; Fjellvag, H.; Hauback, B.C.; Rao, K.V.","Nd substitution effects in Y Ba2 Cu4 O8 prepared using a conversionreaction from Y1-x Ndx Ba2 Cu3 O7-d and Cu O","International Journal of Inorganic Materials","2000","2","","269","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532367","3.8759","","3.8864","","27.308","","90","","90","","90","","411.349","","","","","","","","","","","","","5","A m m m","-A 2 2","65","","(Y0.375 Nd0.625) Ba2 Cu4 O8","","- Ba2 Cu4 Nd0.625 O8 Y0.375 -","- Ba2 Cu4 Nd0.625 O8 Y0.375 -","- Ba4 Cu8 Nd1.25 O16 Y0.75 -","2","0.125","","Valo, J.; Fjellvag, H.; Leskela, M.; Hauback, B.C.; Koo, S.-M.; Rao, K.V.","Nd substitution effects in Y Ba2 Cu4 O8 prepared using a conversionreaction from Y1-x Ndx Ba2 Cu3 O7-d and Cu O","International Journal of Inorganic Materials","2000","2","","269","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532446","6.9782","","7.7578","","8.623","","106.354","","105.961","","82.471","","429.928","","","","","","","","","","","","","5","P -1","-P 1","2","","(N H4) Sm H (P3 O10)","","- H5 N O10 P3 Sm -","- H5 N O10 P3 Sm -","- H10 N2 O20 P6 Sm2 -","2","1","","Zouari, N.; Daoud, A.; Mhiri, T.; Lebraud, E.; Gravereau, P.","Crystal structure and Rietveld refinement using X-ray powder diffraction data of two potassium and ammonium - samarium condensed phosphates: K Sm H P3 O10 and N H4 Sm H P3 O10","International Journal of Inorganic Materials","2000","2","","379","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533300","6.701","","6.701","","6.701","","90","","90","","90","","300.898","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Hf3 N4 -","- Hf3 N4 -","- Hf12 N16 -","4","0.0833333","","Zerr, A.; Miehe, G.; Riedel, R.","Synthesis of cubic zirconium and hafnium nitride having Th~3~P~4~ structure","Nature Materials","2003","2","3","185","189","10.1038/nmat836","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533301","6.74","","6.74","","6.74","","90","","90","","90","","306.182","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Zr3 N4","","- N4 Zr3 -","- N4 Zr3 -","- N16 Zr12 -","4","0.0833333","","Zerr, A.; Miehe, G.; Riedel, R.","Synthesis of cubic zirconium and hafnium nitride having Th~3~P~4~ structure","Nature Materials","2003","2","3","185","189","10.1038/nmat836","","","","","","","","","","","","","","","","","","","","","has coordinates","174861","2020-10-21","18:00:00",""
"1534183","3.864","","3.864","","41.75999","","90","","90","","90","","623.497","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ba Bi4 Ti4 O15","","- Ba Bi4 O15 Ti4 -","- Ba Bi4 O15 Ti4 -","- Ba2 Bi8 O30 Ti8 -","2","0.0625","","Aurivillius, B.","Mixed oxides with layer lattice. III. Structure of Ba Bi4 Ti 4 O15","Arkiv foer Kemi","1950","2","","519","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534339","5.87","","5.87","","5.494","","90","","90","","90","","189.306","","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","Pb2 Cu (O H)4 Cl2","","- Cl2 Cu H4 O4 Pb2 -","- Cl2 Cu O4 Pb2 -","- Cl2 Cu O4 Pb2 -","1","0.125","","Bystroem, A.; Wilhelmi, K.A.","The crystal structure of diaboleite, Pb2 Cu (O H)4 Cl2","Arkiv foer Kemi","1950","2","","397","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534693","10.95","","10.95","","10.95","","90","","90","","90","","1312.93","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Mn Yb2 S3.8","","- Mn S3.8 Yb2 -","- Mn S3.8 Yb2 -","- Mn8 S30.4 Yb16 -","8","0.0416667","","Longo, J.M.; Raccah, P.M.","Magnetic and structural study of the spinel Mn Yb2 S4","Materials Research Bulletin","1967","2","","541","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534814","19.652","","19.652","","5.018","","90","","90","","120","","1678.32","","","","","","","","","","","","","5","P 6 m m","P 6 -2","183","","(Ni3 (H3 O) (P O4)2.33) (H F) (H2 O)2.33","","- F H8.66 Ni3 O12.65 P2.33 -","- F Ni3 O12.6667 P2.33333 -","- F6 Ni18 O76 P14 -","6","0.5","","Guillou, N.; Gao, Q.-M.; Nogues, M.; Cheetham, A.K.; Hervieu, M.; Morris, R.E.; Ferey, G.","Zeolitic and magnetic properties of a 24-membered ring porous nickel(II) phosphate, VSB-1","C.R. Acad. Sci. Paris, T. 1, Serie II","1999","2","","387","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534890","16.75","","4.03","","14.45","","90","","96","","90","","970.068","","","","","","","","","","","","","2","P 1 2/a 1","-P 2ya","13","","","","- Mo9 O26 -","- Mo9 O26 -","- Mo18 O52 -","2","0.5","","Magneli, A.","The crystal structures of Mo9 O26 (beta'-molybdenum oxide ) and Mo8 O23 (beta-molybdenum oxide)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1948","2","","501","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535330","5.293","","5.293","","7.79","","90","","90","","120","","189.004","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Ba (Al Si O4)2","","- Al2 Ba O8 Si2 -","- Al2 Ba O8 Si2 -","- Al2 Ba O8 Si2 -","1","0.0416667","","Takeuchi, Y.","A detailed investigation of the structure of hexagonal Ba Al2 Si2 O8 with reference to its alpha-beta inversion","Mineralogical Journal (Japan)","1958","2","","311","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536851","4.293","","4.293","","4.293","","90","","90","","90","","79.119","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Ti O","","- O Ti -","- O Ti -","- O4 Ti4 -","4","0.0208333","","Yu, T.-H.; Lin, S.-J.; Chao, P.; Fang, C.-S.; Huang, C.-S.","A preliminary study of some new minerals of the platinum-group and another associated new one in platinum-bearing intrusions in a region of China","Acta Geologica Sinica","1974","2","","202","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537503","4.15","","4.15","","39.18999","","90","","90","","120","","584.524","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Bi4 S2.76 Se0.24 -","- Bi4 S2.76 Se0.24 -","- Bi12 S8.28 Se0.72 -","3","0.0833333","","Kato, A.","Ikunolite, a new Bismuth Mineral from the Ikuno Mine, Japan","Mineralogical Journal (Japan)","1959","2","","397","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537596","11.733","","6.04","","7.059","","90","","90","","90","","500.252","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Th (O H)2 S O4","","- H2 O6 S Th -","- O6 S Th -","- O24 S4 Th4 -","4","0.5","","Lundgren, G.","The crystal structure of Th (O H)2 S O4","Arkiv foer Kemi","1950","2","","535","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537650","2.746","","2.746","","4.391","","90","","90","","120","","28.674","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mo2 Rh3)0.4","","- Mo0.8 Rh1.2 -","- Mo0.824 Rh1.176 -","- Mo0.824 Rh1.176 -","1","0.0416667","","Anderson, E.; Hume-Rothery, W.","The equilibrium diagram of the system molybdenum-rhodium","Journal of the Less-Common Metals","1960","2","","19","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","165950","2020-10-21","18:00:00",""
"1537651","2.7478","","2.7478","","4.4103","","90","","90","","120","","28.838","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mo2 Ru3)0.4","","- Mo0.8 Ru1.2 -","- Mo0.828 Ru1.172 -","- Mo0.828 Ru1.172 -","1","0.0416667","","Anderson, E.; Hume-Rothery, W.","The equilibrium diagram of the system molybdenum-ruthenium","Journal of the Less-Common Metals","1960","2","","443","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","165951","2020-10-21","18:00:00",""
"1537771","6.11","","6.11","","6.11","","90","","90","","90","","228.099","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sm2 (S0.9 Sb1.1)","","- S0.9 Sb1.1 Sm2 -","- S0.9 Sb1.1 Sm2 -","- S1.8 Sb2.2 Sm4 -","2","0.0104167","","Beeken, R.B.; Graham, R.L.; Cater, E.D.; Henry, D.C.; Sisson, K.J.; Savage, W.R.; Schweitzer, J.W.","Magnetic susceptibilities of Sm P, Sm As, Sm Sb, Sm Bi, and their solid solutions with Sm S","Rare Earths in Modern Science and Technology","1980","2","","415","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","166099","2020-10-21","18:00:00",""
"1537773","5.7","","5.7","","5.7","","90","","90","","90","","185.193","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sm S","","- S Sm -","- S Sm -","- S4 Sm4 -","4","0.0208333","","Beeken, R.B.; Cater, E.D.; Graham, R.L.; Henry, D.C.; Savage, W.R.; Sisson, K.J.; Schweitzer, J.W.","Magnetic susceptibilities of Sm P, Sm As, Sm Sb, Sm Bi, and their solid solutions with Sm S","Rare Earths in Modern Science and Technology","1980","2","","415","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537812","5.32","","5.32","","5.32","","90","","90","","90","","150.569","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Lu S -","- Lu S -","- Lu4 S4 -","4","0.0208333","","Drafall, L.E.; McCarthy, G.J.; Sipe, C.A.; White, W.B.","On the preparation and X-ray powder data of rare earth sulfides and oxysulfides","Proc. Rare Earth Res. Conf., 11th","1974","2","","954","959","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537816","8.77","","8.77","","8.77","","90","","90","","90","","674.526","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Sm2.667 Se4","","- Se4 Sm2.667 -","- Se4 Sm2.667 -","- Se16 Sm10.668 -","4","0.0833333","","Dudnik, E.M.; Lashkarev, G.V.; Paderno, Y.B.; Obolonchik, V.A.","Thermal expansion of the chalcogenides of rare earth metals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","833","836","","","","","","","","","","","","","","","","","","","","","","has coordinates","166159","2020-10-21","18:00:00",""
"1537817","3.997","","3.997","","9.577","","90","","90","","90","","153.002","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ni2 Sm Si2","","- Ni2 Si2 Sm -","- Ni2 Si2 Sm -","- Ni4 Si4 Sm2 -","2","0.0625","","Bodak, O.I.; Gladyshevskii, E.I.; Kripyakevich, P.I.","Crystal structure of the compound Ce Ni2 S2 and isostructural compounds in related systems","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1861","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537818","8.85","","8.85","","8.85","","90","","90","","90","","693.154","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Nd2.667 Se4 -","- Nd2.667 Se4 -","- Nd10.668 Se16 -","4","0.0833333","","Dudnik, E.M.; Lashkarev, G.V.; Paderno, Y.B.; Obolonchik, V.A.","Thermal expansion of the chalcogenides of rare earth metals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","833","836","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537819","3.952","","3.952","","9.542","","90","","90","","90","","149.03","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ni2 Tb Si2","","- Ni2 Si2 Tb -","- Ni2 Si2 Tb -","- Ni4 Si4 Tb2 -","2","0.0625","","Bodak, O.I.; Gladyshevskii, E.I.; Kripyakevich, P.I.","Crystal structure of the compound Ce Ni2 S2 and isostructural compounds in related systems","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1861","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537820","3.914","","3.914","","9.516","","90","","90","","90","","145.779","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ni2 Tm Si2","","- Ni2 Si2 Tm -","- Ni2 Si2 Tm -","- Ni4 Si4 Tm2 -","2","0.0625","","Bodak, O.I.; Kripyakevich, P.I.; Gladyshevskii, E.I.","Crystal structure of the compound Ce Ni2 S2 and isostructural compounds in related systems","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1861","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537821","3.9","","3.9","","9.513","","90","","90","","90","","144.693","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ni2 Yb Si2","","- Ni2 Si2 Yb -","- Ni2 Si2 Yb -","- Ni4 Si4 Yb2 -","2","0.0625","","Bodak, O.I.; Gladyshevskii, E.I.; Kripyakevich, P.I.","Crystal structure of the compound Ce Ni2 S2 and isostructural compounds in related systems","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1861","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537823","3.938","","3.938","","9.527","","90","","90","","90","","147.743","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ho Ni2 Si2 -","- Ho Ni2 Si2 -","- Ho2 Ni4 Si4 -","2","0.0625","","Bodak, O.I.; Gladyshevskii, E.I.; Kripyakevich, P.I.","Crystal structure of the compound Ce Ni2 S2 and isostructural compounds in related systems","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1861","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537825","4.103","","4.103","","9.698","","90","","90","","90","","163.262","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- La Ni2 Si2 -","- La Ni2 Si2 -","- La2 Ni4 Si4 -","2","0.0625","","Bodak, O.I.; Gladyshevskii, E.I.; Kripyakevich, P.I.","Crystal structure of the compound Ce Ni2 S2 and isostructural compounds in related systems","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1861","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537827","3.905","","3.905","","9.495","","90","","90","","90","","144.789","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Lu Ni2 Si2 -","- Lu Ni2 Si2 -","- Lu2 Ni4 Si4 -","2","0.0625","","Bodak, O.I.; Gladyshevskii, E.I.; Kripyakevich, P.I.","Crystal structure of the compound Ce Ni2 S2 and isostructural compounds in related systems","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1861","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537828","4.022","","4.022","","9.598","","90","","90","","90","","155.262","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Nd Ni2 Si2 -","- Nd Ni2 Si2 -","- Nd2 Ni4 Si4 -","2","0.0625","","Bodak, O.I.; Gladyshevskii, E.I.; Kripyakevich, P.I.","Crystal structure of the compound Ce Ni2 S2 and isostructural compounds in related systems","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1861","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537829","6.327","","6.327","","6.327","","90","","90","","90","","253.276","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ni Sb Tb -","- Ni Sb Tb -","- Ni4 Sb4 Tb4 -","4","0.0416667","","Dwight, A.E.","The crystal structure of Dy Ni Sb, Dy Pt Sb and related compounds","Proc. Rare Earth Res. Conf., 11th","1974","2","","642","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537830","4.043","","4.043","","9.619","","90","","90","","90","","157.231","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ni2 Pr Si2 -","- Ni2 Pr Si2 -","- Ni4 Pr2 Si4 -","2","0.0625","","Bodak, O.I.; Gladyshevskii, E.I.; Kripyakevich, P.I.","Crystal structure of the compound Ce Ni2 S2 and isostructural compounds in related systems","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1861","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537831","6.516","","6.516","","6.516","","90","","90","","90","","276.658","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Pt Sb Y -","- Pt Sb Y -","- Pt4 Sb4 Y4 -","4","0.0416667","","Dwight, A.E.","The crystal structure of Dy Ni Sb, Dy Pt Sb and related compounds","Proc. Rare Earth Res. Conf., 11th","1974","2","","642","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537832","6.29","","6.29","","6.29","","90","","90","","90","","248.858","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ho Ni Sb -","- Ho Ni Sb -","- Ho4 Ni4 Sb4 -","4","0.0416667","","Dwight, A.E.","The crystal structure of Dy Ni Sb, Dy Pt Sb and related compounds","Proc. Rare Earth Res. Conf., 11th","1974","2","","642","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537833","6.219","","6.219","","6.219","","90","","90","","90","","240.526","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Lu Ni Sb -","- Lu Ni Sb -","- Lu4 Ni4 Sb4 -","4","0.0416667","","Dwight, A.E.","The crystal structure of Dy Ni Sb, Dy Pt Sb and related compounds","Proc. Rare Earth Res. Conf., 11th","1974","2","","642","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538047","4.1065","","4.1065","","4.1065","","90","","90","","90","","69.249","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Sm -","- Pd3 Sm -","- Pd3 Sm -","1","0.0208333","","Gardner, W.E.; Harris, I.R.; Penfold, J.; Smith, T.F.","The magnetic properties of rare earth - Pd3 phases","Journal of Physics F","1972","2","","133","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538158","5.944","","5.944","","5.944","","90","","90","","90","","210.008","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pr Se -","- Pr Se -","- Pr4 Se4 -","4","0.0208333","","Golubkov, A.V.; Zhukova, T.B.; Sergeeva, V.M.","Synthesis of chalcogenides of rare-earth elements","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","66","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538161","6.429","","6.429","","6.429","","90","","90","","90","","265.724","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La Te -","- La Te -","- La4 Te4 -","4","0.0208333","","Golubkov, A.V.; Zhukova, T.B.; Sergeeva, V.M.","Synthesis of chalcogenides of rare-earth elements","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","66","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538164","6.282","","6.282","","6.282","","90","","90","","90","","247.91","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd Te -","- Nd Te -","- Nd4 Te4 -","4","0.0208333","","Golubkov, A.V.; Zhukova, T.B.; Sergeeva, V.M.","Synthesis of chalcogenides of rare-earth elements","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","66","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538180","3.252","","3.252","","4.944","","90","","90","","90","","52.285","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","(In13 Mg7)0.1","","- In1.3 Mg0.7 -","- In1.3 Mg0.7 -","- In1.3 Mg0.7 -","1","0.03125","","Graham, J.; Raynor, G.V.","Indium-rich indium-magnesium and indium-lithium alloys","Philosophical Magazine, Serie 6 (1901-1925)","1957","2","","1354","1363","","","","","","","","","","","","","","","","","","","","","","has coordinates","166612","2020-10-21","18:00:00",""
"1538212","4.9353","","4.9353","","4.9353","","90","","90","","90","","120.21","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pr3 Tl -","- Pr3 Tl -","- Pr3 Tl -","1","0.0208333","","Griffin, R.B.; Gschneidner, K.A.jr.","Effect of the sixth period elements on the melting and transformation temperature of praseodymium: Part I: Experimental","Metallurgical Transactions","1971","2","","2517","2524","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538359","5.103","","5.103","","13.755","","90","","90","","120","","310.2","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Ni3 (Te O6)","","- Ni3 O6 Te -","- Ni3 O6 Te -","- Ni9 O18 Te3 -","3","0.333333","","Newnham, R.E.; Meagher, E.P.","Crystal structure of Ni3 Te O6","Materials Research Bulletin","1967","2","","549","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538360","3.84","","3.84","","40.75","","90","","90","","90","","600.883","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Na.5 Bi4.5 Ti4 O15","","- Bi4.5 Na0.5 O15 Ti4 -","- Bi4.5 Na0.5 O15 Ti4 -","- Bi9 Na O30 Ti8 -","2","0.0625","","Newnham, R.E.","Cation ordering in Na.5 Bi4.5 Ti4 O15","Materials Research Bulletin","1967","2","","1041","1044","","","","","","","","","","","","","","","","","","","","","","has coordinates","166866","2020-10-21","18:00:00",""
"1538681","6.762","","6.762","","6.762","","90","","90","","90","","309.19","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Mg2 Sn -","- Mg2 Sn -","- Mg16 Sn8 -","8","0.0416667","","Makarov, E.S.; Muntyanu, Sh.; Sokolov, E.B.; Slesareva, G.A.","Study of the Mg Sn - Mg2 Ge system","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1830","1833","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538739","4.9194","","4.9194","","4.9194","","90","","90","","90","","119.052","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pb3 Tl2)0.8","","- Pb2.4 Tl1.6 -","- Pb2.4 Tl1.6 -","- Pb2.4 Tl1.6 -","1","0.00520833","","Ng, S.C.; Brockhouse, B.N.; Hallman, E.D.","Characterization of large alloy single crystals by neutron diffraction","Materials Research Bulletin","1967","2","","69","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","167420","2020-10-21","18:00:00",""
"1539023","3.2127","","3.2127","","2.9916","","90","","90","","120","","26.741","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","(Hg Sn13)0.07","","- Hg0.072 Sn0.928 -","- Hg0.072 Sn0.928 -","- Hg0.072 Sn0.928 -","1","0.0416667","","Raynor, G.V.; Lee, J.A.","The tin-rich intermediate phases in the alloys of tin with cadmium, indium and mercury","Acta Metallurgica","1954","2","","616","620","","","","","","","","","","","","","","","","","","","","","","has coordinates","167749","2020-10-21","18:00:00",""
"1539025","3.2415","","3.2415","","3.0066","","90","","90","","120","","27.359","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","(Hg Sn12)0.077","","- Hg0.077 Sn0.924 -","- Hg0.077 Sn0.923 -","- Hg0.077 Sn0.923 -","1","0.0416667","","Raynor, G.V.; Lee, J.A.","The tin-rich intermediate phases in the alloys of tin with cadmium, indium and mercury","Acta Metallurgica","1954","2","","616","620","","","","","","","","","","","","","","","","","","","","","","has coordinates","167751","2020-10-21","18:00:00",""
"1539068","2.904","","2.904","","2.904","","90","","90","","90","","24.49","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Ni V -","- Ni0.94 V1.06 -","- Ni0.94 V1.06 -","1","0.0104167","","Ruhl, R.C.; Giessen, B.C.; Cohen, M.; Grant, N.J.","Metastable b.c.c. phases in the V - Ni and Ni - In systems","Materials Science and Engineering","1967","2","","314","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539184","6.369","","6.369","","6.369","","90","","90","","90","","258.353","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Os Te2 -","- Os Te2 -","- Os4 Te8 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539191","4.028","","4.028","","5.118","","90","","90","","120","","71.913","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pd Te2 -","- Pd Te2 -","- Pd Te2 -","1","0.0833333","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539194","6.441","","6.441","","6.441","","90","","90","","90","","267.214","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Pt Sb2 -","- Pt Sb2 -","- Pt4 Sb8 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539198","3.731","","3.731","","5.072","","90","","90","","120","","61.145","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt Se2 -","- Pt Se2 -","- Pt Se2 -","1","0.0833333","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539201","4.018","","4.018","","5.212","","90","","90","","120","","72.871","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt Te2 -","- Pt Te2 -","- Pt Te2 -","1","0.0833333","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539207","5.921","","5.921","","5.921","","90","","90","","90","","207.58","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ru Se2 -","- Ru Se2 -","- Ru4 Se8 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539209","6.36","","6.36","","6.36","","90","","90","","90","","257.259","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ru Te2 -","- Ru Te2 -","- Ru4 Te8 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539252","6.393","","6.393","","6.393","","90","","90","","90","","261.285","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Pb Sn Te2 -","- Pb Sn Te2 -","- Pb2 Sn2 Te4 -","2","0.0104167","","Wagner, John W.; Woolley, J.C.","Phase studies of the Pb1-x Snx Te alloys","Materials Research Bulletin","1967","2","","1055","1062","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539262","2.94","","2.94","","2.79","","90","","90","","120","","20.885","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","Nb N","","- N Nb -","- N Nb -","- N Nb -","1","0.0833333","","Schoenberg, N.","The tungsten carbide and nickel arsenide structures","Acta Metallurgica","1954","2","","427","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539264","2.89","","2.89","","2.83","","90","","90","","120","","20.47","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","W N","","- N W -","- N W -","- N W -","1","0.0833333","","Schoenberg, N.","The tungsten carbide and nickel arsenide structures","Acta Metallurgica","1954","2","","427","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539266","3.32","","3.32","","6.46","","90","","90","","120","","61.665","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Nb S -","- Nb S -","- Nb2 S2 -","2","0.0833333","","Schoenberg, N.","The tungsten carbide and nickel arsenide structures","Acta Metallurgica","1954","2","","427","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539316","6.179","","6.179","","6.179","","90","","90","","90","","235.914","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Nb Ni2 Sn -","- Nb Ni2 Sn -","- Nb4 Ni8 Sn4 -","4","0.0208333","","Wernick, J.H.; Hull, G.W.; Bernardini, J.E.; Geballe, T.H.; Waszczak, J.V.","Superconductivity in ternary Heusler intermetallic compounds","Materials Letters","1983","2","","90","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539377","8.881","","8.881","","8.881","","90","","90","","90","","700.464","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Pr3 Se4 -","- Pr3 Se4 -","- Pr12 Se16 -","4","0.0833333","","Yarembash, E.I.; Kalitin, V.I.; Eliseev, A.A.; Antonova, L.I.","X-ray study of the selenides of praseodymium","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","837","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539413","19.063","","5.5827","","12.1147","","90","","118.94","","90","","1128.29","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cs Mo3.868 O12 -","- Cs Mo3.87 O12 -","- Cs4 Mo15.48 O48 -","4","0.5","","Abrahams, S.C.; Marsh, P.; Rice, C.E.; Schneemeyer, L.F.; Spengler, S.E.","Semiconducting Cs Mo4-x O12 (x=.13): Room temperature crystal structure and resistivity anisotropy of a new alkali molybdenum bronze","Journal of Materials Research","1987","2","","82","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539503","6.262","","6.262","","6.262","","90","","90","","90","","245.55","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd Te -","- Nd Te -","- Nd4 Te4 -","4","0.0208333","","Zinchenko, K.A.; Eliseev, A.A.; Yarembash, E.I.; Luzhnaya, N.P.","Phase diagram of the Nd-Te system and the properties of the phases","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1506","1514","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539507","9.43","","9.43","","9.43","","90","","90","","90","","838.562","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Nd3 Te4 -","- Nd3 Te4 -","- Nd12 Te16 -","4","0.0833333","","Zinchenko, K.A.; Luzhnaya, N.P.; Yarembash, E.I.; Eliseev, A.A.","Phase diagram of the Nd-Te system and the properties of the phases","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1966","2","","1506","1514","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539520","4.1972","","4.1972","","9.6906","","90","","90","","90","","170.714","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pt2 U Si2","","- Pt2 Si2 U -","- Pt2 Si2 U -","- Pt4 Si4 U2 -","2","0.125","","Steeman, R.A.; Frikkee, E.; Mentink, S.A.M.; Mydosh, J.A.; Menovsky, A.A.; Nieuwenhuys, G.J.","Hybridization effects in U Pt2 Si2","Journal of Physics: Condensed Matter","1990","2","","4059","4066","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539525","5.166","","5.166","","5.166","","90","","90","","90","","137.868","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sc S","","- S Sc -","- S Sc -","- S4 Sc4 -","4","0.0208333","","Steiger, R.P.; Cater, E.D.","The preparation and identification of the Zr S phase in the zirconium-sulfur system","High Temperature Science","1970","2","","398","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539528","5.4873","","5.4873","","5.4873","","90","","90","","90","","165.225","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Y S","","- S Y -","- S Y -","- S4 Y4 -","4","0.0208333","","Steiger, R.P.; Cater, E.D.","The preparation and identification of the Zr S phase in the zirconium-sulfur system","High Temperature Science","1970","2","","398","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539531","5.854","","5.854","","5.854","","90","","90","","90","","200.613","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La S -","- La S -","- La4 S4 -","4","0.0208333","","Steiger, R.P.; Cater, E.D.","The preparation and identification of the Zr S phase in the zirconium-sulfur system","High Temperature Science","1970","2","","398","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539545","5.673","","5.673","","10.92","","90","","90","","90","","351.438","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Sr Cr F4","","- Cr F4 Sr -","- Cr F4 Sr -","- Cr4 F16 Sr4 -","4","0.25","","von der Muehll, R.; Ravez, J.; Dumora, D.; Hagenmuller, P.","Deux Nouvelles Structures Difluorine et Trifluorine","Journal of Solid State Chemistry","1970","2","","262","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539548","5.71","","5.71","","16.458","","90","","90","","90","","536.598","","","","","","","","","","","","","3","P -4 b 2","P -4 -2ab","117","","Sr2 Cu F6","","- Cu F6 Sr2 -","- Cu F6 Sr2 -","- Cu4 F24 Sr8 -","4","0.5","","von der Muehll, R.; Dumora, D.; Ravez, J.; Hagenmuller, P.","Deux Nouvelles Structures Difluorine et Trifluorine","Journal of Solid State Chemistry","1970","2","","262","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539652","3.802","","12.297","","3.296","","90","","90","","90","","154.099","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","(Sr0.45 Ca0.55)2 (Bi0.18 Cu0.82) O2.976","","- Bi0.18 Ca1.1 Cu0.82 O2.976 Sr0.9 -","- Bi0.18 Ca1.1 Cu0.82 O3 Sr0.9 -","- Bi0.36 Ca2.2 Cu1.64 O6 Sr1.8 -","2","0.125","","Belokoneva, E.L.; Leonyuk, L.I.; Urusov, V.S.; Leonyuk, N.I.","Synthesis of (Sr0.45 Ca0.55)2 (Cu0.82 Bi0.18) O2.976 single crystals and structure of new phase","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1989","2","","29","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","168630","2020-10-21","18:00:00",""
"1539656","5.49","","28.02","","24.84","","90","","90","","90","","3821.13","","","","","","","","","","","","","5","C m c m (c,a,b)","-C 2c 2 (z,x,y)","63","","Bi2 (Sr1.401 Ca.2 Bi.149) Cu O6","","- Bi2.14908 Ca0.2 Cu O4 Sr1.40148 -","- Bi2.14908 Ca0.2 Cu O4 Sr1.40148 -","- Bi42.9816 Ca4 Cu20 O80 Sr28.0296 -","20","","","Belokoneva, E.L.; Urusov, V.S.; Leonyuk, L.I.; Leonyuk, N.I.","Polytype relations in a series of bismuth and thallium compounds","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1989","2","","106","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539770","8.6","","5.002","","7.255","","90","","140.17","","90","","199.897","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","V2 O3","","- O3 V2 -","- O3 V2 -","- O12 V8 -","4","0.5","","Dernier, P.D.; Marezio, M.","Crystal structure of the low-temperature antiferromagnetic phase of V2 O3","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1970","2","","3771","3776","","","","","","","","","","","","","","","","","","","","","","has coordinates","168793","2020-10-21","18:00:00",""
"1539814","3.632","","3.632","","5.8014","","90","","90","","120","","66.276","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Th3 Y7)0.2","","- Th0.626 Y1.374 -","- Th0.626 Y1.374 -","- Th0.626 Y1.374 -","1","0.0416667","","Evans, D.S.; Raynor, G.V.","Lattice spacings in thorium - yttrium alloys","Journal of Nuclear Materials","1960","2","","209","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","168865","2020-10-21","18:00:00",""
"1539818","3.6515","","3.6515","","5.7474","","90","","90","","120","","66.366","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Y -","- Y -","- Y2 -","2","0.0833333","","Evans, D.S.; Raynor, G.V.","Lattice spacings in thorium - yttrium alloys","Journal of Nuclear Materials","1960","2","","209","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539943","10.95","","10.95","","10.3","","90","","90","","120","","1069.54","","","","","","","","","","","","","6","P 63","P 6c","173","","Ca3 H2 (Si O4) (C O3) (S O4) (H2 O)13","","- C H28 Ca3 O24 S Si -","- C Ca3 O24 S Si -","- C2 Ca6 O48 S2 Si2 -","2","0.333333","","Welin, E.","The crystal structure of thaumasite Ca3 H2 (C O3 S O4) Si O4 (H2 O)13","Arkiv foer Mineralogi och Geologi","1957","2","","137","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540064","8.809","","8.809","","22.929","","90","","90","","120","","1540.88","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na1.1 Zr2 P2.89 Si.11 O12","","- Na1.1 O12 P2.89 Si0.11 Zr2 -","- Na1.144 O12 P2.889 Si0.111 Zr2 -","- Na6.864 O72 P17.334 Si0.666 Zr12 -","6","0.166667","","Hazen, R.M.; Finger, L.W.; Agrawal, D.K.; Perrotta, J.; McKinstry, H.A.","High-temperature crystal chemistry of sodium zirconium phosphate (NZP)","Journal of Materials Research","1987","2","","329","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","169230","2020-10-21","18:00:00",""
"1540215","35.1869","","17.6202","","7.9876","","90","","90","","90","","4952.31","","","","","","","","","","","","","4","B b m 2","B 2 -2b","40","","Ba4 Na2 (Nb10 O30)","","- Ba4 Na2 Nb10 O30 -","- Ba4 Na2 Nb10 O30 -","- Ba32 Na16 Nb80 O240 -","8","1","","Labbe, P.; Raveau, B.; Leligny, H.; Toledano, J.C.; Schneck, J.","X-ray structural determination of the quasi-commensurate phase of barium sodium niobate","Journal of Physics: Condensed Matter","1990","2","","25","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","208256","2020-10-21","18:00:00",""
"1540755","18.5","","18.5","","18.5","","90","","90","","90","","6331.62","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- In2 Te3 -","- In2 Te3 -","- In72 Te108 -","36","0.375","","Zaslavskii, A.I.; Sergeeva, V.M.; Smirnov, A.I.","The polymorphism of In2 Te3","Soviet Physics - Solid State (New York)","1960","2","","2556","2561","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541043","4.127","","4.127","","5.663","","90","","90","","120","","83.531","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pd Te -","- Pd Te -","- Pd2 Te2 -","2","0.0833333","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541044","3.537","","3.537","","5.019","","90","","90","","120","","54.377","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt S2 -","- Pt S2 -","- Pt S2 -","1","0.0833333","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541181","8.286","","8.286","","8.286","","90","","90","","90","","568.898","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","Mg4 P6 (S N12)","","- Mg4 N12 P6 S -","- Mg4 N12 P6 S -","- Mg8 N24 P12 S2 -","2","0.0416667","","Ronis, Ya.V.; Tsirkunova, S.E.; Miller, T.N.; Kozlov, E.N.; Vitola, A.A.; Bondars, B.Ya.","Neutron diffraction study of magnesium phosphorus thionitride","Latvijas PSR Zinatnu Akademijas Vestis, Khimijas Serija","1989","2","","145","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541187","13.4","","4.04","","16.8","","90","","106.1","","90","","873.814","","","","","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- Mo8 O23 -","- Mo8 O23 -","- Mo16 O46 -","2","0.5","","Magneli, A.","The crystal structures of Mo9 O26 (beta'-molybdenum oxide) and Mo8 O23 (beta - molybdenum oxide)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1948","2","","501","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541284","3.71","","3.71","","3.71","","90","","90","","90","","51.065","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Th Zr3)0.5","","- Th0.5 Zr1.5 -","- Th0.5 Zr1.5 -","- Th0.5 Zr1.5 -","1","0.0104167","","Murray, J.R.","The constitution of thorium-zirconium alloys containing more than 15 percent zirconium and the effect of some third elements on the stability of the body-centred-cubic phase in these alloys","Journal of the Less-Common Metals","1960","2","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","172575","2020-10-21","18:00:00",""
"1541361","4.976","","8.468","","7.212","","90.04","","90","","90","","303.89","","","","","","","","","","","","","5","P m 1 1","P -2x","6","","(Ca1.26 Ce2.74) (C O3)4 (O H)3 (H2 O)","","- C4 H5 Ca1.26 Ce2.74 O16 -","- C4 Ca1.263 Ce2.737 O16 -","- C4 Ca1.263 Ce2.737 O16 -","1","0.5","","Orlandi, P.; Pasero, M.; Vezzalini, G.","Calcio-ancylite-(Nd), a new REE-carbonate from Baveno, Italy","European Journal of Mineralogy (1,1989-)","1990","2","","413","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541706","7.169","","8.696","","11.884","","74.47","","96.54","","102.32","","696.111","","","","","","","","","","","","","4","P -1","-P 1","2","","Yb (Re O4)3 (H2 O)4","","- H8 O16 Re3 Yb -","- O16 Re3 Yb -","- O32 Re6 Yb2 -","2","1","","Bakhareva, E.D.; Varfolomeev, M.B.; Ilyukhin, V.V.","Building and Certain Characteristics of Heavy Rare Earth Perrhenates Ln (Re O4)3 (H2 O)4 (Ln = Ho-Lu, Y)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1976","2","","1135","1141","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541747","9.57","","17.3","","6.98","","90","","90","","90","","1155.62","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Al3 (P O4)2 (O H)3 (H2 O)6","","- Al3 H15 O17 P2 -","- Al3 O17 P2 -","- Al12 O68 P8 -","4","1","","Fu, P.Q.","The crystal structure of wavellite","Ti Chih Ko Hsueh (= Scientia Geologica Sinica)","1966","2","","116","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541959","11.921","","9.114","","6.343","","90","","90","","124.04","","571.066","","","","","","","","","","","","","5","B 1 1 2/b","-B 2b","15","","Rb (V F4) (H2 O)2","","- F4 H4 O2 Rb V -","- F4 H4 O2 Rb V -","- F16 H16 O8 Rb4 V4 -","4","0.5","","Bukvetskii, B.V.; Muradyan, L.A.; Davidovich, R.L.; Simonov, V.I.","Crystal structure of rubidium tetrafluorovanadate dihydrate Rb V F4 (H2 O)2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1976","2","","1129","1134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542019","10.039","","3.605","","15.335","","90","","109.2","","90","","524.113","","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","K0.33 (V2 O5)","","- K0.333333 O4.66667 V2 -","- K0.333333 O4.66667 V2 -","- K2 O28 V12 -","6","0.75","","Ozerov, R.P.; Zhdanov, G.S.; Gol'der, G.A.","X-ray diffraction study of sodium and potassium oxygen vanadium bronzes Me.33 V2 O5","Kristallografiya","1957","2","","217","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1542021","10.039","","3.605","","15.335","","90","","109.2","","90","","524.113","","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","Na0.33 (V2 O5)","","- Na0.333333 O4.66667 V2 -","- Na0.333333 O4.66667 V2 -","- Na2 O28 V12 -","6","0.75","","Ozerov, R.P.; Gol'der, G.A.; Zhdanov, G.S.","X-ray diffraction study of sodium and potassium oxygen vanadium bronzes Me.33 V2 O5","Kristallografiya","1957","2","","217","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1542032","3.926","","3.926","","3.926","","90","","90","","90","","60.513","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","La (Fe O3)","","- Fe La O3 -","- Fe La O3 -","- Fe La O3 -","1","0.0208333","","Koehler, W.C.; Wollan, E.O.","Neutron-diffraction study of the magnetic properties of perovskite- like compounds La B O3","Journal of Physics and Chemistry of Solids","1957","2","","100","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542140","3.996","","3.996","","3.996","","90","","90","","90","","63.808","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ba Ti O3","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.0208333","","Miyake, S.; Ueda, R.","On Phase Transformation of Ba Ti O3","Journal of the Physical Society of Japan","1947","2","","93","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542175","11.48","","7.44","","10.75","","90","","101.25","","90","","900.528","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(Ru (N H3)4 (N O) (O H)) Cl2","","- Cl2 H13 N5 O2 Ru -","- Cl2 H13 N5 O2 Ru -","- Cl8 H52 N20 O8 Ru4 -","4","1","","Bokii, G.B.; Parpiev, N.A.","X-ray structural analysis of crystals of Ru (N H3)4 (N O) (O H) Cl2","Kristallografiya","1957","2","","691","693","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542177","8.023","","17.271","","7.353","","90","","90","","90","","1018.87","","","","","","","","","","","","","5","A m a m","-A 2 2a","63","","Cs2 (Rh Cl5 (H2 O))","","- Cl5 Cs2 H2 O Rh -","- Cl5 Cs2 O Rh -","- Cl20 Cs8 O4 Rh4 -","4","0.25","","Thomas, C.K.; Stanko, J.A.","The crystal structure of cesium aquopentachlororhodate(II)","Journal of Coordination Chemistry","1973","2","","231","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542771","19.0673","0.0006","9.8391","0.0002","20.5654","0.0006","90","","117.58","0.004","90","","3419.8","0.2","10","5","10","5","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 B Cl F4 N2 O2 P2 Ru -","- C36 H30 B Cl F4 N2 O2 P2 Ru -","- C144 H120 B4 Cl4 F16 N8 O8 P8 Ru4 -","4","1","YC5003","Casaretto, Nicolas; Pillet, Sebastien; Bendeif, El Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo","Multiple light-induced NO linkage isomers in the dinitrosyl complex [RuCl(NO)~2~(PPh~3~)~2~]BF~4~ unravelled by photocrystallographic and IR analysis","IUCrJ","2015","2","1","35","44","10.1107/S2052252514023598","","","0.71073","MoKα","","0.0345","0.0275","","","0.0625","0.0663","","","","","","1.059","","","","has coordinates","178175","2020-10-21","18:00:00",""
"1542772","11.9247","0.0005","14.3066","0.0007","6.2444","0.0005","90","","90","","90","","1065.31","0.11","308","0.7","308","0.7","","","","","","","","5","P 21 21 2","P 2 2ab","18","Rochelle salt","Potassium sodium tartrate tetrahydrate","","- C4 H12 K Na O10 -","- C4 H12 K Na O10 -","- C16 H48 K4 Na4 O40 -","4","1","","Mo, Frode; Mathiesen, Ragnvald H.; Beukes, Jon Are; Vu, Khanh Minh","Rochelle salt ‒ a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308K","IUCrJ","2015","2","1","19","28","10.1107/S2052252514022155","","","0.60097","","","0.0371","0.0236","","","0.0579","0.0608","","","","","","0.997","","","","has coordinates","178176","2020-10-21","18:00:00",""
"1542773","10.6531","0.0007","11.2628","0.0007","14.4311","0.001","72.401","0.003","86.598","0.003","82.882","0.003","1637.3","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H40 Ag4 F28 N4 O8 -","- C61 H40 Ag4 F28 N4 O8 -","- C61 H40 Ag4 F28 N4 O8 -","1","0.5","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.0753","0.0649","","","0.1612","0.1673","","","","","","1.086","","","","has coordinates,has disorder","178177","2020-10-21","18:00:00",""
"1542774","11.1146","0.0003","22.7107","0.0008","13.2046","0.0004","90","","111.785","0.002","90","","3095.07","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Ag2 F14 N2 O4 -","- C28 H18 Ag2 F14 N2 O4 -","- C112 H72 Ag8 F56 N8 O16 -","4","1","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.0619","0.0407","","","0.1029","0.1217","","","","","","1.048","","","","has coordinates","178177","2020-10-21","18:00:00",""
"1542775","11.375","0.0006","22.5963","0.001","13.346","0.0007","90","","113.472","0.002","90","","3146.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Ag2 F14 N2 O4 -","- C28 H18 Ag2 F14 N2 O4 -","- C112 H72 Ag8 F56 N8 O16 -","4","1","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.0825","0.0744","","","0.1842","0.1887","","","","","","1.117","","","","has coordinates,has disorder","178177","2020-10-21","18:00:00",""
"1542776","27.578","0.003","9.267","0.001","21.211","0.002","90","","118.142","0.003","90","","4780","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H8 Ag2 F14 N2 O4 -","- C20 H8 Ag2 F14 N2 O4 -","- C160 H64 Ag16 F112 N16 O32 -","8","1","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.1218","0.0675","","","0.189","0.2299","","","","","","1.022","","","","has coordinates,has disorder","178177","2020-10-21","18:00:00",""
"1542777","10.782","0.003","11.006","0.004","12.54","0.004","71.569","0.004","76.089","0.004","62.229","0.004","1241.4","0.7","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H8 Ag2 F14 N2 O4 -","- C20 H8 Ag2 F14 N2 O4 -","- C40 H16 Ag4 F28 N4 O8 -","2","1","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.1211","0.0804","","","0.2224","0.272","","","","","","1.051","","","","has coordinates,has disorder","178177","2020-10-21","18:00:00",""
"1542778","10.6658","0.0015","11.2395","0.0014","14.325","0.002","72.054","0.002","86.608","0.003","83.149","0.003","1621.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62.275 H42.55 Ag4 F28 N4 O8 -","- C62.275 H42.55 Ag4 F28 N4 O8 -","- C62.275 H42.55 Ag4 F28 N4 O8 -","1","0.5","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.0997","0.0709","","","0.1833","0.2074","","","","","","1.0196","","","","has coordinates,has disorder","178177","2020-10-21","18:00:00",""
"1542779","24.843","0.002","12.245","0.0011","15.7202","0.0014","90","","109.498","0.0016","90","","4507.9","0.7","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0522","0.0371","","","0.0898","0.0981","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542780","24.746","0.002","12.2117","0.001","15.6525","0.0013","90","","109.192","0.001","90","","4467.2","0.6","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0433","0.0323","","","0.0845","0.0912","","","","","","1.046","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542781","24.817","0.013","12.241","0.007","15.714","0.008","90","","109.39","0.011","90","","4503","4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0708","0.0573","","","0.1533","0.1662","","","","","","1.052","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542782","24.638","0.002","12.1718","0.001","15.5632","0.0013","90","","108.782","0.001","90","","4418.7","0.6","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0522","0.0448","","","0.1154","0.1224","","","","","","1.057","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542783","24.525","0.002","12.1433","0.0011","15.4964","0.0014","90","","108.492","0.001","90","","4376.8","0.7","95","2","95","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0419","0.0372","","","0.0966","0.1012","","","","","","1.032","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542784","9.076","0.0013","8.9616","0.0013","22.501","0.003","90","","93.554","0.007","90","","1826.6","0.4","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C39 H46 N6 O7 -","- C39 H46 N6 O7 -","- C78 H92 N12 O14 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0824","0.0579","","","0.1202","0.1304","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542785","15.831","0.002","9.3122","0.0013","20.211","0.003","90","","104.415","0.007","90","","2885.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N4 O7 -","- C31 H34 N4 O7 -","- C124 H136 N16 O28 -","4","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1113","0.0628","","","0.1398","0.1626","","","","","","0.959","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542786","9.3506","0.0007","10.912","0.0008","13.002","0.001","76.798","0.005","84.048","0.006","81.58","0.006","1274.26","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N2 O9 -","- C27 H30 N2 O9 -","- C54 H60 N4 O18 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0684","0.0523","","","0.1426","0.1587","","","","","","0.929","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542787","9.3202","0.001","10.7538","0.0012","12.9869","0.0014","79.471","0.006","85.133","0.006","82.377","0.006","1266","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N2 O8 -","- C27 H30 N2 O8 -","- C54 H60 N4 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0913","0.0698","","","0.187","0.2016","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542788","9.8334","0.0007","10.7098","0.0008","13.079","0.0009","102.815","0.007","95.031","0.007","106.846","0.007","1268.3","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O9 -","- C29 H26 N2 O9 -","- C58 H52 N4 O18 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.045","0.04","","","0.1062","0.1097","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542789","9.806","0.002","10.778","0.002","13.055","0.003","102.833","0.007","94.525","0.007","106.943","0.007","1271.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 N2 O8 -","- C29 H18 N2 O8 -","- C58 H36 N4 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0952","0.0748","","","0.202","0.2137","","","","","","1.064","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542790","9.844","0.005","10.636","0.006","13.071","0.007","98.324","0.007","94.601","0.007","107.947","0.008","1276.9","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N3 O7 -","- C30 H22 N3 O7 -","- C60 H44 N6 O14 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0523","0.0427","","","0.108","0.1137","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542791","10.0222","0.0012","12.8756","0.0016","15.0597","0.0018","81.685","0.006","83.118","0.006","76.273","0.005","1860.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H36 N6 O8 -","- C45 H36 N6 O8 -","- C90 H72 N12 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0606","0.0452","","","0.1221","0.1343","","","","","","0.876","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542792","10.1899","0.0009","11.6532","0.0011","13.0214","0.0012","97.351","0.007","95.446","0.007","115.237","0.008","1367.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O9 -","- C31 H28 N2 O9 -","- C62 H56 N4 O18 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0773","0.0511","","","0.1199","0.1323","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542793","10.0381","0.0007","11.5707","0.0008","13.0194","0.0009","76.744","0.005","84.502","0.006","65.573","0.005","1340.13","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O8 -","- C31 H28 N2 O8 -","- C62 H56 N4 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0843","0.0566","","","0.1447","0.1618","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542794","9.9867","0.0015","11.2949","0.0017","13.04","0.002","79.558","0.006","85.192","0.006","66.082","0.005","1322.2","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N3 O8 -","- C30 H26 N3 O8 -","- C60 H52 N6 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1143","0.0634","","","0.1516","0.1776","","","","","","1.021","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542795","18.0656","0.0011","11.6584","0.0006","16.661","0.001","90","","115.565","0.002","90","","3165.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 N4 O7 -","- C39 H30 N4 O7 -","- C156 H120 N16 O28 -","4","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0621","0.0468","","","0.1089","0.1188","","","","","","1.039","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542796","21.831","0.005","12.904","0.003","15.876","0.004","90","","101.912","0.007","90","","4376.1","1.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O7 -","- C27 H20 N2 O7 -","- C216 H160 N16 O56 -","8","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0992","0.0545","","","0.1287","0.1497","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542797","9.8782","0.0008","11.5881","0.001","13.041","0.001","76.595","0.005","85.792","0.006","67.035","0.005","1336.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H30 N2 O8 -","- C31 H30 N2 O8 -","- C62 H60 N4 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0744","0.0544","","","0.1357","0.1479","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542798","20.028","0.003","10.5025","0.0013","16.5786","0.0018","90","","108.851","0.004","90","","3300.2","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N4 O7 -","- C39 H34 N4 O7 -","- C156 H136 N16 O28 -","4","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0689","0.045","","","0.1007","0.1133","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542799","13.3624","0.0004","10.554","0.0004","32.5542","0.001","90","","95.517","0.003","90","","4569.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O7 -","- C27 H22 N2 O7 -","- C216 H176 N16 O56 -","8","2","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0818","0.053","","","0.1268","0.1499","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542800","10.0918","0.0017","11.4244","0.0019","13.052","0.002","98.573","0.007","95.19","0.007","115.078","0.008","1327.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N4 O8 -","- C29 H26 N4 O8 -","- C58 H52 N8 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1232","0.0898","","","0.2511","0.2647","","","","","","1.168","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542801","21.647","0.003","12.8623","0.0016","15.712","0.002","90","","101.543","0.007","90","","4286.2","1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N4 O7 -","- C25 H18 N4 O7 -","- C200 H144 N32 O56 -","8","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0743","0.0517","","","0.1221","0.1362","","","","","","0.887","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542802","8.1859","0.0013","12.787","0.002","13.173","0.002","83.634","0.006","83.848","0.006","73.246","0.005","1308.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N2 O9 -","- C31 H26 N2 O9 -","- C62 H52 N4 O18 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0697","0.0544","","","0.1369","0.1435","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542803","8.416","0.003","12.297","0.004","13.111","0.004","87.1","0.006","84.103","0.006","73.503","0.005","1293.8","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 N3 O7 -","- C33 H22 N3 O7 -","- C66 H44 N6 O14 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1894","0.0845","","","0.1788","0.2156","","","","","","0.987","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542804","9.9945","0.0003","13.4346","0.0004","17.822","0.0005","81.016","0.001","78.335","0.001","86.046","0.001","2313.09","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H42 N7 O8 -","- C58 H42 N7 O8 -","- C116 H84 N14 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.069","0.0456","","","0.107","0.1203","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542805","9.48","0.0007","11.2614","0.0009","13.5129","0.001","104.785","0.004","108.855","0.004","90.687","0.004","1312.95","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 N3 O8 -","- C33 H22 N3 O8 -","- C66 H44 N6 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0665","0.0456","","","0.1132","0.1226","","","","","","0.994","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542806","4.983","","15.381","","18.142","","112.21","","94.99","","94.92","","1271.77","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 N3 O7 -","- C33 H22 N3 O7 -","- C66 H44 N6 O14 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1155","0.0614","","","0.1293","0.1549","","","","","","0.966","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542807","9.8066","0.0009","10.4874","0.001","13.0073","0.0012","97.993","0.007","94.646","0.007","108.15","0.008","1247.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N2 O7 S -","- C29 H21 N2 O7 S -","- C58 H42 N4 O14 S2 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0718","0.0526","","","0.1323","0.1421","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542808","12.547","0.002","13.299","0.002","18.49","0.003","94.246","0.007","90.204","0.006","98.776","0.007","3040.5","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H50 N6 O14 S6 -","- C69 H50 N6 O14 S6 -","- C138 H100 N12 O28 S12 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1023","0.0666","","","0.1658","0.1877","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542809","9.974","","11.421","","13.009","","78.51","","85.22","","66.39","","1330.63","","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N2 O7 S -","- C29.9999 H20 N2 O7 S1.003 -","- C59.9998 H40 N4 O14 S2.006 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1182","0.0679","","","0.1742","0.202","","","","","","1.042","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542810","12.664","","13.235","","22.191","","104.03","","96.59","","104.04","","3440.59","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H63 N6 O14 -","- C90 H63 N6 O14 -","- C180 H126 N12 O28 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1836","0.0804","","","0.1702","0.2131","","","","","","1.018","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542811","10.5919","0.0006","11.6067","0.0006","11.6919","0.0007","85.133","0.004","72.938","0.003","75.632","0.003","1331.01","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H24 N2 O7 -","- C34 H24 N2 O7 -","- C68 H48 N4 O14 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0759","0.0501","","","0.125","0.14","","","","","","1.039","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542812","7.2731","0.0004","15.9052","0.001","12.7766","0.0006","90","","99.291","0.005","90","","1458.61","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 N3 O3 S -","- C12 H19 N3 O3 S -","- C48 H76 N12 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0508","0.0383","","","0.0932","0.0995","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542813","7.302","0.0009","17.189","0.002","12.2835","0.0016","90","","106.76","0.002","90","","1476.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 N2 O3 S -","- C13 H20 N2 O3 S -","- C52 H80 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0699","0.0597","","","0.1353","0.1419","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542814","7.1564","0.0013","13.369","0.002","15.276","0.003","90","","90","","90","","1461.5","0.4","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cl N2 O3 S -","- C12 H17 Cl N2 O3 S -","- C48 H68 Cl4 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.2263","0.0896","","","0.0874","0.1141","","","","","","0.968","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542815","7.0957","0.0006","13.128","0.0013","15.3425","0.0018","90","","90","","90","","1429.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O3 S -","- C12 H19 N3 O3 S -","- C48 H76 N12 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.1062","0.0529","","","0.0638","0.0796","","","","","","0.901","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542816","7.156","0.003","13.538","0.005","15.406","0.006","90","","90","","90","","1492.5","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Br N2 O3 S -","- C12 H17 Br N2 O3 S -","- C48 H68 Br4 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0557","0.0398","","","0.0858","0.0931","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542817","5.3367","0.0006","15.9206","0.0017","16.07","0.003","90","","98.308","0.012","90","","1351","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.1379","0.0645","","","0.093","0.1183","","","","","","1.019","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542818","9.8782","0.0006","14.172","0.0006","10.8753","0.0006","90","","112.85","0.007","90","","1403","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl N2 O3 S -","- C12 H17 Cl N2 O3 S -","- C48 H68 Cl4 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0454","0.0385","","","0.0975","0.1031","","","","","","1.093","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542819","7.07","0.0009","12.7624","0.0013","14.977","0.002","90","","90","","90","","1351.4","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.1088","0.0777","","","0.1703","0.1806","","","","","","1.231","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542820","25.701","0.004","6.8096","0.0004","19.177","0.003","90","","127.4","0.02","90","","2666.2","0.9","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cl N2 O3 S -","- C11 H15 Cl N2 O3 S -","- C88 H120 Cl8 N16 O24 S8 -","8","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.108","0.0595","","","0.1105","0.1344","","","","","","1.067","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542821","25.914","0.003","6.8687","0.0009","19.202","0.002","90","","126.873","0.002","90","","2734.2","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Br N2 O3 S -","- C11 H15 Br N2 O3 S -","- C88 H120 Br8 N16 O24 S8 -","8","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0468","0.0348","","","0.0877","0.0939","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542822","5.21","0.003","8.449","0.004","16.104","0.008","82.894","0.008","82.798","0.008","81.772","0.008","692","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C24 H36 N4 O6 S2 -","2","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0734","0.0504","","","0.1391","0.1526","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542823","10.521","0.002","13.7661","0.0012","10.3407","0.0016","90","","116.31","0.02","90","","1342.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Cl N2 O3 S -","- C11 H15 Cl N2 O3 S -","- C44 H60 Cl4 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0618","0.0435","","","0.1052","0.1144","","","","","","0.983","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542824","7.1043","0.0005","12.7937","0.001","14.0302","0.0016","90","","90","","90","","1275.2","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O3 S -","- C11 H16 N2 O3 S -","- C44 H64 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0543","0.0466","","","0.1138","0.1201","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542825","19.6786","0.0011","22.7703","0.0013","14.8344","0.0009","90","","104.147","0.001","90","","6445.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3,6,8-tetrakis(2,6-dimethyl-4-(?-carboxy)methoxyphenyl)pyrene","","- C65 H67 Mn2 N3 O17 -","- C65 H67 Mn2 N3 O17 -","- C260 H268 Mn8 N12 O68 -","4","1","","Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha","A fluorescent paramagnetic Mn metal‒organic framework based on semi-rigid pyrene tetracarboxylic acid: sensing of solvent polarity and explosive nitroaromatics","IUCrJ","2015","2","5","552","562","10.1107/S2052252515012506","","","0.71073","MoKα","","0.1754","0.1062","","","0.278","0.3136","","","","","","1.047","","","","has coordinates","178182","2020-10-21","18:00:00",""
"1542826","28.172","0.005","4.935","0.001","10.375","0.002","90","","90.3","0.01","90","","1442.4","0.5","120","","120","","","","","","","","Synthesized by Lee Brooks, Keele University","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-7-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.82","Synchrotron","","0.0853","0.0852","","0.0804","0.0804","0.0804","","","","","","0.9344","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542827","18.43381","0.00043","7.175975","0.000086","11.02071","0.00026","90","","101.974","0.0028","90","","1426.1","0.05","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-13-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542828","16.00237","0.00029","7.154313","0.000081","12.40169","0.00026","90","","109.825","0.0015","90","","1335.67","0.04","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-11-methylheptacosane","","- C28 H58 -","- C28 H58 -","- C56 H116 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.79975","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542829","16.0129","0.00024","7.14458","0.000071","14.09635","0.00026","90","","118.06","0.00096","90","","1423.14","0.04","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-11-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80025","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542830","21.44393","0.00075","4.937406","0.000076","12.34557","0.0004","90","","105.625","0.0015","90","","1258.81","0.06","80","","80","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-9-methylpentacosane","","- C26 H54 -","- C26 H54 -","- C52 H108 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80025","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542831","23.4884","0.0013","4.93921","0.0001","12.33521","0.00059","90","","109.295","0.0024","90","","1350.68","0.1","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-9-methylheptacosane","","- C28 H58 -","- C28 H58 -","- C56 H116 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542832","25.6203","0.0018","4.93638","0.00018","12.32668","0.00091","90","","112.448","0.004","90","","1440.84","0.16","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-9-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542833","27.78145","0.00044","4.933812","0.00004","12.38987","0.00021","90","","115.68","0.00077","90","","1530.52","0.04","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-9-methylhentriacontane","","- C32 H66 -","- C32 H66 -","- C64 H132 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542834","28.09291","0.00037","4.932501","0.000029","10.36893","0.00012","90","","90.4059","0.00059","90","","1436.77","0.03","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-7-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542835","11.216","0.006","8.214","0.006","14.073","0.012","90","","128.86","0.03","90","","1009.6","1.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R.","Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion","IUCrJ","2015","2","6","653","660","10.1107/S2052252515017297","","","0.71073","MoKα","","0.0465","0.0434","","","0.1236","0.1267","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542836","5.54","0.004","8.259","0.005","11.281","0.009","83.61","0.02","83.275","0.017","74.48","0.02","492.2","0.6","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O8 -","- C22 H24 O8 -","- C22 H24 O8 -","1","0.5","","Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R.","Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion","IUCrJ","2015","2","6","653","660","10.1107/S2052252515017297","","","0.71073","MoKα","","0.0447","0.039","","","0.1072","0.1252","","","","","","1.126","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542837","21.1854","0.0015","7.0826","0.0005","10.0747","0.0007","90","","98.208","0.002","90","","1496.2","0.18","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 B F2 O4 -","- C17 H15 B F2 O4 -","- C68 H60 B4 F8 O16 -","4","0.5","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla","Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives","IUCrJ","2015","2","6","611","619","10.1107/S2052252515015134","","","0.71073","MoKα","","0.0359","0.0327","","","0.0924","0.0948","","","","","","1.081","","","","has coordinates","178185","2020-10-21","18:00:00",""
"1542838","8.0234","0.0007","9.0901","0.0008","10.7916","0.0008","75.514","0.007","80.766","0.007","69.797","0.008","712.78","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 B F2 O3 -","- C16 H13 B F2 O3 -","- C32 H26 B2 F4 O6 -","2","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla","Structure–mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives","IUCrJ","2015","2","6","611","619","10.1107/S2052252515015134","","x-ray","0.71073","MoKα","","0.0779","0.0566","","","0.1235","0.1362","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542839","28.575","0.004","7.0402","0.0009","10.3208","0.0013","90","","102.92","0.003","90","","2023.7","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 B F2 O2 -","- C23 H27 B F2 O2 -","- C92 H108 B4 F8 O8 -","4","0.5","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla","Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives","IUCrJ","2015","2","6","611","619","10.1107/S2052252515015134","","","0.71073","MoKα","","0.0413","0.0348","","","0.0946","0.1003","","","","","","1.0546","","","","has coordinates","178185","2020-10-21","18:00:00",""
"1544346","5.1686","0.0003","5.3814","0.0004","7.2426","0.0004","90","","90","","90","","201.45","0.02","","","","","","","","","","","","2","P b n a","-P 2ac 2b","60","Rh2O3 II High-P phase","","","- O3 Rh2 -","- O3 Rh2 -","- O12 Rh8 -","4","0.5","","Shannon, R.D.; Prewitt, C.T.","Synthesis and structure of a new high-pressure form of Rh2O3","Journal of Solid State Chemistry","1970","2","","134","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","187517","2020-10-21","18:00:00",""
"1544684","9.73","","12.357","","3.055","","90","","90","","90","","367.314","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","8(Fe0.625Mg0.375)O*2Fe2O3*2B2O3","","vonsenite","- B4 Fe9 Mg3 O20 -","- B4 Fe12 O20 -","- B4 Fe12 O20 -","1","0.125","","Takeuchi, Y.","The crystal structure of vonsenite","Mineralogical Journal","1956","2","","19","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","188718","2020-10-21","18:00:00",""
"1544687","5.881","0.002","5.881","0.002","5.881","0.002","90","","90","","90","","203.4","0.12","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","NiSbS","","ullmanite","- Ni S Sb -","- Ni S Sb -","- Ni4 S4 Sb4 -","4","0.333333","","Takeuchi, Y.","Absolute structure of ullmanite, NiSbS","Mineralogical Journal","1957","2","","90","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","188721","2020-10-21","18:00:00",""
"1544910","5.5406","0.0006","5.5406","0.0006","5.34","0.001","90","","90","","120","","141.97","0.03","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","SrBi2O6","","SrBi2O6","- Bi2 O6 Sr -","- Bi2 O6 Sr -","- Bi2 O6 Sr -","1","0.0833333","","Kumada, N.; Miura, A.; Takei, T.; Yashima, M.","Crystal structures of a pentavalent bismuthate, SrBi2O6 and a lead bismuth oxide (Pb1/3Bi2/3)O1.4","Journal of Asian Ceramic Societies","2014","2","","150","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","189474","2020-10-21","18:00:00",""
"1544911","5.532","0.001","5.532","0.001","5.532","0.001","90","","90","","90","","169.3","0.05","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Pb1/3Bi2/3O1.4","","Pb1/3Bi2/3O1.4","- Bi0.667 O1.4 Pb0.333 -","- Bi0.6667 O1.36 Pb0.3333 -","- Bi2.6668 O5.44 Pb1.3332 -","4","0.0208333","","Kumada, N.; Miura, A.; Takei, T.; Yashima, M.","Crystal structures of a pentavalent bismuthate, SrBi2O6 and a lead bismuth oxide (Pb1/3Bi2/3)O1.4","Journal of Asian Ceramic Societies","2014","2","","150","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","189475","2020-10-21","18:00:00",""
"1545011","9.12236","0.0001","18.7734","0.0003","7.70271","0.0001","90","","108.576","0.001","90","","1250.42","0.03","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide","","- C12 H9 Br N2 O2 S -","- C12 H9 Br N2 O2 S -","- C48 H36 Br4 N8 O8 S4 -","4","1","IS4014","Sheikh, Md. Chanmiya; Yoshimura, Toshiaki; Fujii, Takayoshi; Miyatake, Ryuta","<i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide","IUCrData","2017","2","1","x162033","","10.1107/S2414314616020332","","","1.54187","CuKα","","","0.0374","","","","0.1007","","","","","","1.082","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545012","10.3476","0.0016","10.7877","0.0017","16.922","0.003","90","","106.214","0.008","90","","1813.8","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","SU4117","Janzen, Daron E.; Majerle, Rita S.; Novosad, Katie L.","<i>N</i>,<i>N</i>-Dibutylanilinium hydrogen squarate","IUCrData","2017","2","1","x162065","","10.1107/S2414314616020654","","","0.71075","MoKα","","0.0654","0.0444","","","0.0986","0.1076","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545013","11.0543","0.001","12.1612","0.001","12.3464","0.001","119.14","0.004","94.668","0.005","93.182","0.005","1436.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide","","- C14 H12 I N O3 S -","- C14 H12 I N O3 S -","- C56 H48 I4 N4 O12 S4 -","4","2","","Naveen, S.; Suresha, E.; Sudha, A. G.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide","IUCrData","2017","2","1","x162030","","10.1107/S2414314616020307","","","1.54178","CuKα","","0.0814","0.0624","","","0.1633","0.1816","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545014","10.4024","0.0015","17.797","0.002","10.2829","0.0014","90","","112.908","0.007","90","","1753.5","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one","","- C19 H20 N4 O S -","- C19 H20 N4 O S -","- C76 H80 N16 O4 S4 -","4","1","SU4113","Xu, Jianchao; Wang, Hewen","3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one","IUCrData","2017","2","1","x162001","","10.1107/S2414314616020010","","","0.71073","MoKα","","0.0635","0.0447","","","0.0903","0.099","","","","","","0.971","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545015","11.139","0.007","6.979","0.004","12.546","0.008","90","","102.221","0.007","90","","953.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ<i>O</i>^2^,κ<i>O</i>^4^)cobalt(II) dihydrate","","- C10 H10 Co F12 O8 -","- C10 H10 Co F12 O8 -","- C20 H20 Co2 F24 O16 -","2","0.5","WM4036","Tominaga, Takumi; Mochida, Tomoyuki","<i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) dihydrate","IUCrData","2017","2","1","x170002","","10.1107/S2414314617000025","","","0.71073","MoKα","","0.033","0.0298","","","0.0773","0.0795","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545016","5.9923","0.0001","11.0704","0.0002","12.1128","0.0003","107.981","0.0009","91.3414","0.0009","97.2061","0.0009","756.6","0.03","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","","- C14 H18 Cl N3 O S -","- C14 H18 Cl N3 O S -","- C28 H36 Cl2 N6 O2 S2 -","2","1","SU4104","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","(<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","IUCrData","2017","2","1","x161997","","10.1107/S2414314616019970","","","0.71073","MoKα","","0.0603","0.0526","","","0.1263","0.1304","","","","","","1.123","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545017","7.1284","0.0002","12.2818","0.0003","18.3709","0.0005","75.625","0.002","88.538","0.002","86.553","0.002","1555.1","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(6-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","","- C15 H16 F N O2 S2 -","- C15 H16 F N O2 S2 -","- C60 H64 F4 N4 O8 S8 -","4","2","SU4119","El-Khatatneh, Nasseem; Chandra; Rajesh, B. M.; Kumar, Shamantha; Doreswamy, B. H.; Mahendra, M.","(6-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","IUCrData","2017","2","1","x162069","","10.1107/S2414314616020691","","","0.71073","MoKα","","0.0474","0.0363","","","0.0863","0.0935","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545018","8.4001","0.0008","9.6239","0.0009","18.0037","0.0018","90","","90","","90","","1455.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione","","- C17 H16 N2 S -","- C17 H16 N2 S -","- C68 H64 N8 S4 -","4","1","SJ4080","El Ghayati, Lhoussaine; Hamou Ahabchane, Noureddine; Lamine Doumbia, Mohamadou; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione","IUCrData","2017","2","1","x161998","","10.1107/S2414314616019982","","","0.71073","MoKα","","0.0871","0.0454","","","0.1031","0.1165","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545019","23.44","0.003","4.6307","0.0006","10.6408","0.0013","90","","90","","90","","1155","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","HB4107","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol","IUCrData","2017","2","1","x162009","","10.1107/S2414314616020095","","","0.71073","MoKα","","0.0458","0.041","","","0.1084","0.1121","","","","","","1.089","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545021","8.351","0.004","27.156","0.014","8.545","0.004","90","","99.414","0.007","90","","1911.7","1.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(2-methoxyphenyl)phosphine selenide","","- C21 H21 O3 P Se -","- C21 H21 O3 P Se -","- C84 H84 O12 P4 Se4 -","4","1","","Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E.","Tris(2-methoxyphenyl)phosphine selenide","IUCrData","2017","2","1","x170009","","10.1107/S2414314617000098","","","0.71075","MoKα","","0.042","0.0341","","","0.0772","0.0836","","","","","","1.088","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545033","10.1622","0.0006","19.1448","0.0008","8.4373","0.0005","90","","102.425","0.003","90","","1603.06","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyclohexyl-5-(2-hydroxycyclohexanecarbonyl)-3-nitropyridin-2(1H)-one","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","SU4102","Ranjani, T. Siva; Poomathi, N.; Vimala, G.; Perumal, Paramasivam T.; Murugesan, K. Sakthi","1-Cyclohexyl-5-(2-hydroxybenzoyl)-3-nitropyridin-2(1<i>H</i>)-one","IUCrData","2017","2","1","x170004","","10.1107/S2414314617000049","","","0.71073","MoKα","","0.056","0.0355","","","0.0815","0.0942","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545034","9.9869","0.0006","5.3008","0.0003","13.9874","0.0009","90","","93.106","0.002","90","","739.39","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Phenylisoxazolin-5-one","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","HB4110","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Ouasif, Latifa; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","3-Phenylisoxazolin-5-one: a redetermination","IUCrData","2017","2","1","x170032","","10.1107/S2414314617000323","","","1.54178","CuKα","","0.0382","0.0338","","","0.0849","0.0886","","","","","","1.099","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545035","8.7383","0.0006","14.1443","0.0009","19.2405","0.0013","90.732","0.001","92.181","0.001","91.394","0.001","2375.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-2-benzylsulfanyl-4,4-diphenyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","","- C29 H24 N2 O S -","- C29 H24 N2 O S -","- C116 H96 N8 O4 S4 -","4","2","SU4121","Akrad, Rachida; Mague, Joel T.; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Ramli, Youssef","1-Benzyl-2-benzylsulfanyl-4,4-diphenyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","IUCrData","2017","2","1","x170033","","10.1107/S2414314617000335","","","0.71073","MoKα","","0.1064","0.0553","","","0.1371","0.1582","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545036","13.2381","0.0003","9.9265","0.0002","19.0348","0.0004","90","","100.693","0.001","90","","2457.89","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Allyl-3'-phenyl-6'<i>H</i>-spiro[indoline-3,4'-isoxazolo[4',5':5,6]pyrido[2,3-<i>d</i>]pyrimidine]-2,5',7'(8'<i>H</i>,9'<i>H</i>)-trione dimethyl sulfoxide monosolvate","","- C26 H23 N5 O5 S -","- C26 H23 N5 O5 S -","- C104 H92 N20 O20 S4 -","4","1","SU4090","Seethalakshmi, P.; Palanivel, C.","1-Allyl-3'-phenyl-6'<i>H</i>-spiro[indoline-3,4'-isoxazolo[4',5':5,6]pyrido[2,3-<i>d</i>]pyrimidine]-2,5',7'(8'<i>H</i>,9'<i>H</i>)-trione dimethyl sulfoxide monosolvate","IUCrData","2017","2","1","x162044","","10.1107/S2414314616020447","","","0.71073","MoKα","","0.0602","0.0484","","","0.1317","0.1431","","","","","","0.993","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545037","20.7954","0.0006","6.2107","0.0002","11.7871","0.0003","90","","90.653","0.001","90","","1522.25","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Cyclohexyl-3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4,5-dihydro-1-<i>H</i>-1,2,4-triazole-5-thione","","- C14 H21 N5 S -","- C14 H21 N5 S -","- C56 H84 N20 S4 -","4","1","HB4109","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Abdel-Rahman, Hamdy M.; Hawaiz, Farouq E.","4-Cyclohexyl-3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","IUCrData","2017","2","1","x170020","","10.1107/S2414314617000207","","","1.54178","CuKα","","0.0542","0.0477","","","0.1101","0.1153","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545038","10.9903","0.0011","11.2364","0.0011","14.1608","0.0014","89.737","0.008","78.229","0.006","60.997","0.007","1488.2","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(3,5-dimethylphenyl)phosphane-κ<i>P</i>]molybdenum(II)","","- C33 H35 Mo O3 P -","- C33 H35 Mo O3 P -","- C66 H70 Mo2 O6 P2 -","2","1","","Whited, Matthew T.; Ruffer, Eli J.; Zhang, Jia; Rabaey, Dominique J.; Janzen, Daron E.","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(3,5-dimethylphenyl)phosphane-κ<i>P</i>]molybdenum(II)","IUCrData","2017","2","1","x170042","","10.1107/S2414314617000426","","","0.71075","MoKα","","0.0496","0.0378","","","0.0835","0.0883","","","","","","1.045","","","","has coordinates,has Fobs","190494","2020-10-21","18:00:00",""
"1545039","18.1163","0.0018","13.3947","0.0013","12.3002","0.0013","90","","104.223","0.004","90","","2893.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide","","- C13 H9 Cl I N O3 S -","- C13 H9 Cl I N O3 S -","- C104 H72 Cl8 I8 N8 O24 S8 -","8","1","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Warad, Ismail","<i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide","IUCrData","2017","2","1","x170025","","10.1107/S2414314617000256","","","1.54178","CuKα","","0.0668","0.0638","","","0.1651","0.1724","","","","","","1.078","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545040","19.3473","0.0008","9.9623","0.0004","18.5845","0.0007","90","","116.194","0.002","90","","3214.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione","","- C17 H12 Cl2 O2 S -","- C17 H12 Cl2 O2 S -","- C136 H96 Cl16 O16 S8 -","8","1","SU4115","Ravi, A. J.; Vinayaka, A. C.; Roopashree, K. R.; Sadashiva, M. P.; Devarajegowda., H. C.","(<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione","IUCrData","2017","2","1","x162047","","10.1107/S2414314616020472","","","1.54178","CuKα","","0.0536","0.0518","","","0.1392","0.1411","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545041","10.4412","0.0003","7.6959","0.0002","20.2651","0.0005","90","","102.311","0.002","90","","1590.95","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-2,3-dihydro-4H-pyran-5-carboxylate","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-2,3-dihydro-4H-pyran-5-carboxylate","","- C16 H17 Cl O4 -","- C16 H17 Cl O4 -","- C64 H68 Cl4 O16 -","4","1","TK4027","Sharmila, N.; Sundar, T. V.; Sakthivel, P.; Venkatesan, P.","Ethyl 6-(4-chlorophenyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate","IUCrData","2017","2","1","x170034","","10.1107/S2414314617000347","","","0.71073","MoKα","","0.0531","0.0369","","","0.0969","0.1084","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545042","13.211","0.003","13.685","0.002","6.858","0.0014","90","","92.971","0.011","90","","1238.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Fluorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","HB4108","Bougueria, Hassiba; Chetioui, Souheyla; Mili, Assia; eddine Bouaoud, Salah; Merazig, Hocine","(<i>E</i>)-1-(4-Fluorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","IUCrData","2017","2","1","x170039","","10.1107/S2414314617000396","","","0.71073","MoKα","","0.076","0.0424","","","0.1098","0.1242","","","","","","0.971","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545043","14.7725","0.0005","9.3588","0.0003","9.8079","0.0003","90","","116.308","0.0014","90","","1215.53","0.07","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","4-[Bis(2-chloroethyl)amino]benzaldehyde","","","- C11 H13 Cl2 N O -","- C11 H13 Cl2 N O -","- C44 H52 Cl8 N4 O4 -","4","1","SU4089","Seethalakshmi, P.; Palanivel, C.","4-[Bis(2-chloroethyl)amino]benzaldehyde","IUCrData","2017","2","1","x162043","","10.1107/S2414314616020435","","","0.71073","MoKα","","0.0402","0.0378","","","0.0999","0.1025","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545044","31.531","0.003","4.2752","0.0004","14.108","0.0013","90","","90","","90","","1901.8","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C11 H8 F N O2 -","- C11 H8 F N O2 -","- C88 H64 F8 N8 O16 -","8","2","VM4020","Qachchachi, Fatim-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ouzidan, Younes; Essassi, El Mokhtar","5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","1","x170028","","10.1107/S2414314617000281","","","1.54178","CuKα","","0.0796","0.0726","","","0.1771","0.1888","","","","","","1.096","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545056","6.9175","0.0005","17.6267","0.0013","12.0029","0.0009","90","","91.017","0.001","90","","1463.32","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)]","","- C30 H16 Hg2 N6 S4 -","- C30 H16 Hg2 N6 S4 -","- C60 H32 Hg4 N12 S8 -","2","0.5","BH4022","Tan, Shuzhi; Liu, Leili; Du, Yongli","<i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)]","IUCrData","2017","2","1","x170059","","10.1107/S2414314617000591","","","0.71073","MoKα","","0.0354","0.0276","","","0.0592","0.0615","","","","","","1.016","","","","has coordinates,has Fobs","190610","2020-10-21","18:00:00",""
"1545057","7.0373","0.0004","20.7068","0.0014","8.4725","0.0006","90","","92.088","0.003","90","","1233.79","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane]","","- C15 H15 F O3 -","- C15 H15 F O3 -","- C60 H60 F4 O12 -","4","1","","Ayswariya, I.; Rajalakshmi, P.; Krishnakumar, R.V.; Srinivasan, N.","9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane]","IUCrData","2017","2","1","x170045","","10.1107/S2414314617000451","","","0.71073","MoKα","","0.0952","0.0453","","","0.0953","0.1211","","","","","","1.005","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545117","7.4379","0.0004","18.736","0.0011","25.4469","0.0014","90","","90","","90","","3546.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","","- C20 H14 Br2 N2 O2 -","- C20 H14 Br2 N2 O2 -","- C160 H112 Br16 N16 O16 -","8","1","","Dekar, Souad; Bendia, Sabrina; Ouari, Kamel","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","IUCrData","2017","2","1","x170077","","10.1107/S2414314617000773","","","0.71073","MoKα","","0.0597","0.0365","","","0.0665","0.0722","","","","","","1.041","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545118","9.2966","0.0004","23.0723","0.0011","9.8089","0.0004","90","","109.663","0.001","90","","1981.26","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C25 H15 Br N2 S -","- C25 H15 Br N2 S -","- C100 H60 Br4 N8 S4 -","4","1","SU4124","Kavitha, T.; Mayakrishnan, Sivakalai; Perumal, T. Paramasivam; Suvasini, Chandramouleeswaran; Lakshmi, Srinivasakannan","2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","IUCrData","2017","2","1","x170089","","10.1107/S241431461700089X","","","0.71073","MoKα","","0.0528","0.033","","","0.0841","0.0975","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545305","9.2595","0.0014","9.9204","0.0015","10.1731","0.0015","64.259","0.004","72.322","0.005","64.093","0.004","749.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride","","- C16 H8 Cl4 N2 -","- C16 H8 Cl4 N2 -","- C32 H16 Cl8 N4 -","2","1","BT4044","Weil, Matthias; Siebert, David Chan Bodin; Schnürch, Michael","(<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride","IUCrData","2017","2","2","x170274","","10.1107/S2414314617002747","","","0.71073","MoKα","","0.0315","0.0247","","","0.0649","0.0683","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545306","13.8301","0.0006","19.717","0.0009","10.2121","0.0005","90","","109.642","0.001","90","","2622.7","0.2","150","","149.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dimethylpyridinium iodide","","- C7 H10 I N -","- C7 H10 I N -","- C84 H120 I12 N12 -","12","3","SU4130","Deschner, Joshua; Choczynski, Jack M.; Wong, Calvin Y.; Hayes, Kathleen L.; Crisci, Ralph R.; Lasher, Emily M.; Dragonette, Joseph; Cardenas, Allan Jay P.","1,4-Dimethylpyridinium iodide","IUCrData","2017","2","2","x170269","","10.1107/S2414314617002693","","","0.71073","MoKα","","0.0244","0.021","","","0.0461","0.0476","","","","","","1.142","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545307","5.514","0.0011","12.418","0.003","15.372","0.003","90","","90","","90","","1052.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","HB4124","Gao, Min; Lu, Li-Ping","3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate","IUCrData","2017","2","2","x170271","","10.1107/S2414314617002711","","","0.72","synchrotron","","0.037","0.0357","","","0.096","0.0972","","","","","","1.105","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545308","3.8091","0.0003","10.2616","0.0009","11.9768","0.0011","90","","96.165","0.003","90","","465.44","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene","","- C10 H8 N6 -","- C10 H8 N6 -","- C20 H16 N12 -","2","0.5","HB4114","Du, Ran; Meng, Li; Lu, Li-Ping","1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene","IUCrData","2017","2","2","x170272","","10.1107/S2414314617002723","","","0.71073","MoKα","","0.0542","0.0431","","","0.1082","0.1144","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545376","17.548","0.005","8.719","0.003","12.237","0.004","90","","108.38","0.009","90","","1776.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-3-[4-(pyridin-2-yl)phenyl]-4,5-dihydroisoxazole","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","PK4012","El-Khatatneh, Nasseem; Vinayaka, A. C.; Chandra; Sadashiva, M. P.; Jeyaseelan, S.; Mahendra, M.","5-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-3-[4-(pyridin-2-yl)phenyl]-4,5-dihydroisoxazole","IUCrData","2017","2","2","x170278","","10.1107/S2414314617002784","","","0.71073","MoKα","","0.0621","0.0444","","","0.1171","0.1271","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545377","10.4395","0.0001","10.8739","0.0001","16.7853","0.0002","90","","95.448","0.001","90","","1896.83","0.03","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","Cannabidiol","2-[(1<i>R</i>,6<i>R</i>)-3-Methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl]-5-pentylbenzene-1,3-diol","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","SU4129","Mayr, Tobias; Grassl, Tobias; Korber, Nikolaus; Christoffel, Volker; Bodensteiner, Michael","Cannabidiol revisited","IUCrData","2017","2","2","x170276","","10.1107/S2414314617002760","","","1.39222","CuKβ","","0.0336","0.0322","","","0.0861","0.0881","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545378","8.8003","0.0006","8.8003","0.0006","19.772","0.002","90","","90","","90","","1531.2","0.2","93","","93","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","","- C14 H6 Cl2 N2 O4 Ru -","- C14 H6 Cl2 N2 O4 Ru -","- C56 H24 Cl8 N8 O16 Ru4 -","4","0.5","","Takase, Tsugiko; Takahashi, Kasumi; Oyama, Dai","<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","IUCrData","2017","2","2","x170288","","10.1107/S2414314617002887","","","0.71075","MoKα","","","0.0249","","","","0.0613","","","","","","1.082","","","","has coordinates,has Fobs","192763","2020-10-21","18:00:00",""
"1545379","6.9962","0.0013","18.654","0.004","12.426","0.003","90","","91.273","0.005","90","","1621.3","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","","- C16 H23 Cl2 N O -","- C16 H23 Cl2 N O -","- C64 H92 Cl8 N4 O4 -","4","2","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","IUCrData","2017","2","2","x170255","","10.1107/S2414314617002553","","","0.71073","MoKα","","0.0594","0.0381","","","0.0835","0.0938","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545380","12.486","0.007","9.738","0.005","16.089","0.009","90","","109.518","0.006","90","","1843.8","1.7","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","FF4013","Kawashima, Takuya; Okuno, Tsunehisa","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","IUCrData","2017","2","2","x170277","","10.1107/S2414314617002772","","","0.71075","MoKα","","0.0892","0.0602","","","0.141","0.1619","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545381","17.511","0.001","8.9191","0.0007","25.2761","0.0015","90","","92.179","0.002","90","","3944.8","0.4","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one","","- C26 H14 Br2 O -","- C26 H14 Br2 O -","- C208 H112 Br16 O8 -","8","2","SU5344","Chen, Yih-Chun; Watanabe, Motonori; Wen, Yuh-Sheng; Chang, Yuan Jay","2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one","IUCrData","2017","2","2","x170301","","10.1107/S2414314617003017","","","0.71073","MoKα","","0.0402","0.0276","","","0.0589","0.0634","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545382","8.6572","0.0002","8.8108","0.0002","14.2054","0.0003","79.406","0.001","86.24","0.001","67.895","0.001","986.78","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II)","","- C38 H36 Cl2 Cu N8 O12 -","- C38 H36 Cl2 Cu N8 O12 -","- C38 H36 Cl2 Cu N8 O12 -","1","0.5","ZQ4016","Chkirate, Karim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","<i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II)","IUCrData","2017","2","2","x170285","","10.1107/S2414314617002851","","","1.54178","CuKα","","0.0563","0.0437","","","0.1092","0.1181","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545383","9.7147","0.0003","10.0052","0.0003","16.3078","0.0005","90","","90","","90","","1585.08","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3,3b,4,5,6,7,7a,7b-octahydro-3a<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide","","- C17 H27 N O -","- C17 H27 N O -","- C68 H108 N4 O4 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","<i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3a,3b,4,5,6,7,7a,7b-octahydro-3<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide","IUCrData","2017","2","2","x170275","","10.1107/S2414314617002759","","","0.71073","MoKα","","0.0412","0.0383","","","0.0997","0.1028","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545384","10.4328","0.0012","14.3157","0.0015","10.4869","0.0012","90","","117.064","0.006","90","","1394.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C56 H60 N4 O16 S4 -","4","1","HB4126","Shakuntala, K.; Kumari, Vijaya; Lokanath, N. K.; Naveen, S.; Suchetan, P. A.","2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide","IUCrData","2017","2","2","x170311","","10.1107/S241431461700311X","","","1.54178","CuKα","","0.0756","0.0666","","","0.1767","0.1857","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545385","8.0315","0.0011","9.7147","0.0014","10.7577","0.0015","111.205","0.004","90.226","0.005","109.381","0.004","730.81","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Dibromido(<i>N</i>-phenylbenzamidine-κ<i>N</i>')tin(II)","","- C13 H12 Br2 N2 Sn -","- C13 H12 Br2 N2 Sn -","- C26 H24 Br4 N4 Sn2 -","2","1","ZQ4017","Ma, Xiuming","Dibromido(<i>N</i>-phenylbenzamidine-κ<i>N</i>')tin(II)","IUCrData","2017","2","2","x170316","","10.1107/S2414314617003169","","","0.71073","MoKα","","0.0313","0.0248","","","0.0525","0.0553","","","","","","1.047","","","","has coordinates,has Fobs","192770","2020-10-21","18:00:00",""
"1545386","9.5114","0.0008","12.308","0.0011","12.5537","0.0011","90","","98.962","0.003","90","","1451.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate","","- C14 H15 N O6 S -","- C14 H15 N O6 S -","- C56 H60 N4 O24 S4 -","4","1","BT4043","Kalaiyarasi, S.; Suresh, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate","IUCrData","2017","2","2","x170254","","10.1107/S2414314617002541","","","0.71073","MoKα","","0.0777","0.0512","","","0.1225","0.1417","","","","","","1.096","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545387","8.422","0.0003","10.041","0.0004","10.8799","0.0004","101.889","0.002","94.104","0.002","90.402","0.001","897.79","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-{2-[2-(5-Methyl-1<i>H</i>-pyrazol-3-yl)acetamido]phenyl}benzamide monohydrate","","- C19 H20 N4 O3 -","- C19 H20 N4 O3 -","- C38 H40 N8 O6 -","2","1","SJ4090","Chkirate, Karim; Mague, Joel T.; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar","<i>N</i>-{2-[2-(5-Methyl-1<i>H</i>-pyrazol-3-yl)acetamido]phenyl}benzamide monohydrate","IUCrData","2017","2","2","x170251","","10.1107/S2414314617002516","","","1.54178","CuKα","","0.0444","0.0382","","","0.1062","0.1142","","","","","","1.062","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545479","25.3512","0.0009","14.9091","0.0005","10.7525","0.0003","90","","101.725","0.002","90","","3979.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-6-nitro-1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-indazole","","- C18 H23 Cl N6 O2 -","- C18 H23 Cl N6 O2 -","- C144 H184 Cl8 N48 O16 -","8","2","HB4116","Mohamed Abdelahi, Mohamed Mokhtar; Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Chloro-6-nitro-1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-indazole","IUCrData","2017","2","2","x170146","","10.1107/S2414314617001468","","","1.54178","CuKα","","0.0955","0.0577","","","0.1045","0.1165","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545480","15.4975","0.001","7.8125","0.0005","24.1875","0.0018","90","","107.517","0.008","90","","2792.7","0.4","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-3-[(<i>S</i>)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate","","- C20 H21.33333 F N O4.66667 -","- C20 H21.3333 F N O4.66667 -","- C120 H128 F6 N6 O28 -","6","3","SJ4083","Wang, Xiao-Guang; Ma, Qing-Shuang; Sun, Bin; Xu, Lei; Zhan, Feng-Tao; Zheng, Geng-Xiu","(<i>S</i>)-3-[(<i>S</i>)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate","IUCrData","2017","2","2","x170213","","10.1107/S2414314617002139","","","1.54184","CuKα","","0.052","0.042","","","0.1117","0.119","","","","","","1.058","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1545481","9.5679","0.0012","11.433","0.0013","12.7993","0.0015","90","","108.257","0.004","90","","1329.6","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl (<i>E</i>)-2-(2,7-dimethyl-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[4,3-<i>b</i>]pyran-4-ylidene)acetate","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Bassou, Oulemda; Chicha, Hakima; Bouissane, Latifa; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen","Ethyl (<i>E</i>)-2-(2,7-dimethyl-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[4,3-<i>b</i>]pyran-4-ylidene)acetate","IUCrData","2017","2","2","x170208","","10.1107/S2414314617002085","","","0.71073","MoKα","","0.0762","0.0432","","","0.1183","0.137","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545482","11.8003","0.0012","17.9297","0.0016","9.8723","0.0008","90","","110.279","0.005","90","","1959.3","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-({[3-Benzylsulfanyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-4-yl]imino}methyl)phenol","","- C23 H20 N4 O S -","- C23 H20 N4 O S -","- C92 H80 N16 O4 S4 -","4","1","SU5342","Hou, Qian; Li, Lu; Wang, Hewen","(<i>E</i>)-2-({[3-Benzylsulfanyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-4-yl]imino}methyl)phenol","IUCrData","2017","2","2","x170211","","10.1107/S2414314617002115","","","0.71073","MoKα","","0.051","0.0412","","","0.0942","0.0992","","","","","","1.074","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545483","8.6575","0.0002","7.1749","0.0001","25.3062","0.0005","90","","93.782","0.001","90","","1568.51","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","","- C18 H18 N4 O -","- C18 H18 N4 O -","- C72 H72 N16 O4 -","4","1","SJ4087","Samba, Mohamed; Djerrari, Bahia; Minnih, Mohamed Said; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","IUCrData","2017","2","2","x170256","","10.1107/S2414314617002565","","","1.54178","CuKα","","0.0453","0.0379","","","0.0908","0.096","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545484","16.2421","0.001","16.2421","0.001","8.9182","0.0006","90","","90","","120","","2037.5","0.2","173","","173","","","","","","","","","3","P 63","P 6c","173","Patchouli alcohol","4α,8aβ,9,9-Tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-\ methanonaphthalen-1β(2<i>H</i>)-ol","","- C15 H26 O -","- C15 H26 O -","- C90 H156 O6 -","6","1","SU4069","Inoue, Yutaka","Patchouli alcohol: 4α,8aβ,9,9-tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-methanonaphthalen-1β(2<i>H</i>)-ol","IUCrData","2017","2","2","x170189","","10.1107/S2414314617001894","","","0.71075","MoKα","","0.1106","0.0684","","","0.122","0.1362","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545485","10.525","0.0009","13.4368","0.0009","20.112","0.002","71.141","0.008","89.472","0.009","76.46","0.006","2610","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","3-Methyl-4,5,6,7,8,9-hexahydrocycloocteno-1,2,3-selenadiazolium iodide‒trichloromethane (4/1)","","- C9.25 H15.25 Cl0.75 I N2 Se -","- C9.25 H15.25 Cl0.75 I N2 Se -","- C74 H122 Cl6 I8 N16 Se8 -","8","4","","Schollmeyer, Dieter; Detert, Heiner","3-Methyl-4,5,6,7,8,9-hexahydrocycloocteno-1,2,3-selenadiazolium iodide‒trichloromethane (4/1)","IUCrData","2017","2","2","x170167","","10.1107/S2414314617001675","","","1.54178","CuKα","","0.1009","0.0667","","","0.1748","0.1967","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","217633","2020-10-21","18:00:00",""
"1545486","7.7193","0.0003","8.6977","0.0003","9.5907","0.0004","90.457","0.002","95.07","0.002","90.627","0.002","641.34","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C32 H24 N4 O6 -","2","1","SJ4085","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Adam, Mohamed Shaker S.; Hawaiz, Farouq E.","3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one","IUCrData","2017","2","2","x170139","","10.1107/S2414314617001390","","","1.54178","CuKα","","0.0469","0.0394","","","0.0949","0.1011","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545487","9.44","0.006","14.6051","0.0015","12.321","0.002","90","","105.68","0.03","90","","1635.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(5-Methylbenzofuran-3-yl)-N-phenethylacetamide","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","SJ4086","Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","IUCrData","2017","2","2","x170200","","10.1107/S2414314617002000","","","1.5418","CuKα","","0.1166","0.0625","","","0.1393","0.1685","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545488","14.3727","0.0009","4.8669","0.0004","22.3233","0.0013","90","","118.859","0.009","90","","1367.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol","","- C14 H11 Cl N2 O4 -","- C14 H11 Cl N2 O4 -","- C56 H44 Cl4 N8 O16 -","4","1","","Öv Bodur, Gönül Sevde; Yavuz, Metin; Dege, Necmi; Bülbül, Hakan; Ağar, Erbil","(<i>E</i>)-2-{[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol","IUCrData","2017","2","2","x170177","","10.1107/S2414314617001778","","","0.71073","MoKα","","0.0902","0.0417","","","0.0903","0.1062","","","","","","0.942","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545489","9.5435","0.0002","9.5435","0.0002","15.9424","0.0004","90","","90","","90","","1452.01","0.06","120","2","120","2","","","","","","","","3","P 43","P 4cw","78","","1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene","","- C9 H3 Cl9 -","- C9 H3 Cl9 -","- C36 H12 Cl36 -","4","1","","Tober, Natalie; Schollmeyer, Dieter; Detert, Heiner","1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene","IUCrData","2017","2","2","x170227","","10.1107/S2414314617002279","","","0.71073","MoKα","","0.0575","0.0553","","","0.133","0.1349","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545490","7.9322","0.0002","15.2415","0.0004","13.6694","0.0004","90","","106.316","0.001","90","","1586.06","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C15 H17 N5 S -","- C15 H17 N5 S -","- C60 H68 N20 S4 -","4","1","TK4029","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M.","3-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","IUCrData","2017","2","2","x170153","","10.1107/S2414314617001535","","","1.54178","CuKα","","0.0359","0.0331","","","0.0886","0.0913","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545491","7.0734","0.0008","10.4076","0.0012","6.7019","0.0012","90","","116.683","0.004","90","","440.83","0.11","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Dichlorido(<i>o</i>-phenylenediamine)palladium(II)","","- C6 H8 Cl2 N2 Pd -","- C6 H8 Cl2 N2 Pd -","- C12 H16 Cl4 N4 Pd2 -","2","0.5","WM4038","Konno, Yosuke; Matsushita, Nobuyuki","Dichlorido(<i>o</i>-phenylenediamine)palladium(II)","IUCrData","2017","2","2","x170144","","10.1107/S2414314617001444","","","0.71075","MoKα","","0.022","0.0197","","","0.0514","0.0526","","","","","","1.092","","","","has coordinates,has Fobs","193953","2020-10-21","18:00:00",""
"1545492","41.014","0.011","5.7338","0.0015","11.88","0.003","90","","94.442","0.008","90","","2785.4","1.3","176","2","176","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]-1,3,4-thiadiazole","","- C18 H8 F26 N2 S3 -","- C18 H8 F26 N2 S3 -","- C72 H32 F104 N8 S12 -","4","0.5","HB4113","Partl, Gabriel; Laus, Gerhard; Wurst, Klaus; Kopacka, Holger; Müller, Thomas; Huppertz, Hubert; Schottenberger, Herwig","2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]-1,3,4-thiadiazole","IUCrData","2017","2","2","x170110","","10.1107/S2414314617001109","","","0.71073","MoKα","","0.0412","0.0366","","","0.0959","0.099","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545493","7.205","0.0002","19.8831","0.0006","9.7676","0.0003","90","","105.691","0.001","90","","1347.14","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate","","- C9 H14 N6 O6 -","- C9 H14 N6 O6 -","- C36 H56 N24 O24 -","4","1","TK4030","Lahmidi, Sanae; Essassi, El Mokhtar; Benchidmi, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate","IUCrData","2017","2","2","x170159","","10.1107/S2414314617001596","","","0.71073","MoKα","","0.0553","0.043","","","0.1205","0.1334","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545494","5.454","0.0003","8.8013","0.0005","30.2297","0.0018","90","","92.835","0.001","90","","1449.32","0.14","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Glutaminium 4-methylbenzenesulfonate","","- C12 H17 N O7 S -","- C12 H17 N O7 S -","- C48 H68 N4 O28 S4 -","4","2","BT4036","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","<small>L</small>-Glutaminium 4-methylbenzenesulfonate","IUCrData","2017","2","2","x170162","","10.1107/S2414314617001626","","","0.71073","MoKα","","0.0433","0.0357","","","0.0869","0.0915","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545495","7.3148","0.0006","8.403","0.0006","27.67","0.002","90","","90","","90","","1700.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C9 H9 N O S -","- C9 H9 N O S -","- C72 H72 N8 O8 S8 -","8","1","HB4112","Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","2","x170097","","10.1107/S2414314617000979","","","1.54178","CuKα","","0.0298","0.0292","","","0.0755","0.0761","","","","","","1.042","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545496","10.1567","0.0005","8.5396","0.0004","21.8019","0.001","90","","99.329","0.002","90","","1865.96","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","FF4012","Ravi, A. J.; Vinduvahini, M.; Vinayaka, A. C.; Sadashiva, M. P.; Devarajegowda, H. C.","(<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione","IUCrData","2017","2","2","x170043","","10.1107/S2414314617000438","","","1.54178","CuKα","","0.0529","0.0502","","","0.147","0.1506","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545497","7.5446","0.0001","7.5446","0.0001","27.6498","0.0005","90","","90","","90","","1573.85","0.04","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)","","- C6 H11 N O6 -","- C6 H11 N O6 -","- C48 H88 N8 O48 -","8","1","BT4039","Asserar, Fatima; Guenoun, Farhate; Sekkat, Chakib; Labrim, Hicham; Marah, Hamid; Zouihri, Hafid; Yamni, Khalid","Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)","IUCrData","2017","2","2","x170249","","10.1107/S2414314617002498","","","0.71073","MoKα","","0.0584","0.0405","","","0.1077","0.1171","","","","","","1.115","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545498","18.0993","0.0012","14.2646","0.0009","9.599","0.0006","90","","105.345","0.001","90","","2389.9","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterion form","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C120 H128 N8 O8 -","4","0.5","","Bendia, Sabrina; Ouari, Kamel; Karmazin, Lydia","1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterionic form","IUCrData","2017","2","2","x170169","","10.1107/S2414314617001699","","","0.71073","MoKα","","0.0749","0.0525","","","0.1311","0.1464","","","","","","1.126","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545499","8.338","0.0017","10.435","0.002","10.885","0.002","102.95","0.03","97.94","0.03","97.51","0.03","901.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3-[3-amino-4-methylamino-<i>N</i>-(pyridin-2-yl)benzamido]propanoate","","- C18 H22 N4 O3 -","- C18 H22 N4 O3 -","- C36 H44 N8 O6 -","2","1","XU4015","Wen, Gao-Ju; Wang, Ming-Xin; Gu, Lian-Shuai","Ethyl 3-[3-amino-4-methylamino-<i>N</i>-(pyridin-2-yl)benzamido]propanoate","IUCrData","2017","2","2","x161941","","10.1107/S2414314616019416","","","0.71073","MoKα","","0.1126","0.0627","","","0.1603","0.192","","","","","","1.014","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545500","4.9309","0.0002","17.1173","0.0008","16.6517","0.0007","90","","91.189","0.003","90","","1405.16","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-1,3,4-oxadiazole-2(3<i>H</i>)-thione","","- C13 H11 Cl N4 O S -","- C13 H11 Cl N4 O S -","- C52 H44 Cl4 N16 O4 S4 -","4","1","SU4127","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M.","5-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-1,3,4-oxadiazole-2(3<i>H</i>)-thione","IUCrData","2017","2","2","x170176","","10.1107/S2414314617001766","","","1.54178","CuKα","","0.1009","0.0681","","","0.1742","0.195","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545501","13.373","0.003","13.996","0.003","17.219","0.004","90","","90","","90","","3222.9","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyl­tricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C128 H192 Cl16 O8 -","8","2","RZ4010","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Ait Elhad, Mustapha; Oukhrib, Abdelouahd; Berraho, Moha","1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyltricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone","IUCrData","2017","2","2","x170198","","10.1107/S2414314617001985","","","0.71073","MoKα","","0.0361","0.0321","","","0.0808","0.0842","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545502","8.1732","0.0005","10.5828","0.0007","12.1781","0.0008","113.699","0.001","94.617","0.001","99.203","0.001","939.81","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>-[(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-4-fluoroaniline","","- C21 H16 Br F N2 O2 S -","- C21 H16 Br F N2 O2 S -","- C42 H32 Br2 F2 N4 O4 S2 -","2","1","SU4110","Yadav, C. Suresh; Viswanathan, Vijayan; Kannadasan, Sathananthan; Velmurugan, Devadasan","<i>N</i>-[(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-4-fluoroaniline","IUCrData","2017","2","2","x170147","","10.1107/S241431461700147X","","","0.71073","MoKα","","0.0382","0.0316","","","0.0922","0.0958","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545503","5.93718","0.00011","16.9484","0.0003","10.8841","0.0002","90","","103.797","0.0019","90","","1063.62","0.03","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","{(3<i>S</i>,5<i>R</i>)-5-(2,4-Difluorophenyl)-5-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate","","- C21 H21 F2 N3 O4 S -","- C21 H21 F2 N3 O4 S -","- C42 H42 F4 N6 O8 S2 -","2","1","SJ4084","Ma, Qing-Shuang; Wang, Xiao-Guang; Xu, Lei; Bin, Sun; Xia, Dao-Hong; Zheng, Geng-Xiu","{(3<i>S</i>,5<i>R</i>)-5-(2,4-Difluorophenyl)-5-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate","IUCrData","2017","2","2","x170242","","10.1107/S2414314617002425","","","1.54184","CuKα","","0.0375","0.0334","","","0.0824","0.0853","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545504","10.7224","0.0001","11.1042","0.0002","14.7761","0.0002","90","","96.078","0.001","90","","1749.41","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(piperidine-κ<i>N</i>)rhodium]","","- C38 H42 N2 O8 Rh2 -","- C38 H42 N2 O8 Rh2 -","- C76 H84 N4 O16 Rh4 -","2","0.5","","Selent, Detlef; Drexler, Hans-Joachim","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(piperidine-κ<i>N</i>)rhodium]","IUCrData","2017","2","2","x170205","","10.1107/S241431461700205X","","","0.71073","MoKα","","0.0236","0.021","","","0.0528","0.0545","","","","","","1.053","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545505","12.632","0.0006","9.3954","0.0004","12.3733","0.0006","90","","102.708","0.001","90","","1432.52","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-Phenyl-1<i>H</i>-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C17 H12 N4 O2 -","- C17 H12 N4 O2 -","- C68 H48 N16 O8 -","4","1","HB4111","Ghomsi Nathan, Joseph Tene; Hamou Ahabchane, Noureddine; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","1-(3-Phenyl-1<i>H</i>-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","2","x170073","","10.1107/S2414314617000736","","","0.71073","MoKα","","0.071","0.0519","","","0.1392","0.1529","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545506","11.6326","0.0005","6.1866","0.0002","20.1712","0.0008","90","","98.023","0.002","90","","1437.44","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[2-(3,4-Dimethylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","HB4118","Chetioui, Souheyla; Boutebdja, Mehdi; Boudraa, Mhamed; Touzani, Rachid; Merazig, Hocine","(<i>E</i>)-1-[2-(3,4-Dimethylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","IUCrData","2017","2","2","x170259","","10.1107/S2414314617002590","","","0.71073","MoKα","","0.0735","0.0442","","","0.1061","0.1206","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545507","10.6311","0.0005","11.0403","0.0005","12.034","0.0006","97.594","0.002","92.173","0.002","99.423","0.001","1378.59","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate","","- C13 H11 I N O3.5 S -","- C13 H11 I N O3.5 S -","- C52 H44 I4 N4 O14 S4 -","4","2","HB4117","Suchetan, P. A.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Naveen, S.; Warad, Ismail","4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate","IUCrData","2017","2","2","x170149","","10.1107/S2414314617001493","","","1.54178","CuKα","","0.0421","0.0409","","","0.1123","0.114","","","","","","1.069","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545508","10.2436","0.0008","4.7669","0.0004","14.1543","0.0011","90","","96.6007","0.0016","90","","686.58","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methylbenzo[<i>d</i>][2,1,3]selenadiazole","","- C7 H6 N2 Se -","- C7 H6 N2 Se -","- C28 H24 N8 Se4 -","4","1","RZ4011","Ouahine, Halima; Ait Ali, Mustapha; El Firdoussi, Larbi; Spannenberg, Anke","5-Methylbenzo[<i>d</i>][2,1,3]selenadiazole","IUCrData","2017","2","2","x170226","","10.1107/S2414314617002267","","","0.71073","MoKα","","0.0258","0.0235","","","0.0644","0.0664","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545523","15.4313","0.0007","5.6117","0.0002","22.8702","0.0012","90","","108.713","0.002","90","","1875.77","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-[({[bis(2-Cyanoethyl)carbamothioyl]disulfanyl}methanethioyl)(2-cyanoethyl)amino]propanenitrile","","- C14 H16 N6 S4 -","- C14 H16 N6 S4 -","- C56 H64 N24 S16 -","4","0.5","LH4017","Sonia, A. S.; Baskaran, R.; Selvanayagam, S.","Crystal structure of 3-[({[bis(2-cyanoethyl)carbamothioyl]disulfanyl}methanethioyl)(2-cyanoethyl) amino]propanenitrile","IUCrData","2017","2","3","x170346","","10.1107/S2414314617003467","","","0.71073","MoKα","","0.0569","0.0369","","","0.0935","0.1089","","","","","","1.105","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545554","5.874","0.0019","21.077","0.007","5.974","0.002","90","","110.372","0.013","90","","693.4","0.4","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","VAZO-88","(<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile)","","- C14 H20 N4 -","- C14 H20 N4 -","- C28 H40 N8 -","2","0.5","","Begum, Farzana; Twamley, Brendan; Baker, Robert J.","(<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile)","IUCrData","2017","2","3","x170369","","10.1107/S2414314617003698","","","1.54184","CuKα","","0.061","0.0585","","","0.1571","0.1595","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545555","8.1107","0.0004","8.2615","0.0004","11.2048","0.0005","86.791","0.002","70.625","0.002","85.783","0.002","705.96","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide","","- C12 H7 Cl4 N O2 S -","- C12 H7 Cl4 N O2 S -","- C24 H14 Cl8 N2 O4 S2 -","2","1","SJ4094","Shakuntala, K.; Lokanath, N. K.; Naveen, S.; Suchetan, P. A.","3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide","IUCrData","2017","2","3","x170372","","10.1107/S2414314617003728","","","1.54178","CuKα","","0.0655","0.0633","","","0.1818","0.1902","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545556","10.857","0.0005","9.0549","0.0004","14.955","0.0007","90","","91.006","0.004","90","","1469.99","0.12","173","2","173","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(7-Isopropyl-2,5-dimethyl-8-nitronaphthalen-1-yl)ethanone","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; Taourirte, Moha; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha","1-(7-Isopropyl-2,5-dimethyl-8-nitronaphthalen-1-yl)ethanone","IUCrData","2017","2","3","x170368","","10.1107/S2414314617003686","","","0.71073","MoKα","","0.045","0.0374","","","0.0981","0.1033","","","","","","1.045","","","","has coordinates,has Fobs","194188","2020-10-21","18:00:00",""
"1545557","6.1673","0.0003","13.0059","0.0007","17.6433","0.0009","90","","90","","90","","1415.19","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide","","- C13 H11 Cl2 N O2 S -","- C13 H11 Cl2 N O2 S -","- C52 H44 Cl8 N4 O8 S4 -","4","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide","IUCrData","2017","2","3","x170375","","10.1107/S2414314617003753","","","1.54178","CuKα","","0.0526","0.0515","","","0.1367","0.1379","","","","","","0.992","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545558","7.9086","0.0016","6.7115","0.001","22.64","0.003","90","","96.744","0.016","90","","1193.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one","","- C11 H5 Br2 Cl O3 -","- C11 H5 Br2 Cl O3 -","- C44 H20 Br8 Cl4 O12 -","4","1","HB4128","Yarbagi, K. M.; Chennuru, R.; Paul, D.; Venkateswara Rao, B.; Mahapatra, S.","6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one","IUCrData","2017","2","3","x170356","","10.1107/S241431461700356X","","","0.71073","MoKα","","0.0958","0.0352","","","0.0674","0.0744","","","","","","0.821","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545559","7.1044","0.001","10.5317","0.0015","12.2598","0.0017","108.078","0.004","93.481","0.005","101.484","0.004","847.1","0.2","200","2","200","","","","","","","","","5","P -1","-P 1","2","","5,6-Dibromo-1<i>H</i>-indole-2,3-dione","","- C8 H3 Br2 N O2 -","- C8 H3 Br2 N O2 -","- C32 H12 Br8 N4 O8 -","4","2","","Golen, James A.; Manke, David R.","5,6-Dibromo-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170355","","10.1107/S2414314617003558","","","0.71073","MoKα","","0.0266","0.0197","","","0.0443","0.047","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545560","4.7931","0.0007","10.4177","0.0015","33.685","0.005","90","","90","","90","","1682","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","","- C17 H16 Cl N5 O3 -","- C17 H16 Cl N5 O3 -","- C68 H64 Cl4 N20 O12 -","4","1","","Sun, Yanwen; Wu, Haolei; Wei, Changheng; Gao, Mei; Shen, Zeyi; Li, Hongsen","4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","IUCrData","2017","2","3","x170370","","10.1107/S2414314617003704","","","0.71073","MoKα","","0.0455","0.0409","","","0.0934","0.0962","","","","","","1.073","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545565","4.07206","0.00011","11.9589","0.0003","27.5626","0.0007","90","","90.306","0.002","90","","1342.21","0.06","291","2","291.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Benzoyl-7-methoxy-2<i>H</i>-chromen-2-one","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","HB4121","Li, Weijie; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru; Mao, Pu","3-Benzoyl-7-methoxy-2<i>H</i>-chromen-2-one","IUCrData","2017","2","3","x170373","","10.1107/S241431461700373X","","","1.54184","CuKα","","0.0515","0.0436","","","0.1126","0.1221","","","","","","1.072","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545566","6.646","0.0007","7.0733","0.0008","17.4356","0.0019","90","","90","","90","","819.63","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Potassium tetracyanidoaurate(III) monohydrate","","- C4 H2 Au K N4 O -","- C4 H2 Au K N4 O -","- C16 H8 Au4 K4 N16 O4 -","4","1","WM4042","Matsushita, Nobuyuki; Noguchi, Wataru; Tanaka, Rikako","Potassium tetracyanidoaurate(III) monohydrate: a redetermination","IUCrData","2017","2","3","x170382","","10.1107/S2414314617003820","","","0.71075","MoKα","","0.018","0.0151","","","0.0317","0.0335","","","","","","1.027","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:38",""
"1545567","7.8114","0.001","3.8832","0.0004","24.362","0.003","90","","99.055","0.005","90","","729.77","0.15","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Methyl-1<i>H</i>-indole-2,3-dione","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","SJ4097","Lyncee, Myrria-Tahisha A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","7-Methyl-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170378","","10.1107/S2414314617003789","","","0.71073","MoKα","","0.0452","0.0362","","","0.0841","0.0892","","","","","","1.085","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545585","7.5629","0.0019","8.205","0.002","20.587","0.005","90","","91.147","0.005","90","","1277.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","PK4014","Jiang, Yidong; Wang, Yifeng","Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate","IUCrData","2017","2","3","x170395","","10.1107/S2414314617003959","","","0.71073","MoKα","","0.0534","0.0434","","","0.1089","0.1158","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545586","22.8029","0.0015","9.9908","0.0007","9.3304","0.0006","90","","90.247","0.002","90","","2125.6","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol","","- C23 H32 N2 O -","- C23 H32 N2 O -","- C92 H128 N8 O4 -","4","1","VM4021","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol","IUCrData","2017","2","3","x170396","","10.1107/S2414314617003960","","","0.71073","MoKα","","0.1077","0.0696","","","0.1808","0.2145","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545587","9.8504","0.0004","8.5234","0.0004","10.312","0.0004","90","","109.673","0.001","90","","815.25","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2,2,4,4-Tetramethyl-3-(pyridin-2-yl)-1,3,2,4-diazadisiletidin-1-yl]pyridine","","- C14 H20 N4 Si2 -","- C14 H20 N4 Si2 -","- C28 H40 N8 Si4 -","2","0.5","SJ4098","Li, Rui; Duan, Xin-E; Cao, Wei; Wei, Xue-Hong","A pyridyl-substituted cyclodisilazane [(Apy)~2~(μ-SiMe)~2~] (ApyH~2~ = 2-aminopyridine)","IUCrData","2017","2","3","x170400","","10.1107/S241431461700400X","","","0.71073","MoKα","","0.035","0.0321","","","0.0867","0.0893","","","","","","0.99","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545620","7.1675","0.0004","8.8143","0.0006","10.6613","0.0007","91.968","0.004","96.362","0.003","94.745","0.003","666.46","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-3-methylpyridinium 2-carboxybenzoate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","BT4045","Sivakumar, P.; Anzline, C.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-3-methylpyridinium hydrogen phthalate","IUCrData","2017","2","3","x170422","","10.1107/S2414314617004229","","","0.71073","MoKα","","0.1254","0.0594","","","0.142","0.1891","","","","","","1.021","","","","has coordinates,has Fobs","194414","2020-10-21","18:00:00",""
"1545621","7.3834","0.0002","11.7331","0.0003","16.9144","0.0004","90","","101.731","0.001","90","","1434.69","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C16 H12 N2 O3 S -","- C16 H12 N2 O3 S -","- C64 H48 N8 O12 S4 -","4","1","SU4133","Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170315","","10.1107/S2414314617003157","","","1.54178","CuKα","","0.0634","0.0567","","","0.1596","0.1662","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545622","6.5995","0.0003","13.4865","0.0004","18.2435","0.0007","90","","90","","90","","1623.75","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C17 H24 Cl2 -","- C17 H24 Cl2 -","- C68 H96 Cl8 -","4","1","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene","IUCrData","2017","2","3","x170421","","10.1107/S2414314617004217","","","0.71073","MoKα","","0.074","0.0435","","","0.0891","0.1017","","","","","","1.019","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545623","9.4083","0.0003","9.514","0.0003","12.7168","0.0004","86.863","0.001","79.175","0.001","71.222","0.001","1058.5","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","7-Acetyl-8-(4-chlorophenyl)-3-ethylsulfanyl-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","","- C22 H23 Cl N2 O2 S -","- C22 H23 Cl N2 O2 S -","- C44 H46 Cl2 N4 O4 S2 -","2","1","SJ4096","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","7-Acetyl-8-(4-chlorophenyl)-3-ethylsulfanyl-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","IUCrData","2017","2","3","x170390","","10.1107/S241431461700390X","","","1.54178","CuKα","","0.0384","0.0354","","","0.0928","0.0957","","","","","","1.033","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545647","12.6867","0.0006","21.7492","0.001","8.1393","0.0004","90","","90.772","0.001","90","","2245.64","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(6-nitro-1<i>H</i>-indazol-1-yl)acetate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C88 H88 N24 O32 -","8","2","HB4127","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(6-nitro-1<i>H</i>-indazol-1-yl)acetate","IUCrData","2017","2","3","x170432","","10.1107/S2414314617004321","","","0.71073","MoKα","","0.0581","0.0505","","","0.1376","0.1419","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545648","17.57","0.003","6.3994","0.001","8.869","0.0015","90","","95.641","0.008","90","","992.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","","El Ouassif, Latifa; El Ghoul, Mostafa; Achour, Redouane; Saadi, Mohamed; El Ammari, Lahcen","3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol","IUCrData","2017","2","3","x170429","","10.1107/S2414314617004291","","","0.71073","MoKα","","0.0519","0.0437","","","0.1189","0.1262","","","","","","1.083","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545649","7.8931","0.0008","9.9295","0.001","10.2411","0.0011","101.751","0.001","105.968","0.002","109.482","0.001","687.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3<i>S</i>)-3,8-Dibromo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazapin-2-one","","- C15 H10 Br2 N2 O -","- C15 H10 Br2 N2 O -","- C30 H20 Br4 N4 O2 -","2","1","BH4023","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; Lahmidi, Sanae; Mohamed Abdelahi, Mohamed Mokhtar; Essassi, El Mokhtar; Mague, Joel T.","(3<i>S</i>)-3,8-Dibromo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazapin-2-one","IUCrData","2017","2","3","x170389","","10.1107/S2414314617003893","","","0.71073","MoKα","","0.0326","0.0282","","","0.0716","0.0731","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545650","7.412","0.002","10.963","0.004","11.07","0.004","105.124","0.018","95.633","0.018","104.398","0.017","828.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","PM_I_2C","<i>cis</i>-[3-(2-Chloro-6-methylquinolin-3-yl)oxiran-2-yl](<i>p</i>-tolyl)methanone","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C40 H32 Cl2 N2 O4 -","2","1","HB4122","Preveena, Narasimhamurthy; Hosamani, Amar A.; Praveen, Managutti; Nagendrappa, Gopalpur; Guru Row, Tayur N.","<i>cis</i>-[3-(2-Chloro-6-methylquinolin-3-yl)oxiran-2-yl](<i>p</i>-tolyl)methanone","IUCrData","2017","2","3","x170434","","10.1107/S2414314617004345","","","0.71073","MoKα","","0.0511","0.0422","","","0.1191","0.1244","","","","","","1.126","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545651","7.704","0.0018","9.325","0.002","25.54","0.006","90","","90","","90","","1834.8","0.7","296","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","","- C17 H18 Br N O5 -","- C17 H18 Br N O5 -","- C68 H72 Br4 N4 O20 -","4","1","XU4024","Meng, Chen-Hong; Xia, Ai-Bao","<i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","IUCrData","2017","2","3","x170412","","10.1107/S2414314617004126","","","0.71073","MoKα","","0.1034","0.0417","","","0.0805","0.0982","","","","","","0.997","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545652","7.4526","0.0017","7.9888","0.0019","10.692","0.002","85.916","0.01","80.181","0.01","65.237","0.01","569.6","0.2","200","2","200","","","","","","","","","6","P -1","-P 1","2","","Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium]","","- C8 H8 N Na O7 S -","- C8 H8 N Na O7 S -","- C16 H16 N2 Na2 O14 S2 -","2","1","WM4043","Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium]","IUCrData","2017","2","3","x170440","","10.1107/S2414314617004400","","","0.71073","MoKα","","0.0465","0.0339","","","0.0774","0.0825","","","","","","1.061","","","","has coordinates,has Fobs","194516","2020-10-21","18:00:00",""
"1545756","15.561","0.004","5.9415","0.0016","12.471","0.003","90","","92.799","0.003","90","","1151.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one","","- C14 H11 N O Se -","- C14 H11 N O Se -","- C56 H44 N4 O4 Se4 -","4","1","SU4145","Wang, Liyun; Xu, Ying; Guo, Zhiqiang; Wei, Xuehong","2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one","IUCrData","2017","2","4","x170532","","10.1107/S2414314617005326","","","0.71073","MoKα","","0.0331","0.0267","","","0.0694","0.0726","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1546291","13.7002","0.0002","13.7002","0.0002","19.4438","0.0004","90","","90","","90","","3649.51","0.11","","","","","","","","","","","","4","I 41/a","-I 4ad","88","silica clathrate sII","","chibaite","- Al0.024 Na0.015 O4 Si1.978 -","- C0.277647 O2 T -","- C18.88 O136 T68 -","68","","","Momma, K.; Ikeda, T.; Nishikubo, K.; Takahashi, N.; Honma, C.; Takada, M.; Furukawa, Y.; Nagase, T.; Kudoh, Y.","New silica clathrate minerals that are isostructural with natural gas hydrates","Nature Communications","2011","2","","1","7","10.1138/ncomms1196","","","","","","","","","","","","","","","","","","","","","has coordinates","197736","2020-10-21","18:00:00",""
"1546550","9.0845","0.001","5.3436","0.0005","15.3509","0.0015","90","","95.567","0.004","90","","741.68","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-bromobutoxy)benzene","","- C14 H20 Br2 O2 -","- C14 H20 Br2 O2 -","- C28 H40 Br4 O4 -","2","0.5","HB4156","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","1,4-Bis(4-bromobutoxy)benzene","IUCrData","2017","2","7","x171004","","10.1107/S2414314617010045","","","0.71073","MoKα","","0.0324","0.0237","","","0.0489","0.0517","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546551","7.4927","0.0006","15.2501","0.0019","8.5522","0.0009","90","","94.923","0.009","90","","973.61","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","","- C8 H9 N O2 S2 -","- C8 H9 N O2 S2 -","- C32 H36 N4 O8 S8 -","4","1","SU5381","Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean; Fiala, Abdelali; Brahim Ladouani, Hayet; Lemallem, Salah Eddine","Methyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","IUCrData","2017","2","7","x171018","","10.1107/S2414314617010185","","","0.7107","MoKα","","0.114","0.0583","","","0.1271","0.1545","","","","","","0.996","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546552","9.1211","0.0006","14.6521","0.0009","14.2448","0.0009","90","","104.037","0.001","90","","1846.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one","","- C20 H19 N3 O3 S -","- C20 H19 N3 O3 S -","- C80 H76 N12 O12 S4 -","4","1","ZQ4023","Ramli, Youssef; Guerrab, Walid; Moussaif, Ahmed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T.","3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one","IUCrData","2017","2","7","x171041","","10.1107/S2414314617010410","","","0.71073","MoKα","","0.0572","0.0456","","","0.1267","0.1355","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546553","8.8083","0.0011","6.6316","0.0009","15.068","0.002","90","","99.539","0.004","90","","868","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Creatininium phosphite","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium phosphite","","- C4 H10 N3 O4 P -","- C4 H10 N3 O4 P -","- C16 H40 N12 O16 P4 -","4","1","BT4053","Sindhusha, S.; Padma, C. M.; Gunasekaran, B.","Creatininium phosphite","IUCrData","2017","2","7","x171043","","10.1107/S2414314617010434","","","0.71073","MoKα","","0.105","0.0561","","","0.1311","0.1517","","","","","","1.097","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546554","3.7716","0.0006","10.3959","0.0015","12.328","0.0018","78.017","0.002","83.431","0.002","81.266","0.002","465.63","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Acetyl-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C22 H20 N4 O4 -","2","1","WM4051","Lahmidi, Sanae; Abad, Nadeem; Boulhaoua, Mohammed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","3-Acetyl-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one","IUCrData","2017","2","7","x170991","","10.1107/S2414314617009919","","","0.71073","MoKα","","0.0592","0.0488","","","0.1295","0.136","","","","","","0.997","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546555","7.4093","0.0004","7.9779","0.0003","8.625","0.0003","67.3","0.004","85.9","0.004","74.068","0.004","451.93","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(Ethoxycarbonothioylthio)propanoic acid","","- C6 H10 O3 S2 -","- C6 H10 O3 S2 -","- C12 H20 O6 S4 -","2","1","HG4023","Eyer, Lukas N.; McAdam, C. John; Simpson, Jim","2-(Ethoxycarbonothioylthio)propanoic acid","IUCrData","2017","2","7","x171035","","10.1107/S2414314617010355","","","1.54184","CuKα","","0.0485","0.0467","","","0.1253","0.128","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546587","14.6454","0.0008","12.0415","0.0005","15.1149","0.0009","90","","115.621","0.007","90","","2403.5","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C12 H13 Cl N2 O2 -","- C12 H13 Cl N2 O2 -","- C96 H104 Cl8 N16 O16 -","8","1","HB4159","El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2017","2","7","x171052","","10.1107/S2414314617010525","","","1.54184","CuKα","","0.052","0.0447","","","0.1191","0.1283","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546588","4.5801","0.0009","10.87","0.002","10.971","0.002","101.043","0.003","98.854","0.003","99.868","0.003","518.21","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","SJ4127","Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2017","2","7","x171057","","10.1107/S2414314617010574","","","0.71073","MoKα","","0.1079","0.0902","","","0.2708","0.2811","","","","","","1.028","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546589","16.376","0.002","9.9864","0.0014","36.605","0.005","90","","99.419","0.004","90","","5905.6","1.4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{2-[({[3-(dimethylazaniumyl)propyl]imino}methyl)phenyl]sulfanido}nickel(II) tetraphenylborate","","- C72 H76 B2 N4 Ni S2 -","- C72 H76 B2 N4 Ni S2 -","- C288 H304 B8 N16 Ni4 S8 -","4","0.5","BV4008","Meloccaro, Alexandra; Zimmerman, Joshua R.; Eichhorn, David M.","Bis{2-[({[3-(dimethylazaniumyl)propyl]imino}methyl)phenyl]sulfanido}nickel(II) tetraphenylborate","IUCrData","2017","2","7","x171067","","10.1107/S2414314617010677","","","0.71073","MoKα","","0.0932","0.0542","","","0.0983","0.1091","","","","","","1.046","","","","has coordinates,has Fobs","198923","2020-10-21","18:00:00",""
"1546627","7.167","0.002","8.726","0.003","13.947","0.004","90","","96.375","0.004","90","","866.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide)","","- C16 H18 N4 O2 Se2 -","- C16 H18 N4 O2 Se2 -","- C32 H36 N8 O4 Se4 -","2","0.5","HB4154","Guo, Zhiqiang; Wang, Yakong; Xu, Ying; Wei, Xuehong","2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide)","IUCrData","2017","2","6","x170882","","10.1107/S2414314617008823","","","0.71073","MoKα","","0.0358","0.0301","","","0.0742","0.0769","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546628","8.3161","0.0002","9.9302","0.0005","33.0414","0.0011","90","","90","","90","","2728.58","0.18","295","2","295","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate","","- C29 H45 N O5 -","- C29 H45 N O5 -","- C116 H180 N4 O20 -","4","1","FF4016","Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Hernández Linares, María-Guadalupe; Bernès, Sylvain","(3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate","IUCrData","2017","2","4","x170491","","10.1107/S2414314617004916","","","0.56083","AgKα","","0.0767","0.0439","","","0.0949","0.1065","","","","","","0.924","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546629","7.6932","0.0008","10.1152","0.0008","20.9336","0.0017","90","","90","","90","","1629","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cystosinium tartarate monohydrate","","- C12 H18 N6 O9 -","- C12 H18 N6 O9 -","- C48 H72 N24 O36 -","4","1","BX4005","Jaikumar, P.; Sundar, T. V.; Sharmila, N.; Balakrishnan, T.; Ramamurthi, K.","Hydrogen-bonding patterns in bis(cytosinium) tartarate monohydrate","IUCrData","2017","2","3","x170448","","10.1107/S2414314617004485","","","0.71073","MoKα","","0.0452","0.036","","","0.0819","0.0867","","","","","","1.11","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546630","3.8919","0.0001","20.4831","0.0006","11.258","0.0004","90","","92.757","0.001","90","","896.43","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(6-Nitro-1<i>H</i>-indazol-1-yl)ethanone","","- C9 H7 N3 O3 -","- C9 H7 N3 O3 -","- C36 H28 N12 O12 -","4","1","LH4020","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; El Karkour, Meryeme; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-(6-Nitro-1<i>H</i>-indazol-1-yl)ethanone","IUCrData","2017","2","6","x170831","","10.1107/S2414314617008318","","","1.54178","CuKα","","0.0628","0.0496","","","0.1304","0.1403","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546631","9.9251","0.0004","12.2293","0.0004","15.1738","0.0005","84.318","0.002","78.538","0.002","89.88","0.002","1795.86","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Methyl-5,6-diphenyl-1<i>H</i>-pyrazolo[1,2-<i>a</i>]cinnolin-1-one","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","2","SU4146","Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma","3-Methyl-5,6-diphenyl-1<i>H</i>-pyrazolo[1,2-<i>a</i>]cinnolin-1-one","IUCrData","2017","2","4","x170534","","10.1107/S241431461700534X","","","0.71073","MoKα","","0.0663","0.0452","","","0.1122","0.1252","","","","","","1.014","","","","has coordinates,has Fobs","199225","2020-10-21","18:00:00",""
"1546632","8.3013","0.0005","13.1934","0.0008","15.3583","0.0009","103.241","0.003","105.47","0.003","93.046","0.003","1566.3","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate","","- C15 H16 N3 O3.5 S -","- C15 H16 N3 O3.5 S -","- C60 H64 N12 O14 S4 -","4","2","TK4031","Bouissane, Latifa; Mojahidi, Souad; Rakib, El Mostapha; Chicha, Hakima; Saadi, Mohamed; El Ammari, Lahcen","4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate","IUCrData","2017","2","5","x170645","","10.1107/S2414314617006459","","","0.71073","MoKα","","0.0655","0.0428","","","0.1099","0.1258","","","","","","1.009","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546633","8.2805","0.0003","8.6053","0.0003","12.2396","0.0004","103.519","0.003","99.935","0.003","105.188","0.003","792.56","0.05","100","","100","0.1","","","","","","","","5","P -1","-P 1","2","","3,5-Bis(trifluoromethyl)phenyl 4-methylbenzenesulfonate","","- C15 H10 F6 O3 S -","- C15 H10 F6 O3 S -","- C30 H20 F12 O6 S2 -","2","1","BT4055","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","3,5-Bis(trifluoromethyl)phenyl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170981","","10.1107/S2414314617009816","","","0.71073","MoKα","","0.0361","0.0298","","","0.0781","0.0802","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546634","17.5297","0.0008","12.1853","0.0006","12.0781","0.0004","90","","90","","90","","2579.94","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione","","- C33 H27 N O2 -","- C33 H27 N O2 -","- C132 H108 N4 O8 -","4","1","HB4132","Varadharajan, E.; Ramkumar, V.; Scholastica, M. V. B.; Augustine, Arul Prasad T.","3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione","IUCrData","2017","2","4","x170581","","10.1107/S2414314617005818","","","0.71073","MoKα","","0.0437","0.034","","","0.0782","0.0843","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546635","4.3949","0.0004","9.9144","0.0008","13.1376","0.0011","98.481","0.001","90.755","0.001","97.377","0.001","561.19","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-Chloro-3-(6-nitro-1<i>H</i>-indazol-1-yl)propan-2-ol","","- C10 H10 Cl N3 O3 -","- C10 H10 Cl N3 O3 -","- C20 H20 Cl2 N6 O6 -","2","1","SJ4104","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-Chloro-3-(6-nitro-1<i>H</i>-indazol-1-yl)propan-2-ol","IUCrData","2017","2","5","x170637","","10.1107/S241431461700637X","","","0.71073","MoKα","","0.0652","0.0467","","","0.144","0.1512","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546636","9.0503","0.0007","5.9762","0.0005","16.3508","0.0012","90","","102.732","0.001","90","","862.61","0.12","103","","103","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-[(<i>R</i>)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C42 H38 N6 O4 -","2","1","ZQ4021","Moriwaki, Ryoji; Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro","6-[(<i>R</i>)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one","IUCrData","2017","2","7","x170979","","10.1107/S2414314617009798","","","0.71073","MoKα","","0.0321","0.0307","","","0.0726","0.0735","","","","","","1.035","","","","has coordinates,has Fobs","199230","2020-10-21","18:00:00",""
"1546637","8.7453","0.0013","8.6888","0.001","9.2511","0.0011","90","","95.936","0.008","90","","699.19","0.16","92","2","92","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","LH4018","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate","IUCrData","2017","2","4","x170500","","10.1107/S2414314617005004","","","0.71073","MoKα","","0.0503","0.0449","","","0.0948","0.0981","","","","","","1.088","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546638","9.7437","0.0003","12.2437","0.0003","26.8215","0.001","90","","90","","90","","3199.78","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a]</i>phenanthrene-3,7,12-triyl triacetate","","- C33 H48 O8 -","- C33 H48 O8 -","- C132 H192 O32 -","4","1","","Kavitha, T.; Anandkumar, Devaraj; Rajakumar, Perumal; Bargavi, Srinivasan; Lakshmi, Srinivasakannan","(3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-3,7,12-triyl triacetate","IUCrData","2017","2","3","x170436","","10.1107/S2414314617004369","","","0.71073","MoKα","","0.048","0.0349","","","0.0806","0.089","","","","","","0.975","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546639","7.1335","0.0005","10.6863","0.0005","11.883","0.0006","99.856","0.004","93.53","0.005","101.937","0.005","868.75","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3'-(Hexane-1,6-diyl)bis(1-vinyl-4-imidazoline-2-thione)","","- C16 H22 N4 S2 -","- C16 H22 N4 S2 -","- C32 H44 N8 S4 -","2","1","SU4149","Partl, Gabriel; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig","3,3'-(Hexane-1,6-diyl)bis(1-vinyl-4-imidazoline-2-thione)","IUCrData","2017","2","4","x170599","","10.1107/S2414314617005995","","","0.71073","MoKα","","0.0328","0.0287","","","0.0694","0.0718","","","","","","1.054","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546640","6.8116","0.0002","7.2402","0.0002","13.4826","0.0003","96.943","0.002","90.862","0.002","106.139","0.002","633.21","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Oxo-2<i>H</i>-chromen-3-yl 4-fluorobenzoate","","- C16 H9 F O4 -","- C16 H9 F O4 -","- C32 H18 F2 O8 -","2","1","HB7657","Ziki, Eric; Sosso, Siaka; Cissé, Lamine; Bany, Guy Euloge; Djandé, Abdoulaye; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-3-yl 4-fluorobenzoate","IUCrData","2017","2","4","x170550","","10.1107/S2414314617005508","","","1.54184","CuKα","","0.0394","0.0355","","","0.0963","0.0998","","","","","","1.092","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546641","7.307","0.0011","8.7763","0.0013","11.2927","0.0013","91.059","0.011","107.867","0.012","109.814","0.014","642.36","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Prop-2-ynyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C32 H22 N2 O6 -","2","1","VM4026","Filali Baba, Yassir; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","Prop-2-ynyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate","IUCrData","2017","2","7","x171072","","10.1107/S2414314617010720","","","1.54184","CuKα","","0.0738","0.0487","","","0.1181","0.1417","","","","","","1.019","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546642","6.2315","0.0003","15.5466","0.0008","18.9162","0.001","90","","98.845","0.001","90","","1810.78","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C20 H17 Cl N2 O3 S -","- C20 H17 Cl N2 O3 S -","- C80 H68 Cl4 N8 O12 S4 -","4","1","WM4044","Ellouz, Mohamed; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","(2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","5","x170646","","10.1107/S2414314617006460","","","0.71073","MoKα","","0.0504","0.0408","","","0.1175","0.1229","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546643","13.9601","0.0002","11.1172","0.0002","16.7313","0.0003","90","","96.019","0.001","90","","2582.34","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C128 H120 N8 O16 -","4","1","RZ4014","Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan","5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione","IUCrData","2017","2","5","x170639","","10.1107/S2414314617006393","","","0.71073","MoKα","","0.0831","0.0445","","","0.1093","0.1296","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546644","27.4679","0.0006","9.5818","0.0002","20.2584","0.0005","90","","117.398","0.001","90","","4733.78","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Methyl 2-{[(6<i>S*</i>,7<i>R*</i>,8<i>S*</i>)-7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate","","- C23 H23 Cl N2 O4 S -","- C23 H23 Cl N2 O4 S -","- C184 H184 Cl8 N16 O32 S8 -","8","1","SU4155","Mague, Joel T.; Al-Taifi, Elham A.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.","Methyl 2-{[(6<i>S*</i>,7<i>R*</i>,8<i>S*</i>)-7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate","IUCrData","2017","2","6","x170868","","10.1107/S2414314617008689","","","1.54178","CuKα","","0.0604","0.0575","","","0.1625","0.1656","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","199238","2020-10-21","18:00:00",""
"1546645","13.6968","0.0012","12.1053","0.001","9.6353","0.0007","90","","105.17","0.003","90","","1541.9","0.2","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C56 H80 N8 O20 -","4","1","HB4140","Sivakumar, P.; Ezhamani, G.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate","IUCrData","2017","2","5","x170649","","10.1107/S2414314617006496","","","0.71073","MoKα","","0.0933","0.0461","","","0.1117","0.1329","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546646","22.569","0.006","5.1097","0.0013","13.497","0.003","90","","90","","90","","1556.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione","","- C15 H20 Br N3 O2 -","- C15 H20 Br N3 O2 -","- C60 H80 Br4 N12 O8 -","4","1","ZQ4022","Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione","IUCrData","2017","2","7","x170984","","10.1107/S2414314617009841","","","0.71073","MoKα","","0.0917","0.068","","","0.1472","0.156","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546647","5.3483","0.0001","14.1861","0.0004","19.1408","0.0005","90","","97.451","0.001","90","","1439.98","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-1,3-benzodiazole","","- C17 H15 N5 -","- C17 H15 N5 -","- C68 H60 N20 -","4","1","VM4024","Sahbi, Azzeddine; Fichtali, Ismail; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Kandri Rodi, Youssef","1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-1,3-benzodiazole","IUCrData","2017","2","6","x170944","","10.1107/S2414314617009440","","","1.54178","CuKα","","0.0477","0.0398","","","0.0919","0.0974","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546648","11.6978","0.0006","7.1331","0.0004","21.1822","0.0012","90","","95.311","0.004","90","","1759.89","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Diethyl-2-[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C68 H80 N8 O16 S4 -","4","1","HB4137","Viswanathan, Vijayan; Yasmin, Sabina; Jayaprakash, Venkatesan; Velmurugan, Devadasan","<i>N</i>,<i>N</i>-Diethyl-2-[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide","IUCrData","2017","2","5","x170716","","10.1107/S2414314617007167","","","0.71073","MoKα","","0.1993","0.0541","","","0.1379","0.2116","","","","","","0.844","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546649","9.784","0.001","10.291","0.001","21.58","0.02","90","","99.528","0.011","90","","2143","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Methoxyphenyl)-4-methyl-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","BT4049","Archana, K.; Saravanan, K.; Lakshmithendral, K.; Kabilan, S.; Selvanayagam, S.","3-(4-Methoxyphenyl)-4-methyl-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide","IUCrData","2017","2","5","x170721","","10.1107/S2414314617007210","","","0.71073","MoKα","","0.0789","0.057","","","0.1562","0.1783","","","","","","1.06","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546650","5.8882","0.0007","16.418","0.003","18.894","0.003","90","","95.016","0.005","90","","1819.5","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8-Hydroxy-3,4-bis(4-methoxyphenyl)-1<i>H</i>-isochromen-1-one","","- C23 H18 O5 -","- C23 H18 O5 -","- C92 H72 O20 -","4","1","SU4147","Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma","8-Hydroxy-3,4-bis(4-methoxyphenyl)-1<i>H</i>-isochromen-1-one","IUCrData","2017","2","4","x170535","","10.1107/S2414314617005351","","","0.71073","MoKα","","0.1491","0.0613","","","0.1486","0.1974","","","","","","1.01","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546651","12.035","0.0005","24.5052","0.0009","4.9909","0.0002","90","","90","","90","","1471.92","0.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","SJ4112","Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile","IUCrData","2017","2","5","x170706","","10.1107/S2414314617007064","","","1.54178","CuKα","","0.0484","0.0446","","","0.1108","0.1139","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546652","20.4402","0.0006","20.4402","0.0006","5.7266","0.0004","90","","90","","90","","2392.58","0.19","173","2","173","2","","","","","","","","4","I -4","I -4","82","","(Benzylthiolato-κ<i>S</i>)phenylmercury(II)","","- C13 H12 Hg S -","- C13 H12 Hg S -","- C104 H96 Hg8 S8 -","8","1","SJ4103","Nath, Paras; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P.","(Benzylthiolato-κS)phenylmercury(II)","IUCrData","2017","2","4","x170503","","10.1107/S241431461700503X","","","0.71073","MoKα","","0.0428","0.0351","","","0.07","0.0749","","","","","","1.042","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:38",""
"1546653","26.407","0.001","14.3718","0.0005","12.9624","0.0005","90","","108.312","0.002","90","","4670.3","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Di-<i>n</i>-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C24 H38 N2 O2 -","- C24 H38 N2 O2 -","- C192 H304 N16 O16 -","8","1","HG4021","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1,4-Di-<i>n</i>-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","4","x170520","","10.1107/S241431461700520X","","","1.54178","CuKα","","0.1128","0.072","","","0.1763","0.2028","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546654","33.5367","0.0015","5.5506","0.0002","14.7248","0.0007","90","","96.873","0.002","90","","2721.3","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-[5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium perchlorate","","- C12 H9 Cl N4 O4 S -","- C12 H9 Cl N4 O4 S -","- C96 H72 Cl8 N32 O32 S8 -","8","1","SU4143","Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","2-[5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium perchlorate","IUCrData","2017","2","3","x170465","","10.1107/S2414314617004655","","","0.71073","MoKα","","0.0568","0.0382","","","0.0976","0.1113","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546655","14.054","0.0011","11.2639","0.0006","9.6184","0.0005","90","","90","","90","","1522.62","0.16","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","BH4024","González, Gerardo García; Unnamatla, M. V. Basavanag","9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline","IUCrData","2017","2","3","x170445","","10.1107/S241431461700445X","","","0.71073","MoKα","","0.0607","0.0559","","","0.1484","0.1539","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546656","6.9243","0.0006","7.7262","0.0008","11.8168","0.0006","84.55","0.006","81.852","0.006","83.023","0.008","619.22","0.09","298","0.2","298","0.2","","","","","","","","3","P -1","-P 1","2","","2-Oxo-2<i>H</i>-chromen-3-yl benzoate","","- C16 H10 O4 -","- C16 H10 O4 -","- C32 H20 O8 -","2","1","HB4144","Kambo, Konan René; Sosso, Siaka; Mansilla-Koblavi, F.; Djandé, Abdoulaye; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-3-yl benzoate","IUCrData","2017","2","5","x170663","","10.1107/S2414314617006630","","","0.71073","MoKα","","0.075","0.0509","","","0.1412","0.1589","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546657","4.9634","0.0001","14.0708","0.0003","25.7168","0.0006","90","","90.602","0.001","90","","1795.94","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate","","- C22 H18 N3 O3.5 -","- C22 H18 N3 O3.5 -","- C88 H72 N12 O14 -","4","1","VM4025","Filali Baba, Yassir; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","(Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate","IUCrData","2017","2","7","x171038","","10.1107/S2414314617010380","","","1.54178","CuKα","","0.066","0.0471","","","0.0959","0.1056","","","","","","1.036","","","","has coordinates,has Fobs","199251","2020-10-21","18:00:00",""
"1546658","13.9866","0.0006","7.9972","0.0004","23.122","0.001","90","","90","","90","","2586.3","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone","","- C12 H13 Cl2 N O2 -","- C12 H13 Cl2 N O2 -","- C96 H104 Cl16 N8 O16 -","8","1","SU4151","Mohamooda Sumaya, U.; Reuben Jonathan, D.; Era, Dravida Thendral; Gomathi, S.; Usha, G.","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone: crystal structure and Hirshfeld analysis","IUCrData","2017","2","6","x170813","","10.1107/S2414314617008136","","","0.71073","MoKα","","0.0979","0.0483","","","0.1258","0.1638","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546659","13.357","0.003","9.209","0.002","16.743","0.004","90","","113.277","0.003","90","","1891.8","0.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C80 H120 N8 O8 -","4","0.5","HB4157","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","7","x171019","","10.1107/S2414314617010197","","","0.71073","MoKα","","0.0929","0.0615","","","0.1704","0.196","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546660","33.8411","0.0007","4.7106","0.0001","18.0987","0.0004","90","","90.47","0.001","90","","2885.05","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-2-Benzylidene-4-octadecyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C33 H47 N O S -","- C33 H47 N O S -","- C132 H188 N4 O4 S4 -","4","1","ZQ4019","Sebbar, Nada Kheira; Ellouz, Mohamed; Lahmidi, Sanae; Hlimi, Fouzia; Essassi, El Mokhtar; Mague, Joel T.","(2<i>Z</i>)-2-Benzylidene-4-octadecyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","5","x170695","","10.1107/S2414314617006952","","","1.54178","CuKα","","0.0544","0.0456","","","0.1134","0.1195","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546661","5.7619","0.0002","22.1304","0.0006","13.6271","0.0004","90","","99.102","0.001","90","","1715.75","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[4,5-Diphenyl-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-yl]ethanol","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","BT4037","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Albayati, Mustafa R.","2-[4,5-Diphenyl-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-yl]ethanol","IUCrData","2017","2","1","x170132","","10.1107/S2414314617001328","","","1.54178","CuKα","","0.0485","0.0381","","","0.0848","0.0903","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546662","8.5878","0.0008","9.0603","0.0008","12.8566","0.0012","85.076","0.007","82.558","0.007","70.917","0.008","936.4","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(Cyclohex-1-en-1-yl)-3-[(1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C22 H21 N5 O -","- C22 H21 N5 O -","- C44 H42 N10 O2 -","2","1","","Adardour, Mohamed; Loughzail, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam; Berraho, Moha","1-(Cyclohex-1-en-1-yl)-3-[(1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","IUCrData","2017","2","6","x170907","","10.1107/S2414314617009075","","","0.71073","MoKα","","0.0714","0.0535","","","0.1285","0.1428","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546663","9.968","0.004","15.529","0.006","10.119","0.004","90","","102.558","0.009","90","","1528.9","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","(<i>E</i>)-<i>N</i>-(1<i>H</i>-Pyrrol-2-ylmethylidene)-2-{[(<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]methyl}aniline","","","- C17 H16 N4 -","- C17 H16 N4 -","- C68 H64 N16 -","4","2","SU4142","Raghuvarman, B.; Gayathri, Jayagopi; Selvan, Kumar Sangeetha; Sugumar, P.; Ponnuswamy, M. N.","(<i>E</i>)-<i>N</i>-(1<i>H</i>-Pyrrol-2-ylmethylidene)-2-{[(<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]methyl}aniline","IUCrData","2017","2","4","x170540","","10.1107/S2414314617005405","","","0.71073","MoKα","","0.0905","0.0433","","","0.0759","0.0915","","","","","","0.988","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546664","12.8083","0.0008","14.637","0.001","18.9082","0.0012","106.916","0.002","98.406","0.002","110.635","0.002","3048.9","0.4","147","2","147","2","","","","","","","","8","P 1","P 1","1","","Chloridocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(diphenylphosphanyl)ethyl]-<i>N</i>'-[2-(dicyclohexylphosphanyl)ethylidenyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate","","- C67 H72 B Br Fe N2 O P2 -","- C67 H72 B Br Fe N2 O P2 -","- C134 H144 B2 Br2 Fe2 N4 O2 P4 -","2","2","HB4129","Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Bromidocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(dicyclohexylphosphanyl)ethylidenyl]-<i>N</i>'-[2-(diphenylphosphanyl)ethyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate","IUCrData","2017","2","3","x170452","","10.1107/S2414314617004527","","","0.71073","MoKα","","0.0544","0.0403","","","0.0834","0.0892","","","","","","1.039","","","","has coordinates,has Fobs","199258","2020-10-21","18:00:00",""
"1546665","9.4093","0.0003","10.5822","0.0004","12.2844","0.0005","90","","107.64","0.001","90","","1165.66","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>R</i>)-3-(<i>tert</i>-Butoxycarbonyl)-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide","","- C8 H15 N O5 S -","- C8 H15 N O5 S -","- C32 H60 N4 O20 S4 -","4","2","HB4152","Laus, Gerhard; Wurst, Klaus; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig","(<i>R</i>)-3-(<i>tert</i>-Butoxycarbonyl)-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide","IUCrData","2017","2","6","x170869","","10.1107/S2414314617008690","","","0.71073","MoKα","","0.0293","0.0271","","","0.072","0.0732","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546666","5.6382","0.0011","13.622","0.003","20.662","0.004","90","","92.289","0.006","90","","1585.6","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Chloropyridin-3-yl)quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione chloroform monosolvate","","- C14 H9 Cl4 N3 O2 -","- C14 H9 Cl4 N3 O2 -","- C56 H36 Cl16 N12 O8 -","4","1","","Riad, Noura M.; Zlotos, Darius P.; Holzgrabe, Ulrike","3-(2-Chloropyridin-3-yl)quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione chloroform monosolvate","IUCrData","2017","2","4","x170580","","10.1107/S2414314617005806","","","0.71073","MoKα","","0.05","0.0399","","","0.1008","0.1085","","","","","","1.082","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546667","8.6864","0.0006","8.9925","0.0006","10.9872","0.0007","110.653","0.001","95.111","0.001","104.723","0.001","761.42","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-4-(2-Oxopropylidene)-1,3-bis(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","SJ4101","Sebhaoui, Jihad; El Bakri, Youness; Rayni, Ibtissam; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-(2-Oxopropylidene)-1,3-bis(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2017","2","4","x170493","","10.1107/S241431461700493X","","","0.71073","MoKα","","0.0541","0.0447","","","0.1235","0.1282","","","","","","1.086","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546668","6.9617","0.0017","7.5941","0.0019","9.464","0.002","86.06","0.02","82.118","0.019","67.102","0.018","456.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-Allyl-2-methylpyridinium chloride","","- C9 H12 Cl N -","- C9 H12 Cl N -","- C18 H24 Cl2 N2 -","2","1","HB4138","Bentivoglio, Gino; Laus, Gerhard; Kahlenberg, Volker; Röder, Thomas; Schottenberger, Herwig","1-Allyl-2-methylpyridinium chloride","IUCrData","2017","2","4","x170598","","10.1107/S2414314617005983","","","0.71073","MoKα","","0.0328","0.0276","","","0.065","0.0669","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546669","10.721","0.0002","13.7039","0.0002","11.5761","0.0002","90","","107.032","0.0006","90","","1626.16","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1-Benzyl-2,5-dimethyl-4-phenyl-1<i>H</i>-pyrrol-3-yl)ethanone","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","RZ4016","Louroubi, Abdelhadi; Outouch, Rachid; Ait Ali, Mustapha; Spannenberg, Anke; El Firdoussi, Larbi","1-(1-Benzyl-2,5-dimethyl-4-phenyl-1<i>H</i>-pyrrol-3-yl)ethanone","IUCrData","2017","2","6","x170895","","10.1107/S2414314617008951","","","0.71073","MoKα","","0.0433","0.0383","","","0.099","0.1039","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546670","20.333","0.0004","14.2764","0.0003","4.5089","0.0001","90","","90","","90","","1308.85","0.05","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","","- C13 H12 N6 O2 -","- C13 H12 N6 O2 -","- C52 H48 N24 O8 -","4","1","SJ4100","Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Gaamoussi, Issam; Ouzidan, Younes","4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","IUCrData","2017","2","4","x170515","","10.1107/S2414314617005156","","","1.54178","CuKα","","0.0329","0.0292","","","0.0673","0.0697","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546671","14.8643","0.0006","7.6795","0.0004","12.069","0.0005","90","","108.465","0.004","90","","1306.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromo-2-(4-methoxyphenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C14 H12 Br N3 O -","- C14 H12 Br N3 O -","- C56 H48 Br4 N12 O4 -","4","1","SJ4128","Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; El Hadrami, El Mestafa; Essassi, El Mokhtar","6-Bromo-2-(4-methoxyphenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2017","2","7","x171071","","10.1107/S2414314617010719","","","1.54184","CuKα","","0.0509","0.039","","","0.0972","0.1072","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546672","3.8872","0.0001","6.8386","0.0003","13.6279","0.0005","90","","93.303","0.002","90","","361.67","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 5-methylpyrazine-2-carboxylate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C14 H16 N4 O4 -","2","1","SJ4126","Rillema, D. Paul; KomReddy, Venugopal; Senaratne, Nilmini K.; Eichhorn, David M.","Methyl 5-methylpyrazine-2-carboxylate","IUCrData","2017","2","7","x170997","","10.1107/S241431461700997X","","","0.71073","MoKα","","0.0303","0.029","","","0.0817","0.0827","","","","","","1.137","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546673","9.2518","0.0002","10.3432","0.0002","38.5674","0.0007","90","","90","","90","","3690.64","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","","- C22 H14 Cl N O2 S -","- C22 H14 Cl N O2 S -","- C176 H112 Cl8 N8 O16 S8 -","8","1","SJ4110","Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","IUCrData","2017","2","5","x170677","","10.1107/S2414314617006770","","","0.71073","MoKα","","0.0742","0.047","","","0.1117","0.1275","","","","","","1.021","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546674","29.2234","0.0004","8.3076","0.0002","31.0407","0.0005","90","","101.859","0.002","90","","7375.1","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C352 H272 Cl16 N32 O32 -","16","2","SJ4123","El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2017","2","6","x170901","","10.1107/S2414314617009014","","","1.54184","CuKα","","0.069","0.0527","","","0.144","0.1562","","","","","","1.042","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546675","7.4984","0.0003","16.2805","0.0007","8.3363","0.0003","90","","97.403","0.004","90","","1009.19","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-1-ethyl-6-nitro-1<i>H</i>-indazole","","- C9 H8 Cl N3 O2 -","- C9 H8 Cl N3 O2 -","- C36 H32 Cl4 N12 O8 -","4","1","HB4155","Mohamed Abdelahi, Mohamed Mokhtar; Sebbar, Nada Kheira; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar; Benchidmi, Mohammed","3-Chloro-1-ethyl-6-nitro-1<i>H</i>-indazole","IUCrData","2017","2","7","x170972","","10.1107/S2414314617009725","","","1.54184","CuKα","","0.0513","0.0418","","","0.1062","0.1158","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546676","9.6036","0.0002","10.806","0.0003","11.4686","0.0003","108.617","0.002","100.558","0.002","109.477","0.0012","1005.91","0.05","103","2","103","2","","","","","","","","3","P -1","-P 1","2","Dodecaallylhexasilacyclohexane","1,1,2,2,3,3,4,4,5,5,6,6-Dodecaallylhexasilinane","","- C36 H60 Si6 -","- C36 H60 Si6 -","- C36 H60 Si6 -","1","0.5","WM4048","Mizuhata, Yoshiyuki; Omatsu, Yamato; Tokitoh, Norihiro","Dodecaallylhexasilacyclohexane","IUCrData","2017","2","6","x170807","","10.1107/S2414314617008070","","","0.71075","MoKα","","0.0347","0.0324","","","0.0869","0.0886","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546677","11.1688","0.0002","9.0576","0.0002","11.9237","0.0002","90","","106.77","0.001","90","","1154.93","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Fluoro-1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>S</i>,9<i>R</i>)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C23 H25 F N4 O7 -","- C23 H25 F N4 O7 -","- C46 H50 F2 N8 O14 -","2","1","HB4145","Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; El Hadrami, El Mestafa; Essassi, El Mokhtar","5-Fluoro-1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>S</i>,9<i>R</i>)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","5","x170739","","10.1107/S2414314617007398","","","1.54178","CuKα","","0.0325","0.0304","","","0.0723","0.0739","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546678","16.158","0.003","3.996","0.0006","17.551","0.003","90","","115.316","0.005","90","","1024.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7-Dibromo-8-methoxyquinoline","","- C10 H7 Br2 N O -","- C10 H7 Br2 N O -","- C40 H28 Br8 N4 O4 -","4","1","HB4142","Çelik, Ísmail; Ökten, Salih; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Çakmak, Osman; Özbakır, Rana","5,7-Dibromo-8-methoxyquinoline","IUCrData","2017","2","5","x170643","","10.1107/S2414314617006435","","","0.71073","MoKα","","0.0456","0.0276","","","0.0532","0.0589","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546679","8.5948","0.0015","10.1942","0.0016","10.2572","0.0017","74.93","0.007","75.306","0.007","89.866","0.007","837.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-Acetyl-4-(2,5-dimethoxyphenyl)-6-methyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","1","SU4154","Kaoukabi, Hanane; Taourirte, Moha; El Azhari, Mohamed; Lazrek, Hassan B.; Saadi, Mohamed; El Ammari, Lahcen","5-Acetyl-4-(2,5-dimethoxyphenyl)-6-methyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","IUCrData","2017","2","6","x170816","","10.1107/S2414314617008161","","","0.71073","MoKα","","0.0573","0.0485","","","0.1361","0.1472","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546680","8.8898","0.0008","8.9885","0.0009","12.1973","0.001","89.908","0.008","84.49","0.007","63.534","0.009","867.53","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-4-<i>n</i>-Butyl-2-(4-chlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C19 H18 Cl N O S -","- C19 H18 Cl N O S -","- C38 H36 Cl2 N2 O2 S2 -","2","1","SJ4118","Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-4-<i>n</i>-Butyl-2-(4-chlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","IUCrData","2017","2","6","x170870","","10.1107/S2414314617008707","","","1.54184","CuKα","","0.057","0.0494","","","0.1362","0.1458","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546681","3.8145","0.0003","12.4829","0.001","17.4438","0.0015","90","","90","","90","","830.6","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,6-Dichloro-4-nitrotoluene","1,3-Dichloro-2-methyl-5-nitrobenzene","","- C7 H5 Cl2 N O2 -","- C7 H5 Cl2 N O2 -","- C28 H20 Cl8 N4 O8 -","4","1","LH4019","Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Jeannin, Olivier; Meinnel, Jean","2,6-Dichloro-4-nitrotoluene","IUCrData","2017","2","5","x170672","","10.1107/S2414314617006721","","","0.7107","MoKα","","0.0327","0.0301","","","0.0645","0.0659","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546682","7.7711","0.0006","10.9897","0.0011","11.409","0.0011","112.013","0.009","109.259","0.008","98.12","0.007","812.78","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-2-Benzylidene-3-<i>n</i>-butoxy-2<i>H</i>-1,4-benzothiazine","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","SJ4120","Sebbar, Nada Kheira; Ellouz, Mohamed; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-2-Benzylidene-3-<i>n</i>-butoxy-2<i>H</i>-1,4-benzothiazine","IUCrData","2017","2","6","x170890","","10.1107/S2414314617008902","","","1.54184","CuKα","","0.0587","0.0484","","","0.1308","0.1402","","","","","","1.049","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546683","11.2363","0.0007","7.4063","0.0005","12.1247","0.0008","90","","111.051","0.001","90","","941.67","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole","","- C9 H8 Cl N3 O2 -","- C9 H8 Cl N3 O2 -","- C36 H32 Cl4 N12 O8 -","4","1","SJ4109","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Minnih, Mohamed Said; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole","IUCrData","2017","2","5","x170652","","10.1107/S2414314617006526","","","0.71073","MoKα","","0.0409","0.0361","","","0.1004","0.1028","","","","","","1.131","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546684","18.2838","0.0013","7.7956","0.0006","11.8081","0.0008","90","","100.393","0.003","90","","1655.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-4-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","SJ4116","Ghandour, Ismail; Mague, Joel T.; Bouayad, Abdelouahed; Chakroune, Said; Essassi, El Mokhtar; Kandri Rodi, Youssef","5-Methyl-4-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","IUCrData","2017","2","6","x170853","","10.1107/S2414314617008537","","","1.54178","CuKα","","0.0381","0.0354","","","0.0906","0.093","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546685","8.1093","0.0003","9.1624","0.0005","14.6575","0.0007","90","","94.241","0.003","90","","1086.08","0.09","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Allyl-2,3-cyclopentenopyridinium chloride","","- C11 H14 Cl N -","- C11 H14 Cl N -","- C44 H56 Cl4 N4 -","4","1","SJ4107","Partl, Gabriel; Bentivoglio, Gino; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1-Allyl-2,3-cyclopentenopyridinium chloride","IUCrData","2017","2","5","x170669","","10.1107/S2414314617006691","","","0.71073","MoKα","","0.0436","0.0343","","","0.0857","0.0919","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546686","19.6067","0.0006","5.5438","0.0002","14.0069","0.0005","90","","99.911","0.002","90","","1499.77","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-Dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(prop-2-en-1-yl)-1<i>H</i>-1,3-benzodiazole","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","HG4022","Benyahya, Mohamed Ali; El Azzaoui, Brahim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","5,6-Dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(prop-2-en-1-yl)-1<i>H</i>-1,3-benzodiazole","IUCrData","2017","2","7","x170647","","10.1107/S2414314617006472","","","1.54178","CuKα","","0.0674","0.0465","","","0.1003","0.1112","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546687","7.133","0.0009","8.1155","0.0011","17.798","0.002","87.747","0.002","81.84","0.002","87.849","0.002","1018.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-4-Chloro-<i>N</i>-{3-[(4-chlorophenyl)sulfonyl]-2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene}benzenesulfonamide","","- C19 H12 Cl2 N2 O4 S3 -","- C19 H12 Cl2 N2 O4 S3 -","- C38 H24 Cl4 N4 O8 S6 -","2","1","WM4046","Watkins, Sydney M.; Hagen, Timothy J.; Perkins, Timothy S.; Zheng, Chong","(<i>Z</i>)-4-Chloro-<i>N</i>-{3-[(4-chlorophenyl)sulfonyl]-2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene}benzenesulfonamide","IUCrData","2017","2","6","x170865","","10.1107/S2414314617008653","","","0.71073","MoKα","","0.0382","0.0361","","","0.0943","0.0959","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546688","13.1047","0.0016","4.031","0.0004","15.7631","0.0018","90","","105.72","0.004","90","","801.54","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Dibromo-6-methylpyridin-2-amine","","- C6 H6 Br2 N2 -","- C6 H6 Br2 N2 -","- C24 H24 Br8 N8 -","4","1","HB4147","Krishna Murthy, P.; Sreenivasa Rao, R.; Suneetha, V.; Giri, L.; Suchetan, P. A.","3,5-Dibromo-6-methylpyridin-2-amine","IUCrData","2017","2","5","x170728","","10.1107/S2414314617007283","","","0.71073","MoKα","","0.044","0.0381","","","0.1033","0.1083","","","","","","1.089","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546689","13.463","0.003","3.8694","0.0008","20.377","0.004","90","","101.023","0.003","90","","1041.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[(Anthracen-9-yl)methylidene]hydroxylamine","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","SJ4111","Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(<i>E</i>)-<i>N</i>-[(Anthracen-9-yl)methylidene]hydroxylamine","IUCrData","2017","2","5","x170684","","10.1107/S2414314617006848","","","0.71073","MoKα","","0.0523","0.0437","","","0.1199","0.1249","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546690","8.9303","0.0015","15.572","0.003","9.4824","0.0016","90","","117.32","0.008","90","","1171.6","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-Di-<i>tert</i>-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","","- C25 H36 N2 O -","- C25 H36 N2 O -","- C50 H72 N4 O2 -","2","1","VM4022","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","4,6-Di-<i>tert</i>-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","IUCrData","2017","2","4","x170572","","10.1107/S2414314617005727","","","0.71073","MoKα","","0.083","0.0619","","","0.1678","0.1893","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546691","6.1657","0.0015","7.0875","0.0019","20.883","0.006","90","","90","","90","","912.6","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]pyrazine-5,6-dicarbonitrile","","- C7 N4 S3 -","- C7 N4 S3 -","- C28 N16 S12 -","4","1","WM4053","Tomura, Masaaki","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]pyrazine-5,6-dicarbonitrile","IUCrData","2017","2","7","x171023","","10.1107/S2414314617010239","","","0.71073","MoKα","","0.0463","0.0406","","","0.0975","0.103","","","","","","1.114","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546692","14.9353","0.0005","15.0367","0.0005","19.4231","0.0007","90","","98.13","0.002","90","","4318.2","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(<i>E</i>)-(3-Methylbenzylidene)amino]-6-(morpholin-4-yl)-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine","","- C23 H26 N6 O2 -","- C23 H26 N6 O2 -","- C184 H208 N48 O16 -","8","2","ZL4016","Morris, Patrick J.; Moore, Curtis; Thomas, Craig J.","Apilimod","IUCrData","2017","2","5","x170693","","10.1107/S2414314617006939","","","1.54178","CuKα","","0.0442","0.0379","","","0.0983","0.103","","","","","","1.041","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546693","10.1174","0.0005","19.0567","0.0008","14.0387","0.0007","90","","105.254","0.004","90","","2611.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","","- C27 H32 Br N O5 -","- C27 H32 Br N O5 -","- C108 H128 Br4 N4 O20 -","4","1","HB4135","Mohamed, Shaaban K.; Dege, Necmi; Akkurt, Mehmet; Allah, Omyma A. Abd; Albayati, Mustafa R.","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","IUCrData","2017","2","4","x170573","","10.1107/S2414314617005739","","","0.71073","MoKα","","0.087","0.0454","","","0.0922","0.1052","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546694","26.3932","0.0005","26.3932","0.0005","24.827","0.0005","90","","90","","120","","14977.5","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole","","- C72 H80 N6 O9 -","- C72 H80 N6 O9 -","- C648 H720 N54 O81 -","9","0.5","","Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner","1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole with an unknown solvent","IUCrData","2017","2","3","x170462","","10.1107/S241431461700462X","","","0.71073","MoKα","","0.1707","0.0643","","","0.1765","0.2217","","","","","","0.846","","","","has coordinates,has disorder,has Fobs","199288","2020-10-21","18:00:00",""
"1546695","10.5372","0.0004","10.5372","0.0004","29.971","0.0011","90","","90","","120","","2881.92","0.19","296","2","296","2","","","","","","","","5","P 61","P 61","169","","<i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide","","- C18 H27 Cl2 N O -","- C18 H27 Cl2 N O -","- C108 H162 Cl12 N6 O6 -","6","1","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Taourirte, Moha; Oukhrib, Abdelouahd; Berraho, Moha","<i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide","IUCrData","2017","2","4","x170492","","10.1107/S2414314617004928","","","0.71073","MoKα","","0.0464","0.0392","","","0.1016","0.1086","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546696","9.4118","0.0003","10.8934","0.0004","18.6996","0.0007","101.629","0.001","91.752","0.001","90.351","0.001","1876.83","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","","- C20 H22 N4 O3 -","- C20 H22 N4 O3 -","- C80 H88 N16 O12 -","4","2","SJ4099","Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; El Aroussi, Fatima; Ouzidan, Younes","4-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","IUCrData","2017","2","4","x170516","","10.1107/S2414314617005168","","","1.54178","CuKα","","0.063","0.0492","","","0.1462","0.1969","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546697","12.9107","0.0007","17.872","0.0008","21.6094","0.0011","90","","95.0374","0.0016","90","","4966.9","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexaethylguanidinium tetrakis(trimethylsilylethynyl)borate diethyl ether monosolvate","","- C37 H76 B N3 O Si4 -","- C37 H76 B N3 O Si4 -","- C148 H304 B4 N12 O4 Si16 -","4","1","HB4136","Oberparleiter, Stefan; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Kunze-Liebhäuser, Julia; Schottenberger, Herwig","Hexaethylguanidinium tetrakis(trimethylsilylethynyl)borate diethyl ether monosolvate","IUCrData","2017","2","5","x170724","","10.1107/S2414314617007246","","","0.71073","MoKα","","0.1089","0.0679","","","0.1721","0.1931","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","199291","2020-10-21","18:00:00",""
"1546698","7.7829","0.0003","7.4284","0.0003","21.9087","0.0007","90","","94.399","0.003","90","","1262.91","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[Bis(methylsulfanyl)methylidene]-2-methoxybenzohydrazide","","- C11 H14 N2 O2 S2 -","- C11 H14 N2 O2 S2 -","- C44 H56 N8 O8 S8 -","4","1","FF4015","Nath, Paras; Bharty, Manoj K.; Butcher, Ray J.; Jasinski, Jerry P.","<i>N</i>'-[Bis(methylsulfanyl)methylidene]-2-methoxybenzohydrazide","IUCrData","2017","2","4","x170489","","10.1107/S2414314617004898","","","1.54178","CuKα","","0.0486","0.046","","","0.1217","0.1247","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546699","8.4015","0.0006","9.0041","0.0006","9.1465","0.0007","114.214","0.003","101.275","0.004","90.978","0.003","615.19","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-(Prop-2-en-1-yl)-3-[(prop-2-en-1-yl)oxy]quinoxalin-2(1<i>H</i>)-one","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","SJ4106","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1-(Prop-2-en-1-yl)-3-[(prop-2-en-1-yl)oxy]quinoxalin-2(1<i>H</i>)-one","IUCrData","2017","2","5","x170656","","10.1107/S2414314617006563","","","1.54178","CuKα","","0.0459","0.0412","","","0.104","0.1122","","","","","","1.063","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546700","7.2074","0.001","13.1851","0.0015","14.848","0.002","90","","102.505","0.014","90","","1377.5","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4<i>H</i>-chromen-4-one","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","1","XU4026","Yang, Fan; Li, Yang; Zhou, Shu-Jing","5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4<i>H</i>-chromen-4-one","IUCrData","2017","2","4","x170490","","10.1107/S2414314617004904","","","0.71073","MoKα","","0.0937","0.0469","","","0.0914","0.1109","","","","","","0.978","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546701","6.767","0.005","6.817","0.005","15.864","0.005","90","","99.391","0.005","90","","722","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis[(oxan-2-yl)oxy]benzene","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","0.5","HB4130","Raj, Radhakrishnan Mohan; Lekha, Logu; Viswanathan, Vijayan; Velmurugan, Devadasan; Easwaramoorthy, Deivanayagam","1,4-Bis[(oxan-2-yl)oxy]benzene","IUCrData","2017","2","5","x170717","","10.1107/S2414314617007179","","","0.71073","MoKα","","0.0413","0.0326","","","0.0786","0.084","","","","","","1.094","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546702","47.514","0.008","7.1015","0.0011","6.1289","0.001","90","","96.037","0.009","90","","2056.5","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-{(<i>E</i>)-[(4-Anilinophenyl)imino]methyl}-4-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]phenol","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C104 H88 N16 O8 -","4","1","SU4134","Faizi, Md. Serajul Haque; Dege, Necmi; Goleva, Kateryna","2-{(<i>E</i>)-[(4-Anilinophenyl)imino]methyl}-4-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]phenol","IUCrData","2017","2","4","x170548","","10.1107/S241431461700548X","","","0.71073","MoKα","","0.0722","0.0426","","","0.0821","0.0919","","","","","","1.005","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546703","4.8462","0.001","7.8042","0.0016","30.996","0.006","90","","90","","90","","1172.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-(2,4,6-Trimethylphenyl)butan-2-one","","- C13 H18 O -","- C13 H18 O -","- C52 H72 O4 -","4","1","","Zhang, Lang-Jing; Kou, Jun-Feng; Liu, Feng-Yi","4-(2,4,6-Trimethylphenyl)butan-2-one","IUCrData","2017","2","5","x170675","","10.1107/S2414314617006757","","","0.71073","MoKα","","0.131","0.0806","","","0.148","0.1684","","","","","","1.085","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546704","8.7148","0.0009","13.5652","0.0017","14.7832","0.0019","91.562","0.005","96.341","0.004","103.776","0.004","1684.4","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","5,7-Dimethyl-1<i>H</i>-indole-2,3-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","4","HB4133","Perez, Matthew F.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","5,7-Dimethyl-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170444","","10.1107/S2414314617004448","","","0.71073","MoKα","","0.0885","0.0626","","","0.1701","0.1886","","","","","","1.103","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546705","33.2932","0.001","7.9284","0.0002","5.7903","0.0002","90","","90","","90","","1528.42","0.08","100","","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Biphenyl-4-yl 4-methylbenzenesulfonate","","- C19 H16 O3 S -","- C19 H16 O3 S -","- C76 H64 O12 S4 -","4","1","BT4056","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","Biphenyl-4-yl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170982","","10.1107/S2414314617009828","","","0.71073","MoKα","","0.0315","0.0255","","","0.0557","0.057","","","","","","0.983","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546706","13.269","0.0006","15.6721","0.0007","7.2136","0.0003","90","","99.029","0.002","90","","1481.5","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Bromo-5-nitro-1<i>H</i>-indazol-1-yl)-1-phenylethanone","","- C15 H10 Br N3 O3 -","- C15 H10 Br N3 O3 -","- C60 H40 Br4 N12 O12 -","4","1","ZP4013","Boulhaoua, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","2-(3-Bromo-5-nitro-1<i>H</i>-indazol-1-yl)-1-phenylethanone","IUCrData","2017","2","4","x170559","","10.1107/S2414314617005594","","","0.71073","MoKα","","0.0602","0.0378","","","0.0923","0.1023","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546707","22.1001","0.0008","6.7624","0.0002","24.5714","0.0007","90","","104.835","0.003","90","","3549.8","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate","","- C23 H21 N2 O0.5 -","- C23 H21 N2 O0.5 -","- C184 H168 N16 O4 -","8","1","","Loughzail, Mohamed; Adardour, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam","(<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate","IUCrData","2017","2","7","x171070","","10.1107/S2414314617010707","","","1.54184","CuKα","","0.0741","0.0579","","","0.1538","0.1718","","","","","","1.07","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546708","25.6622","0.0008","8.7731","0.0003","10.3928","0.0003","90","","101.847","0.001","90","","2289.96","0.13","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C23 H26 N4 O7 -","- C23 H26 N4 O7 -","- C92 H104 N16 O28 -","4","1","BT4048","Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ben-Tama, Abdeslem; Essassi, El Mokhtar","1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","5","x170670","","10.1107/S2414314617006708","","","1.54178","CuKα","","0.0257","0.0249","","","0.0634","0.0641","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546709","8.7749","0.0007","9.9403","0.0007","10.4475","0.0008","76.03","0.006","66.511","0.007","85.843","0.006","810.76","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C19 H13 Br Cl N3 -","- C19 H13 Br Cl N3 -","- C38 H26 Br2 Cl2 N6 -","2","1","VM4023","Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2017","2","6","x170899","","10.1107/S2414314617008999","","","1.54184","CuKα","","0.0517","0.0443","","","0.1162","0.1244","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546710","17.9752","0.0008","17.4403","0.0008","9.2472","0.0004","90","","102.892","0.001","90","","2825.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Oxo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-1-yl)acetic acid","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C136 H112 N16 O24 -","8","2","BV4007","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","2-(2-Oxo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-1-yl)acetic acid","IUCrData","2017","2","1","x170120","","10.1107/S2414314617001201","","","0.71073","MoKα","","0.0624","0.0478","","","0.1353","0.1455","","","","","","1.109","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546711","7.37174","0.00013","12.5726","0.0003","26.4454","0.0005","90","","90","","90","","2451.01","0.09","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","","- C11 H9 F3 N2 O3 S -","- C11 H9 F3 N2 O3 S -","- C88 H72 F24 N16 O24 S8 -","8","1","","Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","IUCrData","2017","2","5","x170689","","10.1107/S2414314617006897","","","0.71075","MoKα","","","0.0284","","","","0.0772","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546712","13.9863","0.0005","7.8783","0.0003","18.5549","0.0007","90","","100.786","0.001","90","","2008.41","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3-Bromo-6-nitro-1<i>H</i>-indazol-1-yl)ethan-1-one","","- C9 H6 Br N3 O3 -","- C9 H6 Br N3 O3 -","- C72 H48 Br8 N24 O24 -","8","2","FF4017","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Minnih, Mohamed Said; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-(3-Bromo-6-nitro-1<i>H</i>-indazol-1-yl)ethan-1-one","IUCrData","2017","2","5","x170660","","10.1107/S2414314617006605","","","0.71073","MoKα","","0.03","0.0233","","","0.0598","0.0615","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546713","11.3277","0.0003","12.3257","0.0003","15.5274","0.0004","112.59","0.0006","90.7806","0.0007","92.9221","0.0007","1997.74","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)","","- C18 H36 N2 P2 -","- C18 H36 N2 P2 -","- C72 H144 N8 P8 -","4","2","RZ4017","Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Rosenthal, Uwe","1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)","IUCrData","2017","2","6","x170903","","10.1107/S2414314617009038","","","0.71073","MoKα","","0.0481","0.035","","","0.0874","0.0949","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546714","6.0108","0.0005","7.9243","0.0006","19.8388","0.0016","90","","94.271","0.004","90","","942.33","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-Phenylprop-2-en-1-yl thiocyanate","","- C10 H9 N S -","- C10 H9 N S -","- C40 H36 N4 S4 -","4","1","HB4134","Khan, Ezzat; Shahzad, Adnan; Tahir, M. Nawaz; Ateeq, Muhammad","(2<i>E</i>)-3-Phenylprop-2-en-1-yl thiocyanate","IUCrData","2017","2","4","x170549","","10.1107/S2414314617005491","","","0.71073","MoKα","","0.063","0.0426","","","0.1007","0.112","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546715","13.3937","0.0008","8.9106","0.0004","13.394","0.0007","90","","99.765","0.005","90","","1575.36","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(2-Chlorobenzylidene)-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C18 H12 Cl N O S -","- C18 H12 Cl N O S -","- C72 H48 Cl4 N4 O4 S4 -","4","1","SJ4119","Sebbar, Nada Kheira; Ellouz, Mohamed; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-2-(2-Chlorobenzylidene)-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","IUCrData","2017","2","6","x170889","","10.1107/S2414314617008896","","","1.54184","CuKα","","0.0579","0.0488","","","0.1303","0.1376","","","","","","1.025","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546716","7.8066","0.0002","8.9238","0.0002","11.9303","0.0003","106.583","0.002","94.701","0.002","111.358","0.002","725.58","0.04","100","","100","0.1","","","","","","","","4","P -1","-P 1","2","","3,5-Dimethoxyphenyl 4-methylbenzenesulfonate","","- C15 H16 O5 S -","- C15 H16 O5 S -","- C30 H32 O10 S2 -","2","1","BT4054","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","3,5-Dimethoxyphenyl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170980","","10.1107/S2414314617009804","","","0.71073","MoKα","","0.0366","0.0286","","","0.0749","0.0768","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546717","9.894","0.0003","10.1125","0.0002","24.8655","0.0007","90","","95.096","0.001","90","","2478.04","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibenzyl({1-[(4-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-4-yl}methyl)amine","","- C28 H29 N5 O -","- C28 H29 N5 O -","- C112 H116 N20 O4 -","4","1","SJ4117","Boukhssas, Salaheddine; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid","Dibenzyl({1-[(4-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-4-yl}methyl)amine","IUCrData","2017","2","6","x170860","","10.1107/S2414314617008604","","","0.71073","MoKα","","0.0439","0.0364","","","0.0979","0.1016","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546718","15.6744","0.0012","6.9475","0.0005","11.988","0.0008","90","","90","","90","","1305.47","0.16","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Isopropyl-4,7-dimethyl-1-nitronaphthalene","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","0.5","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha","2-Isopropyl-4,7-dimethyl-1-nitronaphthalene","IUCrData","2017","2","4","x170584","","10.1107/S2414314617005843","","","0.71073","MoKα","","0.0468","0.0401","","","0.1033","0.11","","","","","","1.063","","","","has coordinates,has Fobs","199314","2020-10-21","18:00:00",""
"1546719","11.946","0.0001","13.218","0.0002","17.434","0.0002","109.348","0.001","96.35","0.001","98.881","0.002","2527.33","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(4,6-di-<i>tert</i>-butyl-2-{<i>N</i>-[4-(diethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)","","- C50 H70 Co N4 O2 -","- C50 H70 Co N4 O2 -","- C100 H140 Co2 N8 O4 -","2","1","RZ4015","Rani, C.Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","Bis(4,6-di-tert-butyl-2-{N-[4-(diethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)","IUCrData","2017","2","6","x170784","","10.1107/S2414314617007842","","","0.71073","MoKα","","0.0692","0.0492","","","0.1375","0.1464","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546720","12.2269","0.0004","6.7034","0.0003","14.0817","0.0005","90","","90","","90","","1154.16","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","0.5","SJ4124","Filali Baba, Yassir; Kandri Rodi, Youssef; Hayani, Sonia; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar","Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","IUCrData","2017","2","6","x170917","","10.1107/S2414314617009178","","","1.54184","CuKα","","0.0503","0.0419","","","0.1125","0.1189","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","199316","2020-10-21","18:00:00",""
"1546721","8.5041","0.0005","8.6959","0.0005","12.5024","0.0008","71.002","0.001","88.165","0.001","72.572","0.001","831.87","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","SJ4081","Ramli, Youssef; Akrad, Rachida; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Mague, Joel T.","Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate","IUCrData","2017","2","1","x170098","","10.1107/S2414314617000980","","","0.71073","MoKα","","0.0679","0.0467","","","0.1145","0.1302","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546722","14.201","0.003","7.3285","0.0012","12.974","0.004","90","","105.89","0.02","90","","1298.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2-nitro-1-(2-phenylethyl)benzene","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB4131","Manjunath, N. K.; Nabil Najib, A. A.; Nagendra, P.; Siddaraju, B. P; Swamy, M. T.; Byrappa, K.; Madan Kumar, S.","4-Chloro-2-nitro-1-(2-phenylethyl)benzene","IUCrData","2017","2","4","x170547","","10.1107/S2414314617005478","","","0.71073","MoKα","","0.124","0.0698","","","0.1766","0.2198","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","199318","2020-10-21","18:00:00",""
"1546723","7.5018","0.0003","7.6661","0.0003","21.4332","0.0009","93.743","0.001","94.776","0.001","106.197","0.001","1174.52","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1)","","- C23 H27 N9 O2 -","- C23 H27 N9 O2 -","- C46 H54 N18 O4 -","2","1","SU4153","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul","6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1)","IUCrData","2017","2","6","x170829","","10.1107/S241431461700829X","","","0.71073","MoKα","","0.0628","0.0452","","","0.1222","0.1329","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546724","13.267","0.007","5.105","0.0018","18.866","0.009","90","","109.67","0.02","90","","1203.2","1","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","","- C15 H9 Cl O3 -","- C15 H9 Cl O3 -","- C60 H36 Cl4 O12 -","4","1","ZL4017","Zingales, Sarah; Padgett, Clifford","2-(4-Chlorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","IUCrData","2017","2","7","x170996","","10.1107/S2414314617009968","","","0.71073","MoKα","","0.103","0.0593","","","0.1258","0.1482","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546725","9.4087","0.0005","15.5422","0.0007","14.6143","0.0007","90","","91.077","0.001","90","","2136.7","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (6<i>R</i>*,6a<i>R</i>*,12b<i>R</i>*)-2,4-dimethyl-6-(2-methylphenyl)-1,3-dioxo-2,3,4,6a,7,12b-hexahydro-1<i>H</i>,6<i>H</i>-chromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a-carboxylate","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Gomathi, S.; Dravida Thendral, Era; Sivakumar, G.; Sabari, V.; Usha, G.","Methyl (6<i>R</i>*,6a<i>R</i>*,12b<i>R</i>*)-2,4-dimethyl-6-(2-methylphenyl)-1,3-dioxo-2,3,4,6a,7,12b-hexahydro-1<i>H</i>,6<i>H</i>-chromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a-carboxylate","IUCrData","2017","2","6","x170812","","10.1107/S2414314617008124","","","0.71073","MoKα","","0.0659","0.0482","","","0.1315","0.1463","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546726","6.8521","0.0004","23.1503","0.0013","15.0422","0.0008","90","","99.365","0.001","90","","2354.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxy-4-methoxyphenyl)-<i>N</i>-(2-methoxyphenyl)-5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C28 H25 N3 O3 S -","- C28 H25 N3 O3 S -","- C112 H100 N12 O12 S4 -","4","1","HB4146","Ahn, Seunghyun; Lim, Yoongho; Sung, Jiha; Koh, Dongsoo","3-(2-Hydroxy-4-methoxyphenyl)-<i>N</i>-(2-methoxyphenyl)-5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","IUCrData","2017","2","5","x170732","","10.1107/S2414314617007325","","","0.71073","MoKα","","0.0988","0.0479","","","0.117","0.1465","","","","","","0.959","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546727","11.5598","0.0003","13.3787","0.0004","17.3035","0.0005","111.756","0.001","96.694","0.002","98.293","0.001","2417.01","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Bis{<i>N</i>-[(4-dimethylamino)phenyl]-3,5-di-<i>tert</i>-butylsalicylaldiminato}cobalt(II)","Bis(2,4-di-<i>tert</i>-butyl-6-{<i>N</i>-[4-(dimethylamino)phenyl]\ carboximidoyl}phenolato)cobalt(II)","","- C46 H62 Co N4 O2 -","- C46 H62 Co N4 O2 -","- C92 H124 Co2 N8 O4 -","2","1","RZ4012","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","Bis{3,5-di-<i>tert</i>-butyl-<i>N</i>-[(4-dimethylamino)phenyl]salicylaldiminato}cobalt(II)","IUCrData","2017","2","4","x170525","","10.1107/S2414314617005259","","","0.71073","MoKα","","0.0878","0.0578","","","0.1634","0.175","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199323","2020-10-21","18:00:00",""
"1546728","14.152","0.002","9.8983","0.0016","15.9939","0.0019","90","","90","","90","","2240.4","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","MeN(CH~2~CMe~2~OH)~2~","1-[(2-Hydroxy-2-methylpropyl)methylamino]-2-methylpropan-2-ol","","- C9 H21 N O2 -","- C9 H21 N O2 -","- C72 H168 N8 O16 -","8","2","BT4050","Lutter, Michael; Gock, Vinusuya; Jurkschat, Klaus","The amino alcohol MeN(CH~2~CMe~2~OH)~2~","IUCrData","2017","2","6","x170799","","10.1107/S2414314617007994","","","0.71073","MoKα","","0.1212","0.0391","","","0.0413","0.045","","","","","","0.8","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546729","14.5077","0.001","7.9149","0.0004","14.8297","0.0008","90","","106.803","0.007","90","","1630.15","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide","","- C17 H29 N O3 -","- C17 H29 N O3 -","- C68 H116 N4 O12 -","4","2","","Benharref, Amed; Ait Elhad, Mustapha; Mazoir, Noureddine; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide","IUCrData","2017","2","7","x170970","","10.1107/S2414314617009701","","","0.71073","MoKα","","0.0938","0.0552","","","0.1022","0.1145","","","","","","0.99","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546730","7.425","0.001","9.952","0.002","24.359","0.004","85.076","0.005","83.431","0.005","88.72","0.005","1781.4","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione","","- C13 H9 F13 N2 S -","- C13 H9 F13 N2 S -","- C52 H36 F52 N8 S4 -","4","2","SJ4108","Partl, Gabriel; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione","IUCrData","2017","2","5","x170648","","10.1107/S2414314617006484","","","0.71073","MoKα","","0.0885","0.0665","","","0.1609","0.1759","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546731","6.1921","0.0008","9.9443","0.0013","10.3761","0.0012","114.71","0.009","102.121","0.01","92.239","0.011","561.66","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis[bis(tetrahydrothiophene-κ<i>S</i>)silver(I)]","","- C16 H32 Ag2 Cl2 S4 -","- C16 H32 Ag2 Cl2 S4 -","- C16 H32 Ag2 Cl2 S4 -","1","0.5","BT4051","Liebing, Phil","Di-μ-chlorido-bis[bis(tetrahydrothiophene-κ<i>S</i>)silver(I)]","IUCrData","2017","2","6","x170921","","10.1107/S241431461700921X","","","0.71073","MoKα","","0.0694","0.05","","","0.1208","0.1251","","","","","","0.875","","","","has coordinates,has Fobs","199327","2020-10-21","18:00:00",""
"1546732","12.2974","0.0004","13.7295","0.0004","14.8952","0.0005","90","","90","","90","","2514.86","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-<i>N</i>-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C88 H152 N24 S8 -","8","2","SJ4102","Fawzi, Mourad; Auhmani, Aziz; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Ketatni, El Mostafa","(2<i>E</i>)-<i>N</i>-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide","IUCrData","2017","2","4","x170513","","10.1107/S2414314617005132","","","1.54178","CuKα","","0.0286","0.0278","","","0.0696","0.0703","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546739","3.7592","0.0009","6.7317","0.0013","25.29","0.005","90","","93.106","0.014","90","","639","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Methylpyrazine-2-carboxamide","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","SU4158","Rillema, D. Paul; Senaratne, Nilmini K.; Moore, Curtis; KomReddy, Venugopal","5-Methylpyrazine-2-carboxamide","IUCrData","2017","2","7","x171090","","10.1107/S2414314617010902","","","0.71073","MoKα","","0.0713","0.0425","","","0.0922","0.1041","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546740","6.9549","0.0005","11.6778","0.0009","12.2165","0.0009","90","","90","","90","","992.2","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","BH4025","Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Lahmidi, Sanae; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","IUCrData","2017","2","7","x171091","","10.1107/S2414314617010914","","","1.54178","CuKα","","0.0365","0.0344","","","0.0954","0.0984","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546747","16.4374","0.0009","6.2657","0.0002","12.5689","0.0006","90","","120.523","0.007","90","","1115.11","0.12","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","2,2-Difluoro-3-(4-fluorophenyl)-2<i>H</i>-benzo[<i>e</i>][1,3,2]oxazaborinin-3-ium-2-uide","","- C13 H9 B F3 N O -","- C13 H9 B F3 N O -","- C52 H36 B4 F12 N4 O4 -","4","1","BT4059","Dziuk, Błażej; Ośmiałowski, Borys; Zakrzewska, Anna; Ejsmont, Krzysztof; Zarychta, Bartosz","2,2-Difluoro-3-(4-fluorophenyl)-2<i>H</i>-benzo[<i>e</i>][1,3,2]oxazaborinin-3-ium-2-uide","IUCrData","2017","2","8","x171109","","10.1107/S2414314617011099","","","0.71073","MoKα","","0.029","0.027","","","0.0673","0.0681","","","","","","1.014","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546748","15.8203","0.0017","6.8156","0.0007","8.7275","0.0008","90","","90","","90","","941.04","0.16","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","benzylammonium nitrate","4-Methoxybenzylammonium nitrate","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","0.5","BH4027","Umarani, P.; Thiruvalluvar, A.; Ramachandra Raja, C.","4-Methoxybenzylammonium nitrate","IUCrData","2017","2","8","x171114","","10.1107/S2414314617011142","","","0.71073","MoKα","","0.0737","0.0401","","","0.1065","0.131","","","","","","1.062","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546772","9.9684","0.0007","7.8695","0.0006","16.6927","0.001","90","","106.097","0.007","90","","1258.14","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (7-hydroxy-4-methyl-2-oxo-2<i>H</i>-chromen-3-yl)phosphonate","","- C12 H13 O6 P -","- C12 H13 O6 P -","- C48 H52 O24 P4 -","4","1","HB4160","Li, Yunfei; Xiao, Yongmei; Zhang, Xinchi; Yang, Liangru; Yuan, Jinwei; Mao, Pu","Dimethyl (7-hydroxy-4-methyl-2-oxo-2<i>H</i>-chromen-3-yl)phosphonate","IUCrData","2017","2","8","x171119","","10.1107/S2414314617011191","","","0.71073","MoKα","","0.1238","0.0578","","","0.1372","0.1725","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546773","13.7056","0.0003","10.6494","0.0002","14.9163","0.0003","90","","91.744","0.002","90","","2176.12","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diethyl (1-benzyl-4-phenyl-3-trifluoromethyl-1<i>H</i>-pyrrol-2-yl)phosphonate","","- C22 H23 F3 N O3 P -","- C22 H23 F3 N O3 P -","- C88 H92 F12 N4 O12 P4 -","4","1","HB4162","Jezuita, Anna; Cal, Dariusz; Zagórski, Piotr; Ejsmont, Krzysztof; Zarychta, Bartosz","Diethyl (1-benzyl-4-phenyl-3-trifluoromethyl-1<i>H</i>-pyrrol-2-yl)phosphonate","IUCrData","2017","2","8","x171122","","10.1107/S2414314617011221","","","0.71073","MoKα","","0.0436","0.0309","","","0.0763","0.0786","","","","","","0.979","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546774","9.6529","0.0004","17.7072","0.0005","10.4833","0.0004","90","","114.106","0.004","90","","1635.6","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3<i>H</i>-naphtho[1,2-<i>e</i>][1,3,2]oxazaborinin-2-ium-3-uide","","","- C19 H17 B F2 N2 O -","- C19 H17 B F2 N2 O -","- C76 H68 B4 F8 N8 O4 -","4","1","BX4006","Dziuk, Błażej; Ośmiałowski, Borys; Skotnicka, Agnieszka; Ejsmont, Krzysztof; Zarychta, Bartosz","2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3<i>H</i>-naphtho[1,2-<i>e</i>][1,3,2]oxazaborinin-2-ium-3-uide","IUCrData","2017","2","8","x171141","","10.1107/S2414314617011415","","","0.71073","MoKα","","0.043","0.0308","","","0.0778","0.0803","","","","","","0.98","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546782","9.3432","0.0006","10.4314","0.0008","18.0901","0.0014","90","","90","","90","","1763.1","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","SJ4129","Karai, Oumaima; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid","Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate","IUCrData","2017","2","8","x171155","","10.1107/S2414314617011555","","","0.71073","MoKα","","0.0298","0.0268","","","0.0621","0.0645","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546784","11.1344","0.0006","12.0889","0.0005","12.4679","0.0006","89.171","0.003","79.125","0.003","84.202","0.003","1639.62","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>R</i>*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","2","","Bargavi, Srinivasan; Gouthaman, Siddan; Sugunnalakshmi, Madurai; Lakshmi, Srinivasakannan","(<i>R</i>*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one","IUCrData","2017","2","8","x171164","","10.1107/S2414314617011646","","","0.71073","MoKα","","0.0969","0.0528","","","0.1495","0.1965","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546791","18.1884","0.001","13.5886","0.0007","18.3224","0.001","90","","94.711","0.002","90","","4513.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I)","","- C55 H45 Ag N P3 S -","- C55 H45 Ag N P3 S -","- C220 H180 Ag4 N4 P12 S4 -","4","1","TK4035","Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Romyen, Monpariya; Wattanakanjana, Yupa","(Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I)","IUCrData","2017","2","8","x171185","","10.1107/S2414314617011853","","","0.71073","MoKα","","0.0321","0.0274","","","0.0646","0.068","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","199879","2020-10-21","18:00:00",""
"1546921","4.7434","0.0005","6.8568","0.0008","15.0374","0.0015","100.88","0.009","92.184","0.008","103.053","0.009","466.21","0.09","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate]","","- C18 H21 Cl2 N O6 -","- C18 H21 Cl2 N O6 -","- C18 H21 Cl2 N O6 -","1","0.5","BH4026","Smith, Graham","Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate]","IUCrData","2017","2","8","x171223","","10.1107/S2414314617012238","","","0.71073","MoKα","","0.0708","0.0516","","","0.104","0.1132","","","","","","1.046","","","","has coordinates,has Fobs","200065","2020-10-21","18:00:00",""
"1546922","30.5325","0.0014","4.8966","0.0002","11.8973","0.0005","90","","99.067","0.002","90","","1756.49","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Methylbenzylammonium chloride hemihydrate","","- C8 H13 Cl N O0.5 -","- C8 H13 Cl N O0.5 -","- C64 H104 Cl8 N8 O4 -","8","1","BV4010","Aarthi, R.; Thiruvalluvar, A.; Ramachandra Raja, C.","4-Methylbenzylammonium chloride hemihydrate","IUCrData","2017","2","8","x171213","","10.1107/S2414314617012135","","","0.71073","MoKα","","0.0716","0.0405","","","0.102","0.1182","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546923","10.7775","0.0003","9.6848","0.0003","12.1792","0.0004","90","","108.139","0.001","90","","1208.06","0.06","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Vinyl-4-imidazoline-2-thione","","- C5 H6 N2 S -","- C5 H6 N2 S -","- C40 H48 N16 S8 -","8","1","QM4003","Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1-Vinyl-4-imidazoline-2-thione","IUCrData","2017","2","8","x171207","","10.1107/S241431461701207X","","","0.71073","MoKα","","0.026","0.0241","","","0.0634","0.0649","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546924","6.1708","0.0002","16.9596","0.0007","14.2882","0.0006","90","","99.9699","0.0019","90","","1472.74","0.1","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(Pyridin-2-yl)-1,8-naphthyridine","","- C13 H9 N3 -","- C13 H9 N3 -","- C78 H54 N18 -","6","3","","Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai","2-(Pyridin-2-yl)-1,8-naphthyridine","IUCrData","2017","2","8","x171221","","10.1107/S2414314617012214","","","0.71075","MoKα","","","0.033","","","","0.0929","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1548340","7.4477","","9.5989","","9.6888","","90","","90","","90","","692.65","","293","","293","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Cl16 Cu16 O8 -","- Cl16 Cu16 O8 -","- Cl16 Cu16 O8 -","1","0.03125","","Li Zhao; Maria Teresa Fernandez-Diaz; Liu Hao Tjeng; Alexander C. Komarek","Oxyhalides: A new class of high-TC multiferroic materials","Science Advances","2016","2","","1600353","","10.1126/sciadv.1600353","","x-ray","0.71069","MoKα","","0.0308","0.0256","","","0.0689","0.072","","","","2.53","2.53","2.39","","","","has coordinates","203825","2020-10-21","18:00:00",""
"1548341","42.105","0.008","12.613","0.003","24.741","0.005","90","","90.15","0.03","90","","13139","5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C79 H64.5 B Cl2 F4 O0.5 Os P3 -","- C79 H64.5 B Cl2 F4 O0.25 Os P3 -","- C632 H516 B8 Cl16 F32 O2 Os8 P24 -","8","1","","Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia","CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties","Science Advances","2016","2","","1601031","","10.1126/sciadv.1601031","","","0.71073","MoKα","","0.038","0.0326","","","0.0819","0.0853","","","","","","1.084","","","","has coordinates","203826","2020-10-21","18:00:00",""
"1548342","13.14","0.003","18.625","0.004","26.176","0.005","90","","96.12","0.03","90","","6370","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H74 B F4 Os P3 -","- C78 H74 B F4 Os P3 -","- C312 H296 B4 F16 Os4 P12 -","4","1","","Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia","CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties","Science Advances","2016","2","","1601031","","10.1126/sciadv.1601031","","","0.71073","MoKα","","0.0522","0.0368","","","0.0737","0.1101","","","","","","1.216","","","","has coordinates","203827","2020-10-21","18:00:00",""
"1548343","9.938","0.002","24.307","0.005","25.357","0.005","108.68","0.03","96.47","0.03","96.12","0.03","5699","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68.5 H59 B Cl F4 Os P3 -","- C68.5 H59 B Cl F4 Os P3 -","- C274 H236 B4 Cl4 F16 Os4 P12 -","4","2","","Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia","CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties","Science Advances","2016","2","","1601031","","10.1126/sciadv.1601031","","","0.71073","MoKα","","0.0796","0.0494","","","0.0993","0.1086","","","","","","1.013","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548581","13.6605","0.0017","14.7195","0.0018","17.277","0.002","86.231","0.005","68.978","0.005","80.007","0.005","3193.5","0.7","140","","143.99","","","","","","","","","4","P -1","-P 1","2","","","","- C81 H68 N4 O8 -","- C81 H68 N4 O8 -","- C162 H136 N8 O16 -","2","1","","Dong Shi; Xiang Qin; Yuan Li; Yao He; Cheng Zhong; Jun Pan; Huanli Dong; Wei Xu; Tao Li; Wenping Hu; Jean-Luc Bredas; Osman M. Bakr","Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering","Science Advances","2016","2","","1501491","","10.1126/sciadv.1501491","","","1.54178","CuKα","","0.0445","0.0414","","","0.1052","0.1079","","","","","","1.0467","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548642","30.0315","0.0004","30.0315","0.0004","8.8752","0.0002","90","","90","","90","","8004.5","0.2","123.15","","123.15","","","","","","","","","5","I -4","I -4","82","","","","- C124 H230 N20 Ni4 O61 -","- C124 H156 N20 Ni4 O61 -","- C248 H312 N40 Ni8 O122 -","2","0.25","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.5418","CuKα","","0.0659","0.0655","","","0.1733","0.1744","","","","","","1.056","","","","has coordinates,has disorder","205022","2020-10-21","18:00:00",""
"1548643","18.6018","0.0005","20.4447","0.0004","23.3295","0.0005","102.63","0.002","108.244","0.002","109.763","0.002","7388.9","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C107 H244 F6 N23 Ni5 O63 P -","- C107 H154 F6 N23 Ni5 O34 P -","- C214 H308 F12 N46 Ni10 O68 P2 -","2","1","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.54178","CuKα","","0.1277","0.1113","","","0.2298","0.2383","","","","","","1.098","","","","has coordinates,has disorder","205023","2020-10-21","18:00:00",""
"1548644","32.8793","0.0002","32.8793","0.0002","32.8793","0.0002","90","","90","","90","","35544.1","0.4","150","2","150","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C138 H255 Cl N28 Ni6 O59 -","- C138 H182.4 Cl N28 Ni6 O26.96 -","- C1104 H1459.2 Cl8 N224 Ni48 O215.68 -","8","0.0416667","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.54178","CuKα","","0.3382","0.2969","","","0.509","0.5163","","","","","","0.985","","","","has coordinates","205024","2020-10-21","18:00:00",""
"1548785","6.717","0.002","8.155","0.003","19.936","0.006","85.032","0.003","85.188","0.003","65.893","0.003","991.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium hexafluoridophosphate","","- C21 H17 F6 N2 O P -","- C21 H17 F6 N2 O P -","- C42 H34 F12 N4 O2 P2 -","2","1","","Xu, Hong-Kang; Kong, Lin; Li, Fei","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium hexafluoridophosphate","IUCrData","2017","2","12","x171735","","10.1107/S2414314617017357","","","0.71073","MoKα","","0.0856","0.0802","","","0.2401","0.2463","","","","","","1.078","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548786","12.3775","0.0009","12.3775","0.0009","12.3775","0.0009","90","","90","","90","","1896.3","0.2","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Poly[bis[(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]","","- C12 H20 Cd Cu2 N8 -","- C12 H20 Cd Cu2 N8 -","- C48 H80 Cd4 Cu8 N32 -","4","0.166667","IS4021","Nishikiori, Shin-ichi; Yoshida, Jun; Yuge, Hidetaka","Poly[bis(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]]","IUCrData","2017","2","12","x171771","","10.1107/S2414314617017710","","","0.71073","MoKα","","0.0206","0.017","","","0.0426","0.0443","","","","","","1.107","","","","has coordinates,has Fobs","205731","2020-10-21","18:00:00",""
"1548787","22.656","0.002","12.2607","0.0012","10.2189","0.001","90","","100.363","0.004","90","","2792.3","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Acetyl-6-methyl-4-phenyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","RZ4020","Kaoukabi, Hanane; Taourirte, Moha; Lazrek, Hassan B.; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","5-Acetyl-6-methyl-4-phenyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","IUCrData","2017","2","12","x171802","","10.1107/S2414314617018028","","","0.71073","MoKα","","0.0715","0.0459","","","0.1156","0.1333","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548788","6.922","0.003","8.498","0.003","14.064","0.005","78.3","0.03","85.51","0.03","69.1","0.03","756.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-Bromo-5-methoxy-2-{[(2-methoxyphenyl)imino]methyl}phenol monohydrate","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C30 H32 Br2 N2 O8 -","2","1","","Atalay, Şehriman; Aygün, Seda Nur; Meral, Seher; Ağar, Erbil","(<i>E</i>)-4-Bromo-5-methoxy-2-{[(2-methoxyphenyl)imino]methyl}phenol monohydrate","IUCrData","2017","2","12","x171730","","10.1107/S2414314617017308","","","0.71073","MoKα","","0.0795","0.0512","","","0.1185","0.1307","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548789","10.5214","0.0004","13.2896","0.0006","13.368","0.0006","107.331","0.003","109.298","0.002","99.272","0.003","1612.66","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","","- C18 H15 N3 O2 S -","- C18 H15 N3 O2 S -","- C72 H60 N12 O8 S4 -","4","2","TK4041","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A.; Al-Taifi, Elham A.","5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","IUCrData","2017","2","12","x171700","","10.1107/S241431461701700X","","","1.54178","CuKα","","0.0939","0.0657","","","0.1362","0.1532","","","","","","1.063","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548790","11.517","0.0006","8.7431","0.0004","22.2595","0.0013","90","","90","","90","","2241.4","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C104 H72 N8 O32 -","8","1","HB4192","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","IUCrData","2017","2","12","x171820","","10.1107/S241431461701820X","","","0.71073","MoKα","","0.0905","0.0508","","","0.106","0.1279","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548791","13.4521","0.0015","7.181","0.0007","34.204","0.003","90","","90","","90","","3304.1","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","","","- C19 H14 Br F N2 O -","- C19 H14 Br F N2 O -","- C152 H112 Br8 F8 N16 O8 -","8","1","HB4185","Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","IUCrData","2017","2","12","x171708","","10.1107/S2414314617017084","","","0.71073","MoKα","","0.1458","0.0548","","","0.0824","0.1104","","","","","","0.97","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548792","9.0951","0.0005","13.9582","0.0007","14.1083","0.0007","61.646","0.001","80.859","0.001","83.665","0.001","1554.92","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,5-Diphenyl-3-propylimidazolidine-2,4-dione","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","2","VM4030","Guerrab, Walid; Mague, Joel T.; Akrad, Rachida; Ansar, Mhammed; Taoufik, Jamal; Ramli, Youssef","5,5-Diphenyl-3-propylimidazolidine-2,4-dione","IUCrData","2017","2","12","x171808","","10.1107/S2414314617018089","","","0.71073","MoKα","","0.0608","0.0497","","","0.1411","0.1485","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548793","4.5971","0.0004","6.4372","0.0007","25.237","0.002","86.984","0.008","86.173","0.007","78.096","0.008","728.56","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","2-{(E)-[(3-chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","2-{(<i>E</i>)-[(3-Chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","","- C15 H11 Cl F3 N O2 -","- C15 H11 Cl F3 N O2 -","- C30 H22 Cl2 F6 N2 O4 -","2","1","","Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Bülbül, Hakan","2-{(<i>E</i>)-[(3-Chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","IUCrData","2017","2","12","x171725","","10.1107/S2414314617017254","","","0.71073","MoKα","","0.1316","0.0605","","","0.1534","0.1811","","","","","","0.886","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548794","4.8078","0.0003","7.7314","0.0004","17.8011","0.001","93.412","0.001","94.564","0.001","103.05","0.001","640.5","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C26 H28 N4 O4 S2 -","2","1","SJ4148","Missioui, Mohcine; Mague, Joel T.; El Fal, Mohammed; Taoufik, Jamal; Essassi, El Mokhtar; Ramli, Youssef","Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate","IUCrData","2017","2","12","x171763","","10.1107/S2414314617017631","","","0.71073","MoKα","","0.0403","0.0361","","","0.1037","0.1057","","","","","","1.13","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548795","19.817","0.002","8.4268","0.0009","12.4459","0.0014","90","","101.22","0.001","90","","2038.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate","","- C23 H17 F3 N2 O3 -","- C23 H17 F3 N2 O3 -","- C92 H68 F12 N8 O12 -","4","1","HB4169","Xia, Ying; Wang, Haiyan; Yu, Jianhua; Wu, Zhichao","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate","IUCrData","2017","2","12","x171733","","10.1107/S2414314617017333","","","0.71073","MoKα","","0.0633","0.0495","","","0.1487","0.1614","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","205740","2020-10-21","18:00:00",""
"1548796","4.8809","0.0002","8.5668","0.0004","4.3433","0.0002","90","","90","","90","","181.609","0.014","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","1","HB4189","Weil, Matthias","Redetermination of the γ-form of tellurium dioxide","IUCrData","2017","2","12","x171757","","10.1107/S2414314617017576","","","0.71073","MoKα","","0.0326","0.0252","","","0.0358","0.0369","","","","","","1.022","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:39",""
"1548797","6.7395","0.0002","11.3491","0.0003","16.1078","0.0005","75.681","0.002","88.031","0.002","86.856","0.002","1191.69","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis-(4-Methylanilinium trichloroacetate)","","- C9 H10 Cl3 N O2 -","- C9 H10 Cl3 N O2 -","- C36 H40 Cl12 N4 O8 -","4","2","HB4190","Suresh, S.; Pandi, P.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium trichloroacetate","IUCrData","2017","2","12","x171767","","10.1107/S2414314617017679","","","1.54178","CuKα","","0.0675","0.0513","","","0.1181","0.1284","","","","","","1.019","","","","has coordinates,has Fobs","205742","2020-10-21","18:00:00",""
"1548798","23.767","0.003","5.1425","0.0003","39.806","0.01","90","","102.61","0.02","90","","4747.8","1.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone)","","- C22 H29 Br N4 Se2 -","- C22 H29 Br N4 Se2 -","- C176 H232 Br8 N32 Se16 -","8","1","","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone)","IUCrData","2017","2","12","x171746","","10.1107/S2414314617017461","","","0.71073","MoKα","","0.1324","0.0619","","","0.1199","0.1461","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548799","5.7747","0.0004","6.5171","0.0005","30.234","0.002","90","","95.342","0.007","90","","1132.89","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","IUCrData","2017","2","12","x171782","","10.1107/S2414314617017825","","","0.71073","MoKα","","0.0876","0.0598","","","0.1337","0.1523","","","","","","1.067","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548800","6.6115","0.0004","15.2036","0.0009","15.3021","0.0008","63.536","0.002","83.76","0.002","85.214","0.002","1367.75","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-[5-Methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-{3-[5-methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}prop-2-en-1-one","","- C32 H28 N8 O -","- C32 H28 N8 O -","- C64 H56 N16 O2 -","2","1","","Abu El-Enin, Mohammed Abu Bakr; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Ghabbour, Hazem A.; El-Hiti, Gamal A.","(<i>E</i>)-1-[5-Methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-{3-[5-methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}prop-2-en-1-one","IUCrData","2017","2","12","x171729","","10.1107/S2414314617017291","","","0.71073","MoKα","","0.0909","0.0582","","","0.1365","0.1543","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548801","6.0506","0.0008","13.7423","0.0018","20.886","0.003","90","","90","","90","","1736.7","0.4","150.15","","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Naphthalene-1-carbaldehyde oxime","","- C11 H9 N O -","- C11 H9 N O -","- C88 H72 N8 O8 -","8","2","HB4179","Green, Alexander R.; Owczarzak, Kendall K.; Thomas, Mallory; Olrogg, Garrett M.; Whitver, Ethan; Crescente, Joseph V.; Peters, Joshua; Doud, Cheyann M.; Storm, Mitchell M.; Fink, Kathryn D.; Bilotti, Caroline; Cardenas, Allan Jay","Naphthalene-1-carbaldehyde oxime","IUCrData","2017","2","12","x171720","","10.1107/S2414314617017205","","","0.71073","MoKα","","0.1295","0.0687","","","0.1197","0.1389","","","","","","1.0362","","","","has coordinates","301779","2025-08-18","16:06:55",""
"1548802","4.7936","0.0007","12.9828","0.0019","14.632","0.002","90","","92.986","0.002","90","","909.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-methyl-2-nitrophenoxy)butane","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","FF4019","Zhang, Huihui; Wang, Haiyan; Yu, Jianhua","1,4-Bis(4-methyl-2-nitrophenoxy)butane","IUCrData","2017","2","12","x171734","","10.1107/S2414314617017345","","","0.71073","MoKα","","0.0495","0.0427","","","0.1193","0.1236","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548803","20.3655","0.0016","7.6148","0.0007","18.2999","0.0016","90","","99.254","0.003","90","","2801","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>)-2-[4-(Dimethylamino)benzylidene]-5-methylcyclohexanone","","- C16 H21 N O -","- C16 H21 N O -","- C128 H168 N8 O8 -","8","1","HB4183","Jebapriya, J. Christina; Reuben Jonathan, D.; Prasana, Johanan Christian; Usha, G.","(2<i>E</i>)-2-[4-(Dimethylamino)benzylidene]-5-methylcyclohexanone","IUCrData","2017","2","12","x171706","","10.1107/S2414314617017060","","","0.71073","MoKα","","0.1133","0.073","","","0.1714","0.2176","","","","","","1.07","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548804","32.3691","0.0016","10.7492","0.0002","13.1332","0.0007","90","","125.578","0.007","90","","3716.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4',4'',4'''-({4'λ^5^,6λ^5^,6'λ^5^-Spiro[dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6,2'-[1,3,5,2,4,6]triazatriphosphinine]-4',4',6',6'-tetrayl}tetrakis(oxy))tetrabenzaldehyde","","- C40 H28 N3 O10 P3 -","- C40 H28 N3 O10 P3 -","- C160 H112 N12 O40 P12 -","4","0.5","HB4178","Hou, Guohui; Zhang, Yumeng; Zhu, Jing; Xiong, Anxian; Wei, Hongliang; Chu, Huijuan","4,4',4'',4'''-({4'λ^5^,6λ^5^,6'λ^5^-Spiro[dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6,2'-[1,3,5,2,4,6]triazatriphosphinine]-4',4',6',6'-tetrayl}tetrakis(oxy))tetrabenzaldehyde","IUCrData","2017","2","12","x171712","","10.1107/S2414314617017126","","","1.54184","CuKα","","0.0515","0.047","","","0.1372","0.1434","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1552074","23.2194","0.0002","13.3239","0.00011","20.5843","0.0002","90","","111.85","0.0012","90","","5910.73","0.1","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 N O6 -","- C36 H35 N O6 -","- C288 H280 N8 O48 -","8","2","","Muhammad Sohail; Fujie Tanaka","Dynamic stereoselective annulation via aldol-oxa-cyclization cascade reaction to afford spirooxindole pyran polycycles","Communications Chemistry","2019","2","","73","","10.1038/s42004-019-0177-5","","","1.54184","CuKα","","0.047","0.043","","","0.116","0.1194","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552075","9.50696","0.00008","45.2923","0.0003","13.97165","0.00013","90","","106.387","0.0009","90","","5771.7","0.09","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 N O5 -","- C36 H35 N O5 -","- C288 H280 N8 O40 -","8","2","","Muhammad Sohail; Fujie Tanaka","Dynamic stereoselective annulation via aldol-oxa-cyclization cascade reaction to afford spirooxindole pyran polycycles","Communications Chemistry","2019","2","","73","","10.1038/s42004-019-0177-5","","","1.54184","CuKα","","0.0432","0.0422","","","0.1079","0.1089","","","","","","1.035","","","","has coordinates,has disorder","301780","2025-08-18","21:43:25",""
"1552083","22.783","0.006","6.9395","0.0018","13.581","0.004","90","","92.5935","0.0013","90","","2145","1","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H8 Na2 O23 Si8 Sr2 -","- H8 Na2 O23 Si8 Sr2 -","- H32 Na8 O92 Si32 Sr8 -","4","0.5","","Hae-Kwon Jeong; Sankar Nair; Thomas Vogt; L Charles Dickinson; Michael Tsapatsis","A highly crystalline layered silicate with three-dimensionally microporous layers","Nature Materials","2003","2","","53","58","10.1038/nmat795","powder diffraction","","0.690911","Ka~1~","","","","","","","","","","2.79","","","","","","","has coordinates","269899","2021-10-12","14:02:44",""
"1553040","18.2388","0.0011","14.6418","0.0008","20.7375","0.0012","90","","90.251","0.002","90","","5537.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 N O6 S -","- C27 H31 N O6 S -","- C216 H248 N8 O48 S8 -","8","4","","Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang","Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes","Organic Chemistry Frontiers","2015","2","3","221","","10.1039/C4QO00261J","","","0.71073","MoKα","","0.2011","0.0663","","","0.1128","0.1593","","","","","","0.994","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553041","8.893","0.0002","20.6873","0.0004","9.7453","0.0002","90","","105.318","0.001","90","","1729.17","0.06","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H42 Au Cl N O2 P -","- C38 H42 Au Cl N O2 P -","- C76 H84 Au2 Cl2 N2 O4 P2 -","2","1","","Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang","Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes","Organic Chemistry Frontiers","2015","2","3","221","","10.1039/C4QO00261J","","","0.71073","MoKα","","0.0281","0.0245","","","0.0557","0.057","","","","","","1.05","","","","has coordinates","232992","2020-10-21","18:00:00",""
"1553042","15.865","0.004","16.43","0.004","14.961","0.004","90","","90","","90","","3899.8","1.7","173","2","173","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- C92 H98 N8 -","- C92 H98 N8 -","- C184 H196 N16 -","2","0.5","","Ie, Machiko; Setsune, Jun-ichiro; Eda, Kazuo; Tsuda, Akihiko","Chiroptical sensing of oligonucleotides with a cyclic octapyrrole","Organic Chemistry Frontiers","2015","2","1","29","","10.1039/C4QO00268G","","","0.71073","MoKα","","0.0511","0.0433","","","0.1077","0.1132","","","","","","1.034","","","","has coordinates,has disorder","232994","2020-10-21","18:00:00",""
"1553043","10.255","0.001","10.8108","0.0012","15.4763","0.0016","90","","90","","90","","1715.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng","Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C–H bonds using a removable bidentate auxiliary","Organic Chemistry Frontiers","2015","2","2","119","","10.1039/C4QO00276H","","","0.71073","MoKα","","0.0752","0.05","","","0.1129","0.129","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553044","10.5428","0.0012","16.2625","0.0012","10.8624","0.0015","90","","118.846","0.016","90","","1631.3","0.4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F3 N2 O2 -","- C17 H17 F3 N2 O2 -","- C68 H68 F12 N8 O8 -","4","1","","Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng","Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C–H bonds using a removable bidentate auxiliary","Organic Chemistry Frontiers","2015","2","2","119","","10.1039/C4QO00276H","","","0.71073","MoKα","","0.0864","0.0549","","","0.1359","0.1572","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553045","8.0742","0.0005","12.4409","0.001","17.6473","0.0012","71.94","0.007","79.009","0.006","72.177","0.006","1595.4","0.2","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","2","","Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng","Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C–H bonds using a removable bidentate auxiliary","Organic Chemistry Frontiers","2015","2","2","119","","10.1039/C4QO00276H","","","0.71073","MoKα","","0.0891","0.0554","","","0.1451","0.1689","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553046","9.5524","0.0009","13.2533","0.0012","18.9296","0.0018","101.946","0.001","101.154","0.001","103.248","0.001","2208","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33 F10 Ir N11 P -","- C40 H27 F10 Ir N9 P -","- C80 H54 F20 Ir2 N18 P2 -","2","1","","Cai, Rong; Yan, Wuming; Bologna, Matthew G.; de Silva, Kaushalya; Ma, Zhao; Finklea, Harry O.; Petersen, Jeffrey L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of N-2-aryl-1,2,3-triazole based iridium complexes as photocatalysts with tunable photoredox potential","Organic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QO00281D","","","0.71073","MoKα","","0.0357","0.0296","","","0.074","0.0763","","","","","","0.88","","","","has coordinates","232998","2020-10-21","18:00:00",""
"1553047","11.0054","0.0012","14.2851","0.0015","21.789","0.002","71.698","0.002","89.997","0.002","67.306","0.002","2971.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H23 F2 Ir N8 O -","- C34 H23 F2 Ir N8 O -","- C136 H92 F8 Ir4 N32 O4 -","4","2","","Cai, Rong; Yan, Wuming; Bologna, Matthew G.; de Silva, Kaushalya; Ma, Zhao; Finklea, Harry O.; Petersen, Jeffrey L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of N-2-aryl-1,2,3-triazole based iridium complexes as photocatalysts with tunable photoredox potential","Organic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QO00281D","","","0.71073","MoKα","","0.0479","0.0313","","","0.0754","0.0824","","","","","","1.03","","","","has coordinates","232998","2020-10-21","18:00:00",""
"1553048","10.8466","0.0008","23.0405","0.0016","10.6995","0.0008","90","","102.658","0.001","90","","2608.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N O3 S Si -","- C27 H33 N O3 S Si -","- C108 H132 N4 O12 S4 Si4 -","4","1","","Shen, Kun; Han, Xiuling; Xia, Guoqin; Lu, Xiyan","Cationic Pd(ii)-catalyzed cyclization of N-tosyl-aniline tethered alkynyl ketones initiated by hydropalladation of alkynes: a facile way to 1,2-dihydro or 1,2,3,4-tetrahydroquinoline derivatives","Organic Chemistry Frontiers","2015","2","2","145","","10.1039/C4QO00286E","","","0.71073","MoKα","","0.0638","0.047","","","0.1218","0.1329","","","","","","1.028","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553049","32.673","0.002","12.2122","0.0008","12.9554","0.0009","90","","92.633","0.002","90","","5163.9","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","cd214703","","- C26 H28 Cl N O3 S Si -","- C26 H28 Cl N O3 S Si -","- C208 H224 Cl8 N8 O24 S8 Si8 -","8","1","","Shen, Kun; Han, Xiuling; Xia, Guoqin; Lu, Xiyan","Cationic Pd(ii)-catalyzed cyclization of N-tosyl-aniline tethered alkynyl ketones initiated by hydropalladation of alkynes: a facile way to 1,2-dihydro or 1,2,3,4-tetrahydroquinoline derivatives","Organic Chemistry Frontiers","2015","2","2","145","","10.1039/C4QO00286E","","","0.71073","MoKα","","0.0564","0.0459","","","0.1166","0.1241","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553050","17.5053","0.0019","20.281","0.002","21.1684","0.0018","90","","90","","90","","7515.3","1.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H53 B11 N2 -","- C32 H53 B11 N2 -","- C256 H424 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.2374","0.0733","","","0.1637","0.2567","","","","","","0.996","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553051","17.474","0.002","20.161","0.002","21.123","0.002","90","","90","","90","","7441.5","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H55 B11 N2 -","- C32 H55 B11 N2 -","- C256 H440 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1324","0.0646","","","0.1543","0.1982","","","","","","0.948","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553052","11.591","0.003","15.516","0.004","16.796","0.004","90","","90","","90","","3020.7","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 B11 N2 -","- C26 H43 B11 N2 -","- C104 H172 B44 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1916","0.0773","","","0.1748","0.2472","","","","","","1.058","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553053","10.343","0.004","18.963","0.007","22.347","0.009","90","","90","","90","","4383","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H63 B11 N2 O -","- C41 H63 B11 N2 O -","- C164 H252 B44 N8 O4 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1555","0.0834","","","0.1844","0.2188","","","","","","0.908","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553054","17.5189","0.0009","20.3686","0.0012","21.3348","0.0013","90","","90","","90","","7613","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H55 B11 N2 -","- C33 H55 B11 N2 -","- C264 H440 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1259","0.056","","","0.1254","0.1681","","","","","","1.032","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553055","10.2998","0.0006","16.7445","0.001","19.7479","0.0012","90","","101.979","0.001","90","","3331.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H43 B11 N2 -","- C27 H43 B11 N2 -","- C108 H172 B44 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.0883","0.0653","","","0.2083","0.2231","","","","","","1.096","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553056","10.4375","0.0006","19.3175","0.0009","22.8874","0.0013","90","","90","","90","","4614.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H59 B11 N2 -","- C39 H59 B11 N2 -","- C156 H236 B44 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1296","0.0585","","","0.1179","0.1379","","","","","","0.893","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553057","9.2469","0.0006","12.1137","0.0007","17.1803","0.0011","90","","99.893","0.002","90","","1895.8","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O2 S -","- C20 H23 N3 O2 S -","- C80 H92 N12 O8 S4 -","4","1","","Zhu, Tong-Hao; Wei, Tian-Qi; Wang, Shun-Yi; Ji, Shun-Jun","NIS/CHP-mediated reaction of isocyanides with hydrazones: access to aminopyrazoles","Organic Chemistry Frontiers","2015","2","3","259","","10.1039/C4QO00289J","","","0.71073","MoKα","","0.0775","0.0485","","","0.1168","0.1333","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553058","10.943","0.003","12.564","0.004","18.454","0.005","90","","90","","90","","2537.2","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Br N2 O7 -","- C25 H25 Br N2 O7 -","- C100 H100 Br4 N8 O28 -","4","1","","Sun, Qiang-Sheng; Chen, Xiao-Yang; Zhu, Hua; Lin, Hua; Sun, Xing-Wen; Lin, Guo-Qiang","Asymmetric synthesis of poly-substituted spirocyclohexane oxindole via a squaramide catalyzed cascade Michael–Michael–aldol sequence","Organic Chemistry Frontiers","2015","2","2","110","","10.1039/C4QO00299G","","","0.71073","MoKα","","0.0744","0.0488","","","0.1112","0.1222","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553059","6.6023","0.0006","7.8736","0.0007","32.754","0.003","90","","90","","90","","1702.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O5 -","- C17 H18 Br N O5 -","- C68 H72 Br4 N4 O20 -","4","1","","Li, Ying-Zi; Wang, Jie; Sun, Wang-Bin; Shan, Yi-Fan; Sun, Bing-Feng; Lin, Guo-Qiang; Zou, Jian-Ping","Enantioselective synthesis of bicyclo[2.2.2]octane-1-carboxylates under metal free conditions","Organic Chemistry Frontiers","2015","2","3","274","","10.1039/C4QO00311J","","","0.71073","MoKα","","0.0631","0.0453","","","0.1113","0.1189","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553060","8.7741","0.0001","9.7409","0.0001","14.5365","0.0001","90","","90","","90","","1242.4","0.02","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C48 H68 N4 O16 S4 -","4","1","","Riaño, Iker; Uria, Uxue; Carrillo, Luisa; Reyes, Efraim; Vicario, Jose L.","4-Alkenyl-5H-1,2,3-oxathiazole 2,2-dioxides in catalytic and enantioselective [4 + 2] cycloaddition through iminium activation. Straightforward access to the trans-decaline framework and to densely functionalized cyclohexanes","Organic Chemistry Frontiers","2015","2","3","206","","10.1039/C4QO00316K","","","1.54184","CuKα","","0.0208","0.0205","","","0.0551","0.0553","","","","","","1.102","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553061","3.9045","0.0001","9.1939","0.0003","22.5383","0.0007","88.422","0.002","88.131","0.001","78.161","0.001","791.26","0.04","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C32 H40 O12 -","4","2","","Wang, Qiang; Xu, Qin; Shi, Min","Co-catalysis between DABCO and a Brønsted acid in the catalytic [4 + 2] annulation of isatin with but-3-yn-2-one and mechanistic investigations","Organic Chemistry Frontiers","2015","2","3","211","","10.1039/C4QO00323C","","","1.54178","CuKα","","0.0512","0.0481","","","0.1457","0.1504","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553062","8.1086","0.0014","8.8324","0.0016","13.26","0.002","108.838","0.003","97.636","0.004","94.663","0.004","883","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Wang, Qiang; Xu, Qin; Shi, Min","Co-catalysis between DABCO and a Brønsted acid in the catalytic [4 + 2] annulation of isatin with but-3-yn-2-one and mechanistic investigations","Organic Chemistry Frontiers","2015","2","3","211","","10.1039/C4QO00323C","","","0.71073","MoKα","","0.0869","0.0682","","","0.1926","0.2173","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553063","18.4165","0.0003","18.4165","0.0003","27.9044","0.0007","90","","90","","90","","9464.3","0.3","123.01","0.1","123.01","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C77 H89 Br4 Cl3 F8 I4 N4 O8 -","- C76.74 H88.24 Br4 Cl2.22 F8 I4 N4 O8 -","- C306.96 H352.96 Br16 Cl8.88 F32 I16 N16 O32 -","4","0.25","","Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K.","N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands","Organic Chemistry Frontiers","2015","2","4","340","","10.1039/C4QO00326H","","x-ray","1.54184","CuKα","","0.1264","0.1053","","","0.3","0.3286","","","","","","1.015","","","","has coordinates,has disorder","233014","2020-10-21","18:00:00",""
"1553064","23.3371","0.0003","23.5232","0.0002","27.0473","0.0003","90","","90","","90","","14848","0.3","123.01","0.1","123.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H114 Br4 Cl2 N4 O9 -","- C72 H114 Br4 Cl2 N4 O9 -","- C576 H912 Br32 Cl16 N32 O72 -","8","1","","Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K.","N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands","Organic Chemistry Frontiers","2015","2","4","340","","10.1039/C4QO00326H","","","1.5418","CuKα","","0.0905","0.0778","","","0.2208","0.2411","","","","","","1.051","","","","has coordinates,has disorder","233014","2020-10-21","18:00:00",""
"1553065","24.849","0.003","4.7231","0.0005","14.8643","0.0017","90","","103.467","0.002","90","","1696.6","0.3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(3RS, 4RS)-N-methoxy-3-chloro-4-hydroxy-2,3,4,7-tetrahydro-1H-azepine","","- C7 H7 Cl N O2 -","- C7 H12 Cl N O2 -","- C56 H96 Cl8 N8 O16 -","8","1","","Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S.","New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction","Organic Chemistry Frontiers","2015","2","5","497","","10.1039/C4QO00330F","","","0.71073","MoKα","","0.0797","0.0562","","","0.1727","0.1969","","","","","","1","","","","has coordinates,has disorder","233017","2020-10-21","18:00:00",""
"1553066","9.9549","0.0004","11.3328","0.0005","11.8818","0.0005","106.461","0.0007","101.618","0.0007","100.174","0.0007","1219.6","0.09","100","2","99.65","","","","","","","","","4","P -1","-P 1","2","","(2RS, 3RS)-N-phenylmethoxy-2-hydroxymethyl-3-hydroxy-1,2,3,6-tetrahydropyridine","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","2","","Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S.","New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction","Organic Chemistry Frontiers","2015","2","5","497","","10.1039/C4QO00330F","","","0.71073","MoKα","","0.0618","0.0367","","","0.0677","0.0727","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553067","5.3906","0.0003","15.9299","0.0009","17.3564","0.001","112.457","0.0011","97.7331","0.0011","99.3952","0.0011","1326.85","0.13","100","2","99.65","","","","","","","","","4","P -1","-P 1","2","","(2RS,3RS,4SR,5RS)-N-phenylmethoxy-2-hydroxymethyl-3,4,5-trihydroxypiperidine","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","2","","Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S.","New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction","Organic Chemistry Frontiers","2015","2","5","497","","10.1039/C4QO00330F","","","0.71073","MoKα","","0.0775","0.0467","","","0.1191","0.1352","","","","","","1","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553068","7.1432","0.0004","8.4932","0.0004","10.1874","0.0005","99.388","0.002","97.577","0.002","106.771","0.002","573.27","0.05","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.0375","0.034","","","0.0871","0.0899","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553069","7.0179","0.0008","4.6365","0.0004","29.074","0.003","90","","92.757","0.003","90","","944.93","0.17","193","2","193","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C44 H40 N4 O8 -","2","0.5","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.0705","0.0445","","","0.0972","0.1093","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553070","18.2723","0.0016","5.5654","0.0004","8.7266","0.0007","90","","103.633","0.004","90","","862.43","0.12","193","2","193","2","","","","","","","synthesis as described","4","P 1 c 1","P -2yc","7","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C42 H42 N6 O2 -","2","1","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.0506","0.0412","","","0.1059","0.1114","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553071","11.008","0.003","7.5883","0.0019","19.571","0.005","90","","90.988","0.01","90","","1634.6","0.7","193","2","193","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","2","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.1856","0.0704","","","0.1292","0.172","","","","","","0.972","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553072","9.1264","0.0005","9.7169","0.0006","10.2731","0.0007","95.504","0.004","91.157","0.004","101.221","0.004","888.78","0.1","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C44 H46 N2 O4 -","2","1","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","","0.71073","MoKα","","0.0822","0.0587","","","0.1776","0.217","","","","","","1.079","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553073","5.6257","0.0007","19.7469","0.0019","23.768","0.002","79.737","0.006","88.28","0.007","82.746","0.007","2577.3","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C120 H108 N24 O12 -","6","3","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","","0.71073","MoKα","","0.147","0.0759","","","0.1565","0.1814","","","","","","1.075","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553074","7.1728","0.0002","8.0196","0.0002","12.8455","0.0004","84.142","0.002","89.687","0.002","87.901","0.002","734.56","0.04","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C20 H13 N O4 -","- C20 H13 N O4 -","- C40 H26 N2 O8 -","2","1","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.0478","0.0379","","","0.0976","0.1044","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553075","9.9162","0.0008","14.8123","0.0011","7.3118","0.0006","90","","90","","90","","1073.97","0.15","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H9 N7 O -","- C9 H9 N7 O -","- C36 H36 N28 O4 -","4","1","","Quinodoz, Pierre; Lo, Cheikh; Kletskii, Mikhail; Burov, Oleg; Marrot, Jérôme; Couty, François","Regio- and stereoselective synthesis of α-hydroxy-β-azido tetrazoles","Organic Chemistry Frontiers","2015","2","5","492","","10.1039/C4QO00345D","","","0.71073","MoKα","","0.0476","0.0368","","","0.0819","0.0874","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553076","10.3879","0.0015","10.3879","0.0015","24.218","0.005","90","","90","","120","","2263.2","0.7","296","2","296","2","","","","","","","","5","P 32","P 32","145","","QM-1","","- C15 H13 N O5 S -","- C15 H13 N O5 S -","- C90 H78 N6 O30 S6 -","6","2","","Quan, Mao; Yang, Guoqiang; Xie, Fang; Gridnev, Ilya D.; Zhang, Wanbin","Pd(ii)-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimine esters and a DFT study of its mechanism","Organic Chemistry Frontiers","2015","2","4","398","","10.1039/C4QO00347K","","","1.54178","CuKα","","0.0328","0.0326","","","0.0873","0.0875","","","","","","1.094","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553095","9.017","0.0007","12.174","0.0009","12.8341","0.0009","108.889","0.002","99.634","0.002","109.852","0.002","1191.34","0.16","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","2","","Dethe, Dattatraya H.; Boda, Raghavender; Murhade, Ganesh M.","Lewis acid catalyzed Nazarov type cyclization for the synthesis of a substituted indane framework: total synthesis of (±)-mutisianthol","Organic Chemistry Frontiers","2015","2","6","645","","10.1039/C5QO00005J","","","0.71073","MoKα","","0.1523","0.0964","","","0.2295","0.263","","","","","","1.035","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553096","12.38928","0.00014","20.5595","0.0003","23.639","0.0003","90","","90","","90","","6021.26","0.13","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3,5,7,9-pentakis(4,4,5,5-tetramethyl-1,2,3-dioxaborolane)corannulene","","- C56 H79 B5 O10 -","- C50 H65 B5 O10 -","- C200 H260 B20 O40 -","4","1","","Da Ros, Sara; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Boronic esters of corannulene: potential building blocks toward icosahedral supramolecules","Organic Chemistry Frontiers","2015","2","6","626","","10.1039/C5QO00009B","","","1.54184","CuKα","","0.1125","0.1047","","","0.3114","0.322","","","","","","1.371","","","","has coordinates,has disorder","233586","2020-10-21","18:00:00",""
"1553097","20.2644","0.0002","13.18215","0.00013","8.2499","0.00008","90","","90","","90","","2203.78","0.04","160","2","160","2","","","","","","","","5","P m n 21","P 2ac -2","31","","1,3,5,7,9-pentakis(boronic acid)corannulene cis-cyclopentanediol ester","","- C46 H46 B5 Cl3 O10 -","- C46 H46 B5 Cl3 O10 -","- C92 H92 B10 Cl6 O20 -","2","0.5","","Da Ros, Sara; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Boronic esters of corannulene: potential building blocks toward icosahedral supramolecules","Organic Chemistry Frontiers","2015","2","6","626","","10.1039/C5QO00009B","","","1.5418","CuKα","","0.0536","0.0531","","","0.1436","0.1442","","","","","","1.059","","","","has coordinates,has disorder","233586","2020-10-21","18:00:00",""
"1553098","9.959","0.0011","24.396","0.003","11.0384","0.0012","90","","108.602","0.001","90","","2541.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-bis(4-chlorophenyl)-1,1-diphenyl-1H-benzo[b]silole","","- C32 H22 Cl2 Si -","- C32 H22 Cl2 Si -","- C128 H88 Cl8 Si4 -","4","1","","Xu, Liang; Zhang, Shuai; Li, Pengfei","Synthesis of silafluorenes and silaindenes via silyl radicals from arylhydrosilanes: intramolecular cyclization and intermolecular annulation with alkynes","Organic Chemistry Frontiers","2015","2","5","459","","10.1039/C5QO00012B","","","0.71073","MoKα","","0.0494","0.0374","","","0.0883","0.0941","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553099","5.572","0.0004","15.48","0.001","25.4858","0.0016","90","","90","","90","","2198.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-Butyl (1R,2S,3R,6R,7S,9S)-6-phenyl-8-oxa-2- azatetracyclo[7.7.0.02,7.011,16]hexadeca-11(16),12,14- triene-3-carboxylate","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Arena, Giada; Cini, Elena; Petricci, Elena; Randino, Rosario; Taddei, Maurizio","A highly stereo-controlled protocol to prepare pipecolic acids based on Heck and cyclohydrocarbonylation reactions","Organic Chemistry Frontiers","2015","2","5","526","","10.1039/C5QO00025D","","","0.71073","MoKα","","0.1451","0.0382","","","0.0484","0.0582","","","","","","0.69","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553100","22.264","0.004","10.1945","0.0018","30.92","0.005","90","","91.849","0.003","90","","7014","2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O3.19 -","- C23 H16 O3 -","- C368 H256 O48 -","16","4","","Liu, Tong; Ding, Qiuping; Zong, Qianshou; Qiu, Guanyinsheng","Radical 5-exo cyclization of alkynoates with 2-oxoacetic acids for synthesis of 3-acylcoumarins","Organic Chemistry Frontiers","2015","2","6","670","","10.1039/C5QO00029G","","","0.71073","MoKα","","0.1006","0.0603","","","0.1625","0.1916","","","","","","1.028","","","","has coordinates,has disorder","233594","2020-10-21","18:00:00",""
"1553101","7.159","0.005","9.364","0.005","10.541","0.005","78.846","0.005","82.356","0.005","72.557","0.005","659.3","0.7","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C36 H26 N2 O4 -","2","1","","Dethe, Dattatraya H.; Kumar B, Vijay","Concise asymmetric total synthesis of bruceolline J","Organic Chemistry Frontiers","2015","2","5","548","","10.1039/C5QO00030K","","","0.71069","MoKα","","0.0701","0.0535","","","0.1428","0.1585","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553102","10.786","0.0004","10.786","0.0004","17.286","0.0007","90","","90","","120","","1741.59","0.12","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 Ru Sb2 -","- C30 H24 F12 N6 Ru Sb2 -","- C60 H48 F24 N12 Ru2 Sb4 -","2","0.166667","","Gomes, Filipe; Narbonne, Vanessa; Blanchard, Florent; Maestri, Giovanni; Malacria, Max","Formal base-free homolytic aromatic substitutions via photoredox catalysis","Organic Chemistry Frontiers","2015","2","5","464","","10.1039/C5QO00031A","","","0.71073","MoKα","","0.0862","0.0515","","","0.1511","0.1877","","","","","","1.218","","","","has coordinates","233598","2020-10-21","18:00:00",""
"1553103","6.2097","0.0013","11.272","0.002","11.547","0.003","104.782","0.004","101.238","0.004","100.235","0.004","744.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N O3 S -","- C16 H17 N O3 S -","- C32 H34 N2 O6 S2 -","2","1","","Zhang, Yan-Yan; Hao, Jian; Shi, Min","One pot cascade synthesis of fused heterocycles from furan-tethered terminal alkynes and aldehydes in the presence of amines and CuBr","Organic Chemistry Frontiers","2015","2","4","394","","10.1039/C5QO00033E","","","0.71073","MoKα","","0.0709","0.0656","","","0.1786","0.1866","","","","","","1.065","","","","has coordinates","233600","2020-10-21","18:00:00",""
"1553104","8.3878","0.0016","9.8582","0.0018","19.139","0.003","76.354","0.004","84.421","0.004","73.985","0.004","1477.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","2","","Zhang, Yan-Yan; Hao, Jian; Shi, Min","One pot cascade synthesis of fused heterocycles from furan-tethered terminal alkynes and aldehydes in the presence of amines and CuBr","Organic Chemistry Frontiers","2015","2","4","394","","10.1039/C5QO00033E","","","0.71073","MoKα","","0.0612","0.0513","","","0.1322","0.1397","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553105","14.5933","0.0018","9.6858","0.0012","11.3977","0.0014","90","","92.745","0.003","90","","1609.2","0.3","293","2","293","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","","Zhang, Yan-Yan; Hao, Jian; Shi, Min","One pot cascade synthesis of fused heterocycles from furan-tethered terminal alkynes and aldehydes in the presence of amines and CuBr","Organic Chemistry Frontiers","2015","2","4","394","","10.1039/C5QO00033E","","","0.71073","MoKα","","0.0564","0.0432","","","0.1107","0.1206","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553106","15.713","0.012","28.08","0.02","28.507","0.018","90","","90","","90","","12578","15","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C33 H30 Br N O5 -","- C33 H30 Br N O5 -","- C528 H480 Br16 N16 O80 -","16","2","","Zhang, Jun-Wei; Liu, Xiao-Wei; Gu, Qing; Shi, Xiao-Xin; You, Shu-Li","Enantioselective synthesis of 4,5,6,7-tetrahydroindoles via olefin cross-metathesis/intramolecular Friedel–Crafts alkylation reaction of pyrroles","Organic Chemistry Frontiers","2015","2","5","476","","10.1039/C5QO00034C","","","0.71073","MoKα","","0.1326","0.0686","","","0.1544","0.1759","","","","","","0.891","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553107","5.5881","0.0002","18.985","0.0006","10.6706","0.0004","90","","94.113","0.003","90","","1129.13","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diiodide","","- C17 H0 I2 N3 O6 -","- C10 H7 I2 N O -","- C40 H28 I8 N4 O4 -","4","1","","Zhang, Shuo; Chen, Ying; Wang, Jianwu; Pan, Yue; Xu, Zhenghu; Tung, Chen-Ho","An efficient synthesis of gem-diiodoolefins and (E)-iodoalkenes from propargylic amides with a Cu(i)/Cu(iii) cycle","Organic Chemistry Frontiers","2015","2","5","578","","10.1039/C5QO00043B","","","1.54184","CuKα","","0.1236","0.1113","","","0.2803","0.2931","","","","","","1.212","","","","has coordinates","233604","2020-10-21","18:00:00",""
"1553108","9.2215","0.0006","10.9612","0.0007","11.6484","0.0007","87.764","0.002","69.092","0.003","73.409","0.003","1051.48","0.12","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","zhangshuotrienes","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C46 H50 N2 O10 -","2","1","","Zhang, Shuo; Chen, Ying; Wang, Jianwu; Pan, Yue; Xu, Zhenghu; Tung, Chen-Ho","An efficient synthesis of gem-diiodoolefins and (E)-iodoalkenes from propargylic amides with a Cu(i)/Cu(iii) cycle","Organic Chemistry Frontiers","2015","2","5","578","","10.1039/C5QO00043B","","","1.54178","CuKα","","0.0557","0.0539","","","0.1496","0.1513","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553109","26.291","0.014","8.781","0.005","18.363","0.01","90","","111.863","0.004","90","","3934","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 I O3 -","- C23 H17 I O3 -","- C184 H136 I8 O24 -","8","1","","Zhu, Hai-Tao; Fan, Ming-Jin; Yang, De-Suo; Wang, Xiao-Ling; Ke, Sen; Zhang, Chao-Yang; Guan, Zheng-Hui","An iodine-promoted Meyer–Schuster rearrangement for the synthesis of α-iodo unsaturated ketones","Organic Chemistry Frontiers","2015","2","5","506","","10.1039/C5QO00048C","","","0.71073","MoKα","","0.0365","0.0247","","","0.0479","0.0529","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553110","12.3535","0.0005","28.8354","0.0012","15.2713","0.0006","90","","99.472","0.002","90","","5365.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H49 Cl4 F6 N P3 Rh -","- C59 H49 Cl4 F6 N P3 Rh -","- C236 H196 Cl16 F24 N4 P12 Rh4 -","4","1","","Chen, Shanshan; Su, Yan; Han, Keli; Li, Xingwei","Mechanistic studies on C‒C reductive coupling of five-coordinate Rh(iii) complexes","Organic Chemistry Frontiers","2015","2","7","783","","10.1039/C5QO00049A","","","0.71073","MoKα","","0.083","0.0648","","","0.1762","0.2067","","","","","","1.063","","","","has coordinates","233607","2020-10-21","18:00:00",""
"1553111","10.8319","0.0004","13.2288","0.0004","22.0889","0.0008","75.156","0.002","79.856","0.002","69.201","0.002","2847.44","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H61 F6 N O2 P3 Rh -","- C65 H61 F6 N O2 P3 Rh -","- C130 H122 F12 N2 O4 P6 Rh2 -","2","1","","Chen, Shanshan; Su, Yan; Han, Keli; Li, Xingwei","Mechanistic studies on C–C reductive coupling of five-coordinate Rh(iii) complexes","Organic Chemistry Frontiers","2015","2","7","783","","10.1039/C5QO00049A","","","0.71073","MoKα","","0.0711","0.0586","","","0.1606","0.181","","","","","","1.13","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553112","13.6534","0.0003","25.7008","0.0005","15.5862","0.0003","90","","93.092","0.001","90","","5461.29","0.19","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H46 Cl2 F9 N P3 Rh -","- C59 H46 Cl2 F9 N P3 Rh -","- C236 H184 Cl8 F36 N4 P12 Rh4 -","4","1","","Chen, Shanshan; Su, Yan; Han, Keli; Li, Xingwei","Mechanistic studies on C‒C reductive coupling of five-coordinate Rh(iii) complexes","Organic Chemistry Frontiers","2015","2","7","783","","10.1039/C5QO00049A","","","0.71073","MoKα","","0.0764","0.0533","","","0.1514","0.1829","","","","","","1.017","","","","has coordinates,has disorder","233607","2020-10-21","18:00:00",""
"1553113","16.5731","0.0008","19.6848","0.0007","18.1839","0.0009","90","","112.182","0.002","90","","5493.2","0.4","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 B Cl6 F4 N O Os P2 -","- C58 H52 B Cl6 F4 N O Os P2 -","- C232 H208 B4 Cl24 F16 N4 O4 Os4 P8 -","4","1","","Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping","Reactions of osmapyridinium with terminal alkynes","Organic Chemistry Frontiers","2015","2","5","560","","10.1039/C5QO00052A","","","0.71073","MoKα","","0.0779","0.0643","","","0.171","0.1873","","","","","","1.084","","","","has coordinates","233608","2020-10-21","18:00:00",""
"1553114","11.9299","0.0003","14.1946","0.0003","33.0235","0.0007","90","","98.576","0.001","90","","5529.7","0.2","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56.25 H52.25 B Cl2.75 F4 N O3 Os P2 -","- C56.25 H52.25 B Cl2.75 F4 N O3 Os P2 -","- C225 H209 B4 Cl11 F16 N4 O12 Os4 P8 -","4","1","","Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping","Reactions of osmapyridinium with terminal alkynes","Organic Chemistry Frontiers","2015","2","5","560","","10.1039/C5QO00052A","","","0.71073","MoKα","","0.0694","0.0566","","","0.1635","0.172","","","","","","1.044","","","","has coordinates","233608","2020-10-21","18:00:00",""
"1553115","12.0746","0.0003","18.8448","0.0003","20.9677","0.0004","90","","90.023","0.001","90","","4771.06","0.17","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H43 B Cl5 F4 N3 O Os P -","- C50 H44 B Cl5 F4 N3 O Os P -","- C200 H176 B4 Cl20 F16 N12 O4 Os4 P4 -","4","1","","Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping","Reactions of osmapyridinium with terminal alkynes","Organic Chemistry Frontiers","2015","2","5","560","","10.1039/C5QO00052A","","","0.71073","MoKα","","0.0723","0.0526","","","0.1396","0.1954","","","","","","1.17","","","","has coordinates","233608","2020-10-21","18:00:00",""
"1553116","19.3445","0.0009","16.8974","0.0006","16.1902","0.0007","90","","111.004","0.001","90","","4940.5","0.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C52 H55 B Cl4 F4 N3 Os P -","- C52 H55 B Cl4 F4 N3 Os P -","- C208 H220 B4 Cl16 F16 N12 Os4 P4 -","4","1","","Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping","Reactions of osmapyridinium with terminal alkynes","Organic Chemistry Frontiers","2015","2","5","560","","10.1039/C5QO00052A","","","0.71073","MoKα","","0.0439","0.0344","","","0.0737","0.0858","","","","","","1.091","","","","has coordinates","233608","2020-10-21","18:00:00",""
"1553117","7.2941","0.0002","13.2249","0.0003","17.2264","0.0004","90","","96.919","0.002","90","","1649.62","0.07","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Santos, Hugo; Distiller, Amy; D'Souza, Asha M.; Arnoux, Quentin; White, Jonathan M.; Meyer, Adam G.; Ryan, John H.","1,3-Dipolar cycloaddition reactions of phthalic anhydrides with an azomethine ylide","Organic Chemistry Frontiers","2015","2","6","705","","10.1039/C5QO00062A","","x-ray","0.71073","MoKα","","0.0645","0.0461","","","0.1227","0.1369","","","","","","1.05","","","","has coordinates","233610","2020-10-21","18:00:00",""
"1553118","8.592","0.007","10.956","0.009","16.545","0.014","90","","92.673","0.011","90","","1556","2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 N O4 S Sn -","- C32 H37 N O4 S Sn -","- C64 H74 N2 O8 S2 Sn2 -","2","1","","Kamimura, Akio; Yoshinaga, Tatsuro; Noguchi, Fumiaki; Miyazaki, Koichiro; Uno, Hidemitsu","A mechanistic study on the SHi reaction at tin atoms in a radical cascade reaction","Organic Chemistry Frontiers","2015","2","6","713","","10.1039/C5QO00063G","","","0.71075","MoKα","","0.1065","0.0869","","","0.196","0.2108","","","","","","1.096","","","","has coordinates","233611","2020-10-21","18:00:00",""
"1553119","7.6495","0.0006","12.803","0.0013","16.9343","0.0013","90","","90","","90","","1658.5","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl I O S -","- C16 H16 Cl I O S -","- C64 H64 Cl4 I4 O4 S4 -","4","1","","Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R.","Atroposelective synthesis of axially chiral P,S-ligands based on arynes","Organic Chemistry Frontiers","2015","2","6","634","","10.1039/C5QO00067J","","","0.71073","MoKα","","0.0358","0.0271","","","0.0496","0.0525","","","","","","1.083","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553120","9.4309","0.0003","13.5255","0.0004","19.3191","0.0006","90","","90","","90","","2464.3","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl P S -","- C28 H26 Cl P S -","- C112 H104 Cl4 P4 S4 -","4","1","","Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R.","Atroposelective synthesis of axially chiral P,S-ligands based on arynes","Organic Chemistry Frontiers","2015","2","6","634","","10.1039/C5QO00067J","","","1.54178","CuKα","","0.0529","0.0526","","","0.1372","0.1373","","","","","","1.147","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553121","11.8312","0.0003","15.3726","0.0006","17.795","0.0006","90","","90","","90","","3236.49","0.19","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H34 Cl3 P Pd S -","- C35 H34 Cl3 P Pd S -","- C140 H136 Cl12 P4 Pd4 S4 -","4","1","","Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R.","Atroposelective synthesis of axially chiral P,S-ligands based on arynes","Organic Chemistry Frontiers","2015","2","6","634","","10.1039/C5QO00067J","","","0.71073","MoKα","","0.0801","0.043","","","0.0854","0.1102","","","","","","1.061","","","","has coordinates","233613","2020-10-21","18:00:00",""
"1553122","10.4422","0.0003","33.2582","0.001","10.4466","0.0003","90","","114.77","0.002","90","","3294.2","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 F3 N -","- C19 H20 F3 N -","- C152 H160 F24 N8 -","8","4","","Chen, Mu-Wang; Ye, Zhi-Shi; Chen, Zhang-Pei; Wu, Bo; Zhou, Yong-Gui","Enantioselective synthesis of trifluoromethyl substituted piperidines with multiple stereogenic centers via hydrogenation of pyridinium hydrochlorides","Organic Chemistry Frontiers","2015","2","5","586","","10.1039/C5QO00069F","","","1.54178","CuKα","","0.1075","0.0715","","","0.2153","0.2857","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553123","18.029","0.008","9.695","0.004","14.246","0.007","90","","110.517","0.008","90","","2332.1","1.8","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2-bis(eta-5-cyclopentadienyl)-3-trimethylsilyl-5-dimethylamino-1-thia-2-zirconacyclopenta-3,4-diene","","- C23 H35 N S Si Ti -","- C23 H35 N S Si Ti -","- C92 H140 N4 S4 Si4 Ti4 -","4","1","","Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro","Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes","Organic Chemistry Frontiers","2015","2","6","681","","10.1039/C5QO00072F","","","0.71075","MoKα","","0.0952","0.0619","","","0.1228","0.142","","","","","","1.067","","","","has coordinates","233616","2020-10-21","18:00:00",""
"1553124","18.125","0.005","9.87","0.002","14.346","0.004","90","","110.563","0.004","90","","2402.9","1.1","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2-bis(η5-cyclopentadienyl)-3-tert-butyldimethylsilyl- 5-diethylamino-1-thia-2-zirconacyclopenta-3,4-diene","","- C23 H35 N S Si Zr -","- C23 H35 N S Si Zr -","- C92 H140 N4 S4 Si4 Zr4 -","4","1","","Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro","Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes","Organic Chemistry Frontiers","2015","2","6","681","","10.1039/C5QO00072F","","","0.71073","MoKα","","0.0367","0.0321","","","0.0716","0.075","","","","","","1.124","","","","has coordinates,has disorder","233616","2020-10-21","18:00:00",""
"1553125","15.471","0.008","9.164","0.004","14.06","0.007","90","","108.282","0.006","90","","1892.8","1.6","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2-bis(η5-cyclopentadienyl)-3-trimethylsilyl-5-dimethylamino- 1-thia-2-zirconacyclopenta-3,4-diene","","- C18 H25 N S Si Zr -","- C18 H25 N S Si Zr -","- C72 H100 N4 S4 Si4 Zr4 -","4","1","","Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro","Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes","Organic Chemistry Frontiers","2015","2","6","681","","10.1039/C5QO00072F","","","0.71073","MoKα","","0.0606","0.0448","","","0.0838","0.0939","","","","","","1.098","","","","has coordinates,has disorder","233616","2020-10-21","18:00:00",""
"1553126","6.2605","","6.9304","","14.4299","","92.0278","","99.0665","","112.207","","569.305","","93","","93","","","","","","","","","5","P -1","-P 1","2","","(Z)-N,N-diethyl-3-(tert-butylditrimethylsilyl)prop-2-enethioamide","","- C8 H17 N S Si -","- C8 H17 N S Si -","- C16 H34 N2 S2 Si2 -","2","1","","Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro","Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes","Organic Chemistry Frontiers","2015","2","6","681","","10.1039/C5QO00072F","","","0.71075","MoKα","","0.0906","0.0737","","","0.2217","0.2447","","","","","","1.096","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553127","8.3022","0.0003","11.1608","0.0004","16.3992","0.0006","90","","94.272","0.001","90","","1515.31","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C72 H64 O8 S4 -","4","1","","Chen, Dianpeng; Xing, Gangdong; Zhou, Hongwei","Sulfone promoted Rh(iii)-catalyzed C–H activation and base assisted 1,5-H shift strategy for the construction of seven-membered rings","Organic Chemistry Frontiers","2015","2","8","947","","10.1039/C5QO00089K","","","0.71073","MoKα","","0.052","0.0449","","","0.1103","0.1159","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553128","8.6808","0.0008","8.9707","0.0006","11.2873","0.001","104.818","0.006","112.003","0.008","92.742","0.006","777.67","0.13","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Liu, Xianglei; Gu, Zhenhua","Pd-catalyzed Heck cyclization and in situ hydrocarboxylation or hydromethenylation via a hydrogen borrowing strategy","Organic Chemistry Frontiers","2015","2","7","778","","10.1039/C5QO00091B","","","1.54184","CuKα","","0.0609","0.0568","","","0.1606","0.1664","","","","","","1.072","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553129","5.9958","0.0012","13.644","0.003","17.789","0.004","90","","90","","90","","1455.3","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 F O2 -","- C16 H25 F O2 -","- C64 H100 F4 O8 -","4","1","","Zhang, Xiaofei; Guo, Shuo; Tang, Pingping","Transition-metal free oxidative aliphatic C–H fluorination","Organic Chemistry Frontiers","2015","2","7","806","","10.1039/C5QO00095E","","","0.71073","MoKα","","0.0574","0.0549","","","0.1577","0.16","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553130","8.7359","0.0017","12.804","0.003","20.625","0.004","90","","90","","90","","2307","0.8","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 F O8 -","- C24 H31 F O8 -","- C96 H124 F4 O32 -","4","1","","Zhang, Xiaofei; Guo, Shuo; Tang, Pingping","Transition-metal free oxidative aliphatic C–H fluorination","Organic Chemistry Frontiers","2015","2","7","806","","10.1039/C5QO00095E","","","0.71073","MoKα","","0.0843","0.0615","","","0.1225","0.1344","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553131","12.1876","0.0018","9.8204","0.0014","15.854","0.002","90","","96.796","0.003","90","","1884.2","0.5","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","(POX)PdCl2","","- C16 H24 Cl2 N2 O Pd -","- C16 H24 Cl2 N2 O Pd -","- C64 H96 Cl8 N8 O4 Pd4 -","4","2","","Yu, Feng; Chen, Pinhong; Liu, Guosheng","Pd(ii)-catalyzed intermolecular enantioselective hydroamination of styrenes","Organic Chemistry Frontiers","2015","2","7","819","","10.1039/C5QO00096C","","","0.71073","MoKα","","0.0974","0.0638","","","0.118","0.1327","","","","","","1.023","","","","has coordinates","233622","2020-10-21","18:00:00",""
"1553132","10.291","0.002","5.9808","0.0012","12.068","0.002","90","","103.531","0.003","90","","722.1","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H23 N O3 S -","- C13 H23 N O3 S -","- C26 H46 N2 O6 S2 -","2","1","","Ye, Jian-Liang; Zhang, Yu-Feng; Liu, Yang; Zhang, Jin-Yuan; Ruan, Yuan-Ping; Huang, Pei-Qiang","Studies on the asymmetric synthesis of pandamarilactonines: an unexpected syn-selective vinylogous Mannich reaction of N-tert-butanesulfinimines","Organic Chemistry Frontiers","2015","2","6","697","","10.1039/C5QO00098J","","","0.71073","MoKα","","0.0315","0.0314","","","0.088","0.088","","","","","","1.066","","","","has coordinates","300101","2025-06-17","17:58:10",""
"1553133","10.3564","0.0013","12.0563","0.0015","14.1956","0.0018","69.77","0.005","82.139","0.006","68.496","0.005","1547.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","Benzyl 2-diethoxyphosphoryloxy-2,3-diphenyl-3-(N-tosylamino)propioate","","- C33 H36 N O8 P S -","- C33 H36 N O8 P S -","- C66 H72 N2 O16 P2 S2 -","2","1","","Kondoh, Azusa; Terada, Masahiro","Brønsted base-catalyzed α-oxygenation of carbonyl compounds utilizing the [1,2]-phospha-Brook rearrangement","Organic Chemistry Frontiers","2015","2","7","801","","10.1039/C5QO00108K","","","0.71075","MoKα","","0.073","0.0627","","","0.1554","0.1641","","","","","","1.041","","","","has coordinates","233625","2020-10-21","18:00:00",""
"1553134","7.82043","0.00019","10.2265","0.0003","17.491","0.0004","90","","90","","90","","1398.85","0.06","299","0.4","299","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O7 S2 -","- C11 H13 N O7 S2 -","- C44 H52 N4 O28 S8 -","4","1","","Kang, Jian; Zhu, Baofu; Liu, Jiewei; Wang, Bo; Zhang, Li; Su, Cheng-Yong","Chiral dirhodium catalysts derived from l-serine, l-threonine and l-cysteine: design, synthesis and application","Organic Chemistry Frontiers","2015","2","8","890","","10.1039/C5QO00110B","","","1.54184","CuKα","","0.0375","0.0355","","","0.1101","0.1128","","","","","","0.945","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553135","15.41418","0.00014","15.41418","0.00014","5.95145","0.0001","90","","90","","90","","1414.05","0.03","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H12 N2 O7 S -","- C11 H12 N2 O7 S -","- C44 H48 N8 O28 S4 -","4","1","","Kang, Jian; Zhu, Baofu; Liu, Jiewei; Wang, Bo; Zhang, Li; Su, Cheng-Yong","Chiral dirhodium catalysts derived from l-serine, l-threonine and l-cysteine: design, synthesis and application","Organic Chemistry Frontiers","2015","2","8","890","","10.1039/C5QO00110B","","","1.54178","CuKα","","0.0387","0.0348","","","0.0932","0.095","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553136","12.8276","0.0003","8.4882","0.0002","24.8068","0.0007","90","","91.044","0.002","90","","2700.6","0.12","291","2","291.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","2","","Zhang, Duo; Cui, Xiuling; Yang, Fangfang; Zhang, Qianqian; Zhu, Yu; Wu, Yangjie","Palladium-catalyzed direct ortho C‒O bond construction of azoxybenzenes with carboxylic acids and alcohols","Organic Chemistry Frontiers","2015","2","8","951","","10.1039/C5QO00120J","","","1.54184","CuKα","","0.0653","0.0478","","","0.1264","0.1417","","","","","","1.026","","","","has coordinates","233629","2020-10-21","18:00:00",""
"1553137","14.4863","0.0004","17.2032","0.0005","11.5651","0.0005","90","","105.969","0.004","90","","2770.93","0.17","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 F3 N4 O6 Pd2 -","- C28 H21 F3 N4 O6 Pd2 -","- C112 H84 F12 N16 O24 Pd8 -","4","1","","Zhang, Duo; Cui, Xiuling; Yang, Fangfang; Zhang, Qianqian; Zhu, Yu; Wu, Yangjie","Palladium-catalyzed direct ortho C‒O bond construction of azoxybenzenes with carboxylic acids and alcohols","Organic Chemistry Frontiers","2015","2","8","951","","10.1039/C5QO00120J","","","0.71073","MoKα","","0.0723","0.0518","","","0.1342","0.1466","","","","","","1.05","","","","has coordinates","233629","2020-10-21","18:00:00",""
"1553138","6.8879","0.0009","8.282","0.0009","14.4023","0.001","104.655","0.008","94.121","0.009","91.668","0.01","791.85","0.15","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","Zhang, Duo; Cui, Xiuling; Yang, Fangfang; Zhang, Qianqian; Zhu, Yu; Wu, Yangjie","Palladium-catalyzed direct ortho C–O bond construction of azoxybenzenes with carboxylic acids and alcohols","Organic Chemistry Frontiers","2015","2","8","951","","10.1039/C5QO00120J","","","0.71073","MoKα","","0.0839","0.0508","","","0.1181","0.1377","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553139","8.6248","0.0011","9.8158","0.0012","11.6537","0.0014","99.05","0.002","101.411","0.002","96.596","0.002","944.1","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N O2 S -","- C20 H26 N O2 S -","- C40 H52 N2 O4 S2 -","2","1","","Pan, Dong; Chen, Gen-Qiang; Tang, Xiang-Ying; Shi, Min","Palladium-catalyzed intramolecular rearrangement of vinylidenecyclopropanes through C‒C bond activation","Organic Chemistry Frontiers","2015","2","7","792","","10.1039/C5QO00127G","","","0.71073","MoKα","","0.0541","0.0433","","","0.1264","0.1398","","","","","","1.053","","","","has coordinates","233631","2020-10-21","18:00:00",""
"1553140","8.5768","0.0009","10.2978","0.0011","28.986","0.003","90","","90.183","0.002","90","","2560.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 N O2 S -","- C30 H31 N O2 S -","- C120 H124 N4 O8 S4 -","4","1","","Pan, Dong; Chen, Gen-Qiang; Tang, Xiang-Ying; Shi, Min","Palladium-catalyzed intramolecular rearrangement of vinylidenecyclopropanes through C–C bond activation","Organic Chemistry Frontiers","2015","2","7","792","","10.1039/C5QO00127G","","","0.71073","MoKα","","0.0627","0.049","","","0.1211","0.1312","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553141","9.8915","0.0004","9.4814","0.0004","11.942","0.0005","90","","102.048","0.004","90","","1095.31","0.08","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,8R)-3j'","","- C21 H22 Br N3 O5 -","- C21 H22 Br N3 O5 -","- C42 H44 Br2 N6 O10 -","2","1","","Hu, Ying; Zhou, Zijun; Gong, Lei; Meggers, Eric","Asymmetric aza-Henry reaction to provide oxindoles with quaternary carbon stereocenter catalyzed by a metal-templated chiral Brønsted base","Organic Chemistry Frontiers","2015","2","8","968","","10.1039/C5QO00132C","","","0.71073","MoKα","","0.0403","0.0376","","","0.103","0.1077","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553142","7.1573","0.0004","21.4898","0.0009","9.4975","0.0004","90","","90","","90","","1460.8","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(Z)-1j","","- C14 H15 Br N2 O3 -","- C14 H15 Br N2 O3 -","- C56 H60 Br4 N8 O12 -","4","1","","Hu, Ying; Zhou, Zijun; Gong, Lei; Meggers, Eric","Asymmetric aza-Henry reaction to provide oxindoles with quaternary carbon stereocenter catalyzed by a metal-templated chiral Brønsted base","Organic Chemistry Frontiers","2015","2","8","968","","10.1039/C5QO00132C","","","0.71073","MoKα","","0.0376","0.0344","","","0.0787","0.0811","","","","","","0.999","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553143","13.25","0.0002","16.9695","0.0003","23.3436","0.0004","90","","103.948","0.0018","90","","5093.95","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H66 Cl34 N8 P2 Ru2 -","- C70 H66 Cl34 N8 P2 Ru2 -","- C140 H132 Cl68 N16 P4 Ru4 -","2","0.5","","Mejuto, Carmen; García-Eleno, Marco A.; Guisado-Barrios, Gregorio; Spasyuk, Denis; Gusev, Dmitri; Peris, Eduardo","Ruthenium complexes with an N-heterocyclic carbene NNC-pincer ligand: preparation and catalytic properties","Organic Chemistry Frontiers","2015","2","8","936","","10.1039/C5QO00137D","","x-ray","1.54184","CuKα","","0.0901","0.0721","","","0.1832","0.2154","","","","","","1.127","","","","has coordinates,has disorder","233636","2020-10-21","18:00:00",""
"1553144","18.2792","0.0003","11.74106","0.00011","17.1049","0.0002","90","","117.389","0.0018","90","","3259.49","0.09","199.95","0.1","199.95","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl2 N4 O5 P Ru -","- C32 H35 Cl2 N4 O5 P Ru -","- C128 H140 Cl8 N16 O20 P4 Ru4 -","4","1","","Mejuto, Carmen; García-Eleno, Marco A.; Guisado-Barrios, Gregorio; Spasyuk, Denis; Gusev, Dmitri; Peris, Eduardo","Ruthenium complexes with an N-heterocyclic carbene NNC-pincer ligand: preparation and catalytic properties","Organic Chemistry Frontiers","2015","2","8","936","","10.1039/C5QO00137D","","","1.54184","CuKα","","0.0407","0.0355","","","0.0931","0.0963","","","","","","1.107","","","","has coordinates","233636","2020-10-21","18:00:00",""
"1553145","8.4926","0.0017","12.013","0.002","19.248","0.004","90","","90","","90","","1963.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 O3 P -","- C26 H17 O3 P -","- C104 H68 O12 P4 -","4","1","","Xu, Guangqing; Li, Minghong; Wang, Shouliang; Tang, Wenjun","Efficient synthesis of P-chiral biaryl phosphonates by stereoselective intramolecular cyclization","Organic Chemistry Frontiers","2015","2","10","1342","","10.1039/C5QO00142K","","","1.54178","CuKα","","0.0398","0.0394","","","0.1233","0.1239","","","","","","1.098","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553146","32.577","0.006","10.964","0.002","15.077","0.003","90","","101.267","0.006","90","","5281.3","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Au I N3 O -","- C25 H22 Au I N3 O -","- C200 H176 Au8 I8 N24 O8 -","8","1","","Xu, Qin; Gu, Peng; Wang, Feijun; Shi, Min","Selectfluor promoted NHC‒oxazoline gold(i) complex catalyzed cycloaddition/oxidation reaction of enynones with alkenes","Organic Chemistry Frontiers","2015","2","11","1475","","10.1039/C5QO00155B","","","0.71073","MoKα","","0.0668","0.043","","","0.1081","0.1187","","","","","","0.965","","","","has coordinates,has disorder","233640","2020-10-21","18:00:00",""
"1553147","10.3025","0.0005","16.0231","0.0008","26.3966","0.0014","90","","90","","90","","4357.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Au I N3 O -","- C23 H19 Au I N3 O -","- C184 H152 Au8 I8 N24 O8 -","8","2","","Xu, Qin; Gu, Peng; Wang, Feijun; Shi, Min","Selectfluor promoted NHC‒oxazoline gold(i) complex catalyzed cycloaddition/oxidation reaction of enynones with alkenes","Organic Chemistry Frontiers","2015","2","11","1475","","10.1039/C5QO00155B","","","0.71073","MoKα","","0.0467","0.0368","","","0.0704","0.0742","","","","","","0.924","","","","has coordinates","233640","2020-10-21","18:00:00",""
"1553148","5.8507","0.001","14.177","0.002","30.834","0.004","90","","90","","90","","2557.5","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O10 -","- C24 H34 O10 -","- C96 H136 O40 -","4","1","","Huang, Xin; Xue, Can; Fu, Chunling; Ma, Shengming","A concise construction of carbohydrate-tethered axially chiral allenes via copper catalysis","Organic Chemistry Frontiers","2015","2","9","1040","","10.1039/C5QO00164A","","","0.71073","MoKα","","0.102","0.08","","","0.2036","0.2267","","","","","","1.094","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553149","10.8569","0.0001","14.913","0.0002","23.1808","0.0016","90","","90","","90","","3753.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O6 -","- C21 H19 N O6 -","- C168 H152 N8 O48 -","8","2","","Duan, Jindian; Cheng, Jing; Li, Pengfei","Enantioselective construction of spiro-1,3-indandiones with three stereocenters via organocatalytic Michael-aldol reaction of 2-arylideneindane-1,3-diones and nitro aldehydes","Organic Chemistry Frontiers","2015","2","9","1048","","10.1039/C5QO00166H","","","1.54187","CuKα","","0.1036","0.0978","","","0.2475","0.2574","","","","","","1.097","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553150","13.093","0.003","25.621","0.005","27.14","0.005","90","","90","","90","","9104","3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H74 I2 N36 O16 -","- C72 H74 I2 N36 O16 -","- C288 H296 I8 N144 O64 -","4","1","","Zhou, Tian-You; Qi, Qiao-Yan; Zhang, Ying; Xu, Xiao-Na; Zhao, Xin","A thermally stable pH-responsive “supramolecular buckle” based on the encapsulation of 4-(4-aminophenyl)-N-methylpyridinium by cucurbit[8]uril","Organic Chemistry Frontiers","2015","2","9","1030","","10.1039/C5QO00168D","","","1.54178","CuKα","","0.0868","0.079","","","0.2324","0.2433","","","","","","1.062","","","","has coordinates","233644","2020-10-21","18:00:00",""
"1553151","20.293","0.0002","6.84225","0.00008","22.5979","0.0002","90","","90.8593","0.0009","90","","3137.36","0.06","99.94","0.17","99.94","0.17","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0359","0.0343","","","0.1356","0.1396","","","","","","1.301","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553152","7.63367","0.00018","29.2305","0.0005","6.84862","0.00015","90","","102.295","0.002","90","","1493.12","0.06","99.94","0.19","99.94","0.19","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0414","0.0367","","","0.0895","0.0934","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553153","12.4972","0.0002","14.1613","0.0002","17.5538","0.0003","90","","90","","90","","3106.61","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0422","0.0379","","","0.0934","0.0966","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553154","6.86998","0.00008","15.21957","0.0002","27.0563","0.0004","90","","90","","90","","2828.96","0.06","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","2","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","","1.54184","CuKα","","0.0307","0.0289","","","0.069","0.0703","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553155","6.98428","0.00014","15.3845","0.0004","16.6168","0.0004","110.497","0.002","97.0023","0.0018","102.274","0.0019","1596.16","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","2","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","","1.54184","CuKα","","0.0571","0.042","","","0.1573","0.1611","","","","","","1.271","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553156","6.8071","0.0003","15.0202","0.0007","15.8559","0.0008","90.798","0.004","101.156","0.004","100.035","0.004","1564.3","0.13","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","2","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0526","0.0391","","","0.0972","0.1067","","","","","","1.013","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553157","7.5414","0.0003","11.8446","0.0005","12.2635","0.0005","80.154","0.004","88.093","0.004","88.519","0.003","1078.48","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","2","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","","1.54184","CuKα","","0.0469","0.0399","","","0.0984","0.1031","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553158","12.55604","0.00014","15.09459","0.00013","18.9643","0.00017","90","","105.866","0.001","90","","3457.35","0.06","99.9","0.2","99.9","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N2 O -","- C46 H42 N2 O -","- C184 H168 N8 O4 -","4","0.5","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0391","0.0364","","","0.0892","0.0919","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553159","10.1705","0.0003","10.2903","0.0003","19.4528","0.0005","99.778","0.002","99.679","0.002","106.888","0.002","1868.04","0.1","99.99","0.11","99.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C48 H46 N2 O3 -","- C48 H46 N2 O3 -","- C96 H92 N4 O6 -","2","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0942","0.0863","","","0.2303","0.2339","","","","","","1.157","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553160","11.9986","0.0002","10.6018","0.00016","20.9045","0.0004","90","","104.851","0.0019","90","","2570.36","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N2 O -","- C34 H34 N2 O -","- C136 H136 N8 O4 -","4","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0485","0.0404","","","0.1016","0.11","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553161","18.06936","0.00019","17.802","0.0002","18.2203","0.0002","90","","90.5295","0.001","90","","5860.69","0.11","173","0.14","173","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C240 H288 N32 O32 -","16","4","","Huang, Pei-Qiang; Ou, Wei; Ye, Jian-Liang","Aza-Knoevenagel-type condensation of secondary amides: direct access to N-monosubstituted β,β-difunctionalized enamines","Organic Chemistry Frontiers","2015","2","9","1094","","10.1039/C5QO00191A","","","1.54184","CuKα","","0.0559","0.0498","","","0.1319","0.1382","","","","","","1.0616","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553162","9.4647","0.0007","5.7312","0.0005","22.1678","0.0018","90","","100.283","0.001","90","","1183.16","0.17","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F3 O2 S2 -","- C10 H9 F3 O2 S2 -","- C40 H36 F12 O8 S8 -","4","1","","Yang, Hai-Bin; Fan, Xing; Wei, Yin; Shi, Min","Solvent-controlled nucleophilic trifluoromethylthiolation of Morita–Baylis–Hillman carbonates: dual roles of DABCO in activating the Zard's trifluoromethylthiolation reagent and the MBH carbonates","Organic Chemistry Frontiers","2015","2","9","1088","","10.1039/C5QO00198F","","","0.71073","MoKα","","0.0717","0.0645","","","0.1972","0.2047","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553163","10.695","0.002","21.389","0.004","9.1312","0.0018","90","","99.66","0.03","90","","2059.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Li, Ming; Qiu, Bin; Kong, Xiang-Jing; Wen, Li-Rong","Synthesis of Passerini adducts from aldehydes and isocyanides under the auxiliary of water","Organic Chemistry Frontiers","2015","2","10","1326","","10.1039/C5QO00202H","","","0.71073","MoKα","","0.1696","0.1321","","","0.2121","0.2283","","","","","","1.243","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553164","12.5003","0.0011","9.5999","0.0008","34.846","0.003","90","","90","","90","","4181.6","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl N O4 -","- C22 H24 Cl N O4 -","- C176 H192 Cl8 N8 O32 -","8","1","","Li, Ming; Qiu, Bin; Kong, Xiang-Jing; Wen, Li-Rong","Synthesis of Passerini adducts from aldehydes and isocyanides under the auxiliary of water","Organic Chemistry Frontiers","2015","2","10","1326","","10.1039/C5QO00202H","","","0.71073","MoKα","","0.0973","0.0465","","","0.094","0.1073","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553165","8.8044","0.0012","9.6097","0.0013","13.3333","0.0018","93.346","0.003","95.699","0.003","90.433","0.003","1120.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C60 H46 N2 O4 -","2","1","","Guo, Tenglong; Jiang, Quanbin; Yu, Zhengkun","Palladium-catalyzed oxidative annulation of in situ generated enones to pyrroles: a concise route to functionalized indoles","Organic Chemistry Frontiers","2015","2","10","1361","","10.1039/C5QO00203F","","","0.71073","MoKα","","0.0715","0.0548","","","0.1535","0.1704","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553166","7.008","0.002","13.515","0.004","19.467","0.006","90","","90","","90","","1843.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N4 O -","- C10 H8 N4 O -","- C80 H64 N32 O8 -","8","1","","Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei","The development of carbene-stabilized N–O radical coupling strategy in metal-free regioselective C–H azidation of quinoline N-oxides","Organic Chemistry Frontiers","2015","2","10","1313","","10.1039/C5QO00204D","","","0.71073","MoKα","","0.0925","0.0571","","","0.1495","0.1799","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553167","10.974","0.009","13.036","0.01","14.337","0.011","68.085","0.014","67.898","0.013","73.316","0.014","1737","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","alkyne-phenyl","","- C25 H0 N24 O0.5 -","- C40 H32 O11 -","- C80 H64 O22 -","2","1","","Song, Chuanling; Sun, Yihua; Wang, Jianwu; Chen, Hui; Yao, Jiannian; Tung, Chen-Ho; Xu, Zhenghu","Successive Cu/Pd transmetalation relay catalysis in stereoselective synthesis of tetraarylethenes","Organic Chemistry Frontiers","2015","2","10","1366","","10.1039/C5QO00205B","","","0.71073","MoKα","","0.1091","0.0716","","","0.2036","0.2373","","","","","","1.028","","","","has coordinates","233657","2020-10-21","18:00:00",""
"1553168","8.621","0.0011","21.744","0.003","18.379","0.002","90","","100.954","0.003","90","","3382.5","0.7","298","2","298.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","alkyne-butyle","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","0.5","","Song, Chuanling; Sun, Yihua; Wang, Jianwu; Chen, Hui; Yao, Jiannian; Tung, Chen-Ho; Xu, Zhenghu","Successive Cu/Pd transmetalation relay catalysis in stereoselective synthesis of tetraarylethenes","Organic Chemistry Frontiers","2015","2","10","1366","","10.1039/C5QO00205B","","","0.71073","MoKα","","0.1231","0.052","","","0.1163","0.1443","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553169","9.7518","0.0003","17.4971","0.0005","20.0458","0.0007","90","","101.206","0.003","90","","3355.17","0.19","298.5","0.2","298.5","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","alkyne amide","","- C33 H41 N O9 -","- C33 H41 N O9 -","- C132 H164 N4 O36 -","4","1","","Song, Chuanling; Sun, Yihua; Wang, Jianwu; Chen, Hui; Yao, Jiannian; Tung, Chen-Ho; Xu, Zhenghu","Successive Cu/Pd transmetalation relay catalysis in stereoselective synthesis of tetraarylethenes","Organic Chemistry Frontiers","2015","2","10","1366","","10.1039/C5QO00205B","","","1.54184","CuKα","","0.1056","0.0624","","","0.1931","0.206","","","","","","1.226","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553170","8.503","0.0006","10.6762","0.0005","15.8607","0.001","76.75","0.005","81.107","0.005","88.437","0.005","1384.6","0.15","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","2","","Li, Siyu; Li, Xiang; Yang, Fan; Wu, Yangjie","Copper-catalyzed direct decarboxylative hydrosulfonylation of aryl propiolic acids with sulfonylhydrazides leading to vinylsulfones","Organic Chemistry Frontiers","2015","2","9","1076","","10.1039/C5QO00212E","","","1.54184","CuKα","","0.0743","0.063","","","0.1737","0.1857","","","","","","1.084","","","","has coordinates","233659","2020-10-21","18:00:00",""
"1553171","10.2945","0.0008","18.1137","0.0016","14.6463","0.0012","90","","105.831","0.002","90","","2627.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N3 O4 S2 -","- C28 H29 N3 O4 S2 -","- C112 H116 N12 O16 S8 -","4","1","","Zhang, Yong-Sheng; Tang, Xiang-Ying; Shi, Min","Divergent synthesis of indole-fused polycycles via Rh(ii)-catalyzed intramolecular [3 + 2] cycloaddition and C–H functionalization of indolyltriazoles","Organic Chemistry Frontiers","2015","2","11","1516","","10.1039/C5QO00216H","","","0.71073","MoKα","","0.0787","0.0519","","","0.1435","0.1647","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553172","11.3585","0.001","11.981","0.001","13.438","0.0012","106.42","0.002","108.985","0.002","104.217","0.002","1539.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl3 N3 O4 S2 -","- C27 H24 Cl3 N3 O4 S2 -","- C54 H48 Cl6 N6 O8 S4 -","2","1","","Zhang, Yong-Sheng; Tang, Xiang-Ying; Shi, Min","Divergent synthesis of indole-fused polycycles via Rh(ii)-catalyzed intramolecular [3 + 2] cycloaddition and C–H functionalization of indolyltriazoles","Organic Chemistry Frontiers","2015","2","11","1516","","10.1039/C5QO00216H","","","0.71073","MoKα","","0.0669","0.0531","","","0.1487","0.158","","","","","","1.085","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553173","12.89225","0.00014","15.11065","0.00014","24.8076","0.0003","90","","101.997","0.001","90","","4727.22","0.09","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H23 Cl F7 N O -","- C26 H23 Cl F7 N O -","- C208 H184 Cl8 F56 N8 O8 -","8","2","","Lao, Ye-Xing; Wu, Jia-Qiang; Chen, Yunyun; Zhang, Shang-Shi; Li, Qingjiang; Wang, Honggen","Palladium-catalyzed methylene C(sp3)–H arylation of the adamantyl scaffold","Organic Chemistry Frontiers","2015","2","10","1374","","10.1039/C5QO00218D","","x-ray","1.54184","CuKα","","0.0304","0.0289","","","0.0725","0.0738","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553174","11.6048","0.0014","11.0429","0.0014","22.106","0.003","90","","94.237","0.002","90","","2825.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N3 -","- C9 H6 F3 N3 -","- C108 H72 F36 N36 -","12","3","","Wang, Shuai; Yang, Li-Jun; Zeng, Jun-Liang; Zheng, Yan; Ma, Jun-An","Silver-catalyzed [3 + 2] cycloaddition of isocyanides with diazo compounds: new regioselective access to 1,4-disubstituted-1,2,3-triazoles","Organic Chemistry Frontiers","2015","2","11","1468","","10.1039/C5QO00219B","","","0.71073","MoKα","","0.1446","0.0711","","","0.1935","0.2481","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553175","10.63","0.007","8.222","0.005","13.645","0.008","90","","100.814","0.005","90","","1171.4","1.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F6 N3 -","- C11 H7 F6 N3 -","- C44 H28 F24 N12 -","4","1","","Wang, Shuai; Yang, Li-Jun; Zeng, Jun-Liang; Zheng, Yan; Ma, Jun-An","Silver-catalyzed [3 + 2] cycloaddition of isocyanides with diazo compounds: new regioselective access to 1,4-disubstituted-1,2,3-triazoles","Organic Chemistry Frontiers","2015","2","11","1468","","10.1039/C5QO00219B","","","0.71073","MoKα","","0.0627","0.0517","","","0.1428","0.1525","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553176","28.386","0.007","9.195","0.002","17.591","0.005","90","","125.324","0.008","90","","3746.1","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(2-chlorophenyl)-2,5-diphenylpentane-1,5-dione","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C184 H152 Cl8 O16 -","8","1","","Li, Yang; Liu, Bang; Ouyang, Xuan-Hui; Song, Ren-Jie; Li, Jin-Heng","Alkylation/1,2-aryl migration of α-aryl allylic alcohols with α-carbonyl alkyl bromides using visible-light photoredox catalysis","Organic Chemistry Frontiers","2015","2","11","1457","","10.1039/C5QO00220F","","","0.71073","MoKα","","0.0845","0.0545","","","0.1378","0.1529","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553177","8.8674","0.0018","9.3784","0.0019","16.618","0.003","82.99","0.03","87.24","0.03","62.65","0.03","1218.3","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Br2 N5 O2 -","- C25 H27 Br2 N5 O2 -","- C50 H54 Br4 N10 O4 -","2","1","","Zende, V. M.; Schulzke, C.; Kapdi, A. R.","Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki–Miyaura arylation of bromoanthracene and related substrates","Organic Chemistry Frontiers","2015","2","10","1397","","10.1039/C5QO00236B","","","0.71073","MoKα","","0.0702","0.0541","","","0.1482","0.1615","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553178","23.657","0.005","7.2556","0.0015","18.859","0.004","90","","111.31","0.03","90","","3015.7","1.3","170","2","170","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C168 H112 O16 -","8","1","","Zende, V. M.; Schulzke, C.; Kapdi, A. R.","Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki–Miyaura arylation of bromoanthracene and related substrates","Organic Chemistry Frontiers","2015","2","10","1397","","10.1039/C5QO00236B","","","0.71073","MoKα","","0.0854","0.0448","","","0.1102","0.1314","","","","","","0.929","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553179","10.441","0.002","7.4965","0.0015","22.577","0.005","90","","94.06","0.03","90","","1762.7","0.6","170","2","170","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Zende, V. M.; Schulzke, C.; Kapdi, A. R.","Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki–Miyaura arylation of bromoanthracene and related substrates","Organic Chemistry Frontiers","2015","2","10","1397","","10.1039/C5QO00236B","","","0.71073","MoKα","","0.0821","0.0478","","","0.12","0.1375","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553180","10.596","0.002","13.501","0.003","12.12","0.002","90","","90.38","0.03","90","","1733.8","0.6","170","2","170","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Zende, V. M.; Schulzke, C.; Kapdi, A. R.","Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki–Miyaura arylation of bromoanthracene and related substrates","Organic Chemistry Frontiers","2015","2","10","1397","","10.1039/C5QO00236B","","","0.71073","MoKα","","0.0521","0.0447","","","0.1214","0.127","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553181","10.767","0.0009","11.483","0.0009","19.2866","0.0015","88.719","0.003","87.476","0.003","80.292","0.003","2347.8","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N O4 -","- C29 H27 N O4 -","- C116 H108 N4 O16 -","4","2","","Patra, Atanu; Bhunia, Anup; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Diastereoselective synthesis of cyclopentanone-fused spirooxindoles by N-heterocyclic carbene-catalyzed homoenolate annulation with isatilidenes","Organic Chemistry Frontiers","2015","2","12","1584","","10.1039/C5QO00242G","","","0.71073","MoKα","","0.0393","0.0357","","","0.0876","0.0906","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553183","6.3258","0.0002","17.6205","0.0006","20.9213","0.0007","90","","90","","90","","2331.97","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","scm5-1986","","- C21 H33 N O4 Si -","- C21 H33 N O4 Si -","- C84 H132 N4 O16 Si4 -","4","1","","Si, Chang-Mei; Mao, Zhuo-Ya; Liu, Yi-Wen; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective formation of chiral trans-4-hydroxy-5-substituted 2-pyrrolidinones: syntheses of streptopyrrolidine and 3-epi-epohelmin A","Organic Chemistry Frontiers","2015","2","11","1485","","10.1039/C5QO00250H","","","0.71073","MoKα","","0.1041","0.0518","","","0.1285","0.1503","","","","","","0.933","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553184","13.06","0.0008","13.2703","0.0007","29.7423","0.0018","90","","95.06","0.006","90","","5134.6","0.5","180","0.1","180","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H19 N3 O5 -","- C76 H19 N3 O5 -","- C304 H76 N12 O20 -","4","1","","Xu, Liang; Liang, Sisi; Sun, Jiahao; Gan, Liangbing","Open-cage fullerene with a stopper acts as a molecular vial for a single water molecule","Organic Chemistry Frontiers","2015","2","11","1500","","10.1039/C5QO00265F","","","0.71073","MoKα","","0.1583","0.0965","","","0.198","0.2328","","","","","","0.944","","","","has coordinates","233676","2020-10-21","18:00:00",""
"1553185","17.987","0.003","18.451","0.004","19.171","0.004","90","","117.87","0.02","90","","5624","2","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H27 N5 O5 -","- C82 H27 N5 O5 -","- C328 H108 N20 O20 -","4","1","","Xu, Liang; Liang, Sisi; Sun, Jiahao; Gan, Liangbing","Open-cage fullerene with a stopper acts as a molecular vial for a single water molecule","Organic Chemistry Frontiers","2015","2","11","1500","","10.1039/C5QO00265F","","","0.71073","MoKα","","0.2279","0.087","","","0.1789","0.2221","","","","","","0.821","","","","has coordinates","233676","2020-10-21","18:00:00",""
"1553186","12.9202","0.0002","7.9412","0.0001","14.2105","0.0002","90","","91.2584","0.0011","90","","1457.67","0.04","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Br F3 O2 S -","- C16 H8 Br F3 O2 S -","- C64 H32 Br4 F12 O8 S4 -","4","1","","Zeng, Yao-Fu; Tan, Dong-Hang; Chen, Yunyun; Lv, Wen-Xin; Liu, Xu-Ge; Li, Qingjiang; Wang, Honggen","Direct radical trifluoromethylthiolation and thiocyanation of aryl alkynoate esters: mild and facile synthesis of 3-trifluoromethylthiolated and 3-thiocyanated coumarins","Organic Chemistry Frontiers","2015","2","11","1511","","10.1039/C5QO00271K","","x-ray","1.54184","CuKα","","0.0402","0.039","","","0.1079","0.1093","","","","","","1.099","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553187","8.4582","0.0005","11.1421","0.0005","18.5214","0.0012","90","","100.439","0.005","90","","1716.61","0.17","291.73","0.1","291.73","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Li, Yaxuan; Fu, Yajie; Ren, Chaojie; Tang, Dong; Wu, Ping; Meng, Xu; Chen, Baohua","Copper-catalyzed oxidative coupling reaction of α,β-unsaturated aldehydes with amidines: synthesis of 1,2,4-trisubstituted-1H-imidazole-5-carbaldehydes","Organic Chemistry Frontiers","2015","2","12","1632","","10.1039/C5QO00285K","","x-ray","0.71073","MoKα","","0.0863","0.0557","","","0.1205","0.1413","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553188","10.6439","0.0013","11.6245","0.0014","21.782","0.003","90","","100.416","0.002","90","","2650.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 F6 N2 O P2 Rh -","- C26 H23 F6 N2 O P2 Rh -","- C104 H92 F24 N8 O4 P8 Rh4 -","4","1","","Tang, Z.; Mandal, S.; Paul, N. D.; Lutz, M.; Li, P.; van der Vlugt, J. I.; de Bruin, B.","Rhodium catalysed conversion of carbenes into ketenes and ketene imines using PNN pincer complexes","Organic Chemistry Frontiers","2015","2","12","1561","","10.1039/C5QO00287G","","","0.71073","MoKα","","0.051","0.0382","","","0.0948","0.1062","","","","","","1.057","","","","has coordinates","233682","2020-10-21","18:00:00",""
"1553189","13.4021","0.0009","10.9937","0.0007","15.6906","0.001","90","","97.462","0.003","90","","2292.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 F6 N2 O P2 Rh -","- C20 H27 F6 N2 O P2 Rh -","- C80 H108 F24 N8 O4 P8 Rh4 -","4","1","","Tang, Z.; Mandal, S.; Paul, N. D.; Lutz, M.; Li, P.; van der Vlugt, J. I.; de Bruin, B.","Rhodium catalysed conversion of carbenes into ketenes and ketene imines using PNN pincer complexes","Organic Chemistry Frontiers","2015","2","12","1561","","10.1039/C5QO00287G","","","0.71073","MoKα","","0.0675","0.0381","","","0.0833","0.0988","","","","","","1.079","","","","has coordinates","233682","2020-10-21","18:00:00",""
"1553190","9.70447","0.00019","9.77001","0.00015","14.1603","0.0003","83.358","0.001","74.636","0.001","74.636","0.001","1246.84","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H25 F6 N2 O2 P2 Rh -","- C22 H25 F6 N2 O2 P2 Rh -","- C44 H50 F12 N4 O4 P4 Rh2 -","2","1","","Tang, Z.; Mandal, S.; Paul, N. D.; Lutz, M.; Li, P.; van der Vlugt, J. I.; de Bruin, B.","Rhodium catalysed conversion of carbenes into ketenes and ketene imines using PNN pincer complexes","Organic Chemistry Frontiers","2015","2","12","1561","","10.1039/C5QO00287G","","","0.71073","MoKα","","0.0243","0.0221","","","0.0567","0.0577","","","","","","1.057","","","","has coordinates,has disorder","233682","2020-10-21","18:00:00",""
"1553191","10.0366","0.0004","10.6641","0.0005","12.3895","0.0005","70.891","0.002","84.601","0.002","64.031","0.002","1124.59","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H25 Cl N2 O0.25 Ru S -","- C24 H25 Cl N2 O0.25 Ru S -","- C48 H50 Cl2 N4 O0.5 Ru2 S2 -","2","1","","Xie, Xiaoke; Huynh, Han Vinh","Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations","Organic Chemistry Frontiers","2015","2","12","1598","","10.1039/C5QO00292C","","","0.71073","MoKα","","0.0285","0.0251","","","0.0631","0.0649","","","","","","1.074","","","","has coordinates","233684","2020-10-21","18:00:00",""
"1553192","10.4555","0.0004","15.1572","0.0005","16.4668","0.0006","90","","94.422","0.002","90","","2601.83","0.16","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cl N2 Ru S -","- C30 H29 Cl N2 Ru S -","- C120 H116 Cl4 N8 Ru4 S4 -","4","1","","Xie, Xiaoke; Huynh, Han Vinh","Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations","Organic Chemistry Frontiers","2015","2","12","1598","","10.1039/C5QO00292C","","","0.71073","MoKα","","0.0415","0.0336","","","0.0868","0.0974","","","","","","1.088","","","","has coordinates","233684","2020-10-21","18:00:00",""
"1553193","10.5184","0.0005","10.8146","0.0005","11.5002","0.0005","87.04","0.001","64.781","0.001","69.987","0.001","1105.18","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Br N2 Ru S -","- C24 H25 Br N2 Ru S -","- C48 H50 Br2 N4 Ru2 S2 -","2","1","","Xie, Xiaoke; Huynh, Han Vinh","Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations","Organic Chemistry Frontiers","2015","2","12","1598","","10.1039/C5QO00292C","","","0.71073","MoKα","","0.0467","0.0291","","","0.0534","0.057","","","","","","1.074","","","","has coordinates,has disorder","233684","2020-10-21","18:00:00",""
"1553194","14.301","0.004","11.104","0.003","15.932","0.005","90","","108.464","0.006","90","","2399.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl N2 Ru S -","- C28 H27 Cl N2 Ru S -","- C112 H108 Cl4 N8 Ru4 S4 -","4","1","","Xie, Xiaoke; Huynh, Han Vinh","Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations","Organic Chemistry Frontiers","2015","2","12","1598","","10.1039/C5QO00292C","","","0.71073","MoKα","","0.029","0.0271","","","0.0641","0.0651","","","","","","1.064","","","","has coordinates","233684","2020-10-21","18:00:00",""
"1553696","27.6887","0.0013","27.6887","0.0013","27.6887","0.0013","90","","90","","90","","21227.9","1.7","173","2","173","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C42 H28 Cu2 N10 O8 -","- C42 H28 Cu2 N10 O8 -","- C252 H168 Cu12 N60 O48 -","6","0.25","","Tan, Jing; Zhou, Beibei; Liang, Congcong; Zinky, Hannah; Zhou, Hao-Long; Zhang, Yue-Biao","Secondary-amine-functionalized isoreticular metal‒organic frameworks for controllable and selective dye capture","Materials Chemistry Frontiers","2018","2","1","129","","10.1039/C7QM00414A","","","1.54178","CuKα","","0.0225","0.02","","","0.0517","0.0535","","","","","","1.071","","","","has coordinates,has disorder","235909","2020-10-21","18:00:00",""
"1553697","28.1049","0.001","28.1049","0.001","28.1049","0.001","90","","90","","90","","22199.7","1.4","173","2","173","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C42 H28 N10 O8 Zn2 -","- C42 H28 N10 O8 Zn2 -","- C252 H168 N60 O48 Zn12 -","6","0.25","","Tan, Jing; Zhou, Beibei; Liang, Congcong; Zinky, Hannah; Zhou, Hao-Long; Zhang, Yue-Biao","Secondary-amine-functionalized isoreticular metal‒organic frameworks for controllable and selective dye capture","Materials Chemistry Frontiers","2018","2","1","129","","10.1039/C7QM00414A","","","1.54178","CuKα","","0.0363","0.0322","","","0.081","0.0826","","","","","","1.084","","","","has coordinates,has disorder","235909","2020-10-21","18:00:00",""
"1553698","8.7512","0.0009","8.8377","0.001","11.1832","0.001","90.101","0.008","91.344","0.008","106.984","0.009","826.93","0.15","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C44 H32 N4 O2 -","2","1","","Zheng, Chao; Zang, Qiguang; Nie, Han; Huang, Weitao; Zhao, Zujin; Qin, Anjun; Hu, Rongrong; Tang, Ben Zhong","Fluorescence visualization of crystal formation and transformation processes of organic luminogens with crystallization-induced emission characteristics","Materials Chemistry Frontiers","2018","2","1","180","","10.1039/C7QM00435D","","","0.71073","MoKα","","0.0915","0.0485","","","0.1139","0.1439","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553699","10.8856","0.0012","5.8214","0.0006","26.159","0.003","90","","95.577","0.013","90","","1649.8","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Zheng, Chao; Zang, Qiguang; Nie, Han; Huang, Weitao; Zhao, Zujin; Qin, Anjun; Hu, Rongrong; Tang, Ben Zhong","Fluorescence visualization of crystal formation and transformation processes of organic luminogens with crystallization-induced emission characteristics","Materials Chemistry Frontiers","2018","2","1","180","","10.1039/C7QM00435D","","","0.71073","MoKα","","0.0968","0.0576","","","0.1377","0.1653","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553700","9.2692","0.0008","9.9355","0.001","10.8222","0.0009","79.332","0.008","65.483","0.008","69.001","0.009","845.8","0.15","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C44 H32 N4 O2 -","2","1","","Zheng, Chao; Zang, Qiguang; Nie, Han; Huang, Weitao; Zhao, Zujin; Qin, Anjun; Hu, Rongrong; Tang, Ben Zhong","Fluorescence visualization of crystal formation and transformation processes of organic luminogens with crystallization-induced emission characteristics","Materials Chemistry Frontiers","2018","2","1","180","","10.1039/C7QM00435D","","","0.71073","MoKα","","0.0808","0.0516","","","0.122","0.1468","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553701","7.622","0.003","14.074","0.005","18.644","0.007","108.82","0.004","99.259","0.005","95.596","0.003","1844.3","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H50 N2 O S4 -","- C39 H50 N2 O S4 -","- C78 H100 N4 O2 S8 -","2","1","","Hashikawa, Yoshifumi; Yasui, Hidefumi; Kurotobi, Kei; Murata, Yasujiro","Synthesis and properties of open-cage fullerene C60 derivatives: impact of the extended π-conjugation","Materials Chemistry Frontiers","2018","2","2","206","","10.1039/C7QM00449D","","","0.71073","MoKα","","0.0411","0.035","","","0.0926","0.1025","","","","","","1.099","","","","has coordinates,has disorder","235917","2020-10-21","18:00:00",""
"1553702","7.1876","0.0012","10.559","0.002","10.841","0.002","77.421","0.005","88.462","0.006","76.313","0.005","779.9","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H34 B20 -","- C26 H34 B20 -","- C26 H34 B20 -","1","0.5","","Mori, Hiroki; Nishino, Kenta; Wada, Keisuke; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Modulation of luminescence chromic behaviors and environment-responsive intensity changes by substituents in bis-o-carborane-substituted conjugated molecules","Materials Chemistry Frontiers","2018","2","3","573","","10.1039/C7QM00486A","","","0.71075","MoKα","","0.2093","0.1011","","","0.2201","0.2833","","","","","","1.005","","","","has coordinates","235920","2020-10-21","18:00:00",""
"1553703","8.3944","0.0011","14.3259","0.0018","11.7204","0.0014","90","","90.646","0.002","90","","1409.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O4 Si2 -","- C28 H34 O4 Si2 -","- C56 H68 O8 Si4 -","2","0.5","","Shimizu, Masaki; Kinoshita, Takumi; Shigitani, Ryosuke; Miyake, Yusuke; Tajima, Kunihiko","Use of silylmethoxy groups as inducers of efficient room temperature phosphorescence from precious-metal-free organic luminophores","Materials Chemistry Frontiers","2018","2","2","347","","10.1039/C7QM00524E","","","0.71073","MoKα","","0.0527","0.0438","","","0.1134","0.1173","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553704","11.7637","0.0012","12.6947","0.0014","13.4413","0.0014","90","","92.205","0.002","90","","2005.8","0.4","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 O4 Si2 -","- C48 H42 O4 Si2 -","- C96 H84 O8 Si4 -","2","0.5","","Shimizu, Masaki; Kinoshita, Takumi; Shigitani, Ryosuke; Miyake, Yusuke; Tajima, Kunihiko","Use of silylmethoxy groups as inducers of efficient room temperature phosphorescence from precious-metal-free organic luminophores","Materials Chemistry Frontiers","2018","2","2","347","","10.1039/C7QM00524E","","","0.71073","MoKα","","0.0476","0.0432","","","0.1165","0.1205","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553705","8.0255","0.0008","15.7261","0.0015","15.9887","0.0015","111.511","0.002","104.2","0.002","100.188","0.002","1738.5","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 O4 Si2 -","- C34 H46 O4 Si2 -","- C68 H92 O8 Si4 -","2","1","","Shimizu, Masaki; Kinoshita, Takumi; Shigitani, Ryosuke; Miyake, Yusuke; Tajima, Kunihiko","Use of silylmethoxy groups as inducers of efficient room temperature phosphorescence from precious-metal-free organic luminophores","Materials Chemistry Frontiers","2018","2","2","347","","10.1039/C7QM00524E","","","0.71073","MoKα","","0.0912","0.0765","","","0.2228","0.2361","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553706","10.295","0.003","15.211","0.004","15.71","0.004","97.505","0.003","103.952","0.003","98.491","0.002","2325.7","1.1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H48 Cl20 N4 O18 Ru4 -","- C76 H40 Cl20 N4 O18 Ru4 -","- C76 H40 Cl20 N4 O18 Ru4 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","Metamagnetism with TN = 97 K in a layered assembly of paddlewheel [Ru2] units and TCNQ: an empirical rule for interlayer distances determining the magnetic ground state","Materials Chemistry Frontiers","2018","2","3","497","","10.1039/C7QM00534B","","","0.71075","MoKα","","0.0612","0.0503","","","0.1445","0.1569","","","","","","1.076","","","","has coordinates","235923","2020-10-21","18:00:00",""
"1553707","13.2528","0.0003","16.273","0.0004","18.7976","0.0004","100.659","0.0008","93.188","0.0008","98.3918","0.0014","3927.09","0.16","213","","213","","","","","","","","","3","P -1","-P 1","2","","hexakis(4-carboxy-3,5-dimethylphenyl)triphenylene","","- C72 H60 O12 -","- C72 H60 O12 -","- C144 H120 O24 -","2","1","","Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu","Sterically crowded hydrogen-bonded hexagonal network frameworks","Materials Chemistry Frontiers","2018","2","2","338","","10.1039/C7QM00544J","","","0.8","synchrotron","","0.134","0.1263","","","0.4032","0.4165","","","","","","1.957","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553708","14.593","0.0005","15.3214","0.0005","20.375","0.0006","102.97","0.002","102.468","0.003","97.238","0.003","4261.2","0.3","213","","213","","","","","","","","","3","P -1","-P 1","2","","hexakis(4-carboxy-3,5-dimethylphenyl)triphenylene","","- C72 H60 O12 -","- C72 H60 O12 -","- C144 H120 O24 -","2","1","","Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu","Sterically crowded hydrogen-bonded hexagonal network frameworks","Materials Chemistry Frontiers","2018","2","2","338","","10.1039/C7QM00544J","","","1.54187","CuKα","","0.1668","0.1052","","","0.3034","0.3608","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553709","12.2591","0.0003","38.9347","0.0008","18.0305","0.0004","90","","93.869","0.002","90","","8586.4","0.3","213","","213","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","hexakis(4-carboxy-3,5-difluorophenyl)triphenylene","","- C60 H24 F12 O12 -","- C60 H24 F12 O12 -","- C240 H96 F48 O48 -","4","0.5","","Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu","Sterically crowded hydrogen-bonded hexagonal network frameworks","Materials Chemistry Frontiers","2018","2","2","338","","10.1039/C7QM00544J","","","1.54187","CuKα","","0.1257","0.1061","","","0.3522","0.3784","","","","","","1.481","","","","has coordinates,has disorder","235926","2020-10-21","18:00:00",""
"1553710","27.8455","0.0003","22.4501","0.0002","29.8331","0.0003","90","","95.3352","0.0009","90","","18568.9","0.3","213","","213","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","hexakis(4-carboxy-3,5-dimethylphenyl)triphenylene, methyl benzoate solvate","","- C80 H68 O14 -","- C80 H67.9999 O13.9998 -","- C640 H543.999 O111.998 -","8","1","","Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu","Sterically crowded hydrogen-bonded hexagonal network frameworks","Materials Chemistry Frontiers","2018","2","2","338","","10.1039/C7QM00544J","","","1.54187","CuKα","","0.0975","0.0883","","","0.2811","0.2926","","","","","","1.05","","","","has coordinates,has disorder","235926","2020-10-21","18:00:00",""
"1553711","14.2255","0.0016","29.98","0.004","22.944","0.003","90","","92.5721","0.0018","90","","9775","2","143","","143","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C63 H55 N6 -","- C63 H52 N6 -","- C504 H416 N48 -","8","2","","Sakamaki, Daisuke; Saeki, Hidenori; Seki, Shu","Synthesis and properties of a twin donor molecule composed of cofacially stacked dihydrodiazapentacenes","Materials Chemistry Frontiers","2018","2","3","530","","10.1039/C7QM00563F","","","0.71075","MoKα","","0.2031","0.1153","","","0.2622","0.3164","","","","","","1.072","","","","has coordinates","235929","2020-10-21","18:00:00",""
"1553712","15.927","0.003","13.626","0.002","25.437","0.004","90","","106.335","0.002","90","","5297.5","1.5","143","","143","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H58 F6 N6 O Sb -","- C63 H51 F6 N6 O Sb -","- C252 H204 F24 N24 O4 Sb4 -","4","1","","Sakamaki, Daisuke; Saeki, Hidenori; Seki, Shu","Synthesis and properties of a twin donor molecule composed of cofacially stacked dihydrodiazapentacenes","Materials Chemistry Frontiers","2018","2","3","530","","10.1039/C7QM00563F","","","0.71075","MoKα","","0.0761","0.0603","","","0.1458","0.1568","","","","","","1.074","","","","has coordinates","235929","2020-10-21","18:00:00",""
"1553713","8.9246","0.0013","26.061","0.004","15.999","0.002","90","","103.344","0.003","90","","3620.6","0.9","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4'-Iodo-1,1'-biphenyl-4-yl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl","","- C19 H20 I N2 O2 -","- C19 H20 I N2 O2 -","- C152 H160 I8 N16 O16 -","8","2","","Suzuki, Shuichi; Nakamura, Fumiya; Naota, Takeshi","A direct synthetic method for (nitronyl nitroxide)-substituted π-electronic compounds via a palladium-catalyzed cross-coupling reaction with a zinc complex","Materials Chemistry Frontiers","2018","2","3","591","","10.1039/C7QM00565B","","","0.71075","MoKα","","0.1256","0.0748","","","0.1833","0.2065","","","","","","0.922","","","","has coordinates","235931","2020-10-21","18:00:00",""
"1553714","8.9325","0.0009","9.7653","0.0011","13.1883","0.0016","81.1923","0.001","77.908","0.001","74.017","0.008","1075.8","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","2-(10-Phenyl-10H-phenothiazine-3-yl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl","","- C25 H24 N3 O2 S -","- C25 H24 N3 O2 S -","- C50 H48 N6 O4 S2 -","2","1","","Suzuki, Shuichi; Nakamura, Fumiya; Naota, Takeshi","A direct synthetic method for (nitronyl nitroxide)-substituted π-electronic compounds via a palladium-catalyzed cross-coupling reaction with a zinc complex","Materials Chemistry Frontiers","2018","2","3","591","","10.1039/C7QM00565B","","","0.71075","MoKα","","0.0724","0.0615","","","0.1651","0.1706","","","","","","1.024","","","","has coordinates","235931","2020-10-21","18:00:00",""
"1553715","33.29","0.04","7.227","0.007","13.232","0.014","90","","105.227","0.018","90","","3072","6","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cl O6 S12 -","- C24 H16 Cl O6 S12 -","- C96 H64 Cl4 O24 S48 -","4","0.5","","Ueda, Akira; Mori, Hatsumi","A phenol-fused tetrathiafulvalene: modulation of hydrogen-bond patterns and electrical conductivity in the charge-transfer salt","Materials Chemistry Frontiers","2018","2","3","566","","10.1039/C7QM00574A","","","0.71073","MoKα","","0.1869","0.0754","","","0.1778","0.2367","","","","","","1.134","","","","has coordinates","235933","2020-10-21","18:00:00",""
"1553716","12.369","0.005","11.196","0.004","10.011","0.004","90","","92.537","0.005","90","","1385","0.9","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O S6 -","- C12 H8 O S6 -","- C48 H32 O4 S24 -","4","1","","Ueda, Akira; Mori, Hatsumi","A phenol-fused tetrathiafulvalene: modulation of hydrogen-bond patterns and electrical conductivity in the charge-transfer salt","Materials Chemistry Frontiers","2018","2","3","566","","10.1039/C7QM00574A","","","0.71073","MoKα","","0.1661","0.0819","","","0.1724","0.2098","","","","","","1.01","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553717","14.367","0.004","14.367","0.004","7.992","0.003","90","","90","","90","","1649.6","0.9","213","2","213","2","","","","","","","","2","P -4 c 2","P -4 -2c","116","CBF","9,9'-bifluorenylidene cyclic dimer","","- C13 H7 -","- C13 H7 -","- C104 H56 -","8","1","","Xu, Jinjia; Takai, Atsuro; Bannaron, Alisa; Nakagawa, Takafumi; Matsuo, Yutaka; Sugimoto, Manabu; Matsushita, Yoshitaka; Takeuchi, Masayuki","A helically-twisted ladder based on 9,9′-bifluorenylidene: synthesis, characterization, and carrier-transport properties","Materials Chemistry Frontiers","2018","2","4","780","","10.1039/C7QM00583K","","","0.71073","MoKα","","0.0488","0.0469","","","0.1059","0.1067","","","","","","1.299","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553718","18.181","0.002","12.65","0.0016","19.801","0.002","90","","96.169","0.003","90","","4527.7","0.9","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","CBF_with_o-dichlorobenzene","","- C64 H36 Cl4 -","- C64 H36 Cl4 -","- C256 H144 Cl16 -","4","1","","Xu, Jinjia; Takai, Atsuro; Bannaron, Alisa; Nakagawa, Takafumi; Matsuo, Yutaka; Sugimoto, Manabu; Matsushita, Yoshitaka; Takeuchi, Masayuki","A helically-twisted ladder based on 9,9′-bifluorenylidene: synthesis, characterization, and carrier-transport properties","Materials Chemistry Frontiers","2018","2","4","780","","10.1039/C7QM00583K","","","0.71073","MoKα","","0.064","0.0382","","","0.0938","0.1363","","","","","","1.113","","","","has coordinates","235935","2020-10-21","18:00:00",""
"1553719","9.768","0.0007","11.2196","0.0008","25.3543","0.0018","88.261","0.001","82.947","0.001","86.248","0.001","2751","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H62 Cl2 Ge O12 S4 -","- C61 H62 Cl2 Ge O12 S4 -","- C122 H124 Cl4 Ge2 O24 S8 -","2","1","","Furukawa, Shunsuke; Hayashi, Keisuke; Yamagishi, Ken; Saito, Masaichi","Synthesis and properties of spiro-type heterasumanenes containing group 14 elements as bridging atoms","Materials Chemistry Frontiers","2018","2","5","929","","10.1039/C7QM00590C","","","0.71073","MoKα","","0.0438","0.0352","","","0.0848","0.0888","","","","","","1.032","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553720","9.7198","0.0013","13.551","0.0018","21.616","0.003","104.724","0.002","100.877","0.001","95.266","0.002","2674.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 O12 S4 Si -","- C60 H60 O12 S4 Si -","- C120 H120 O24 S8 Si2 -","2","1","","Furukawa, Shunsuke; Hayashi, Keisuke; Yamagishi, Ken; Saito, Masaichi","Synthesis and properties of spiro-type heterasumanenes containing group 14 elements as bridging atoms","Materials Chemistry Frontiers","2018","2","5","929","","10.1039/C7QM00590C","","","0.71073","MoKα","","0.0481","0.0395","","","0.1044","0.1104","","","","","","1.023","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553721","9.2728","0.0007","21.8232","0.0016","27.505","0.002","90","","97.123","0.001","90","","5523","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H62 Cl2 O12 S4 Sn -","- C61 H62 Cl2 O12 S4 Sn -","- C244 H248 Cl8 O48 S16 Sn4 -","4","1","","Furukawa, Shunsuke; Hayashi, Keisuke; Yamagishi, Ken; Saito, Masaichi","Synthesis and properties of spiro-type heterasumanenes containing group 14 elements as bridging atoms","Materials Chemistry Frontiers","2018","2","5","929","","10.1039/C7QM00590C","","","0.71073","MoKα","","0.0435","0.0295","","","0.0664","0.0723","","","","","","1.016","","","","has coordinates","235937","2020-10-21","18:00:00",""
"1553722","5.0788","0.0003","10.061","0.0007","12.9069","0.0008","76.261","0.005","80.914","0.005","81.176","0.005","627.97","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C28 H30 N2 O8 -","2","1","","Cui, Rong Rong; Lv, Yuan Chao; Zhao, Yong Sheng; Zhao, Na; Li, Nan","Solid-state fluorescent materials based on coumarin derivatives: polymorphism, stimuli-responsive emission, self-assembly and optical waveguides","Materials Chemistry Frontiers","2018","2","5","910","","10.1039/C7QM00617A","","","1.54178","CuKα","","0.0773","0.0539","","","0.1611","0.1811","","","","","","1.074","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553723","9.1235","0.0002","60.8969","0.0013","8.8517","0.0002","90","","93.03","0.001","90","","4911.07","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 O10 -","- C60 H56 O10 -","- C240 H224 O40 -","4","1","","Nabeya, Kota; Muraoka, Takahiro; Hoshino, Norihisa; Aizawa, Miho; Kajitani, Takashi; Akutagawa, Tomoyuki; Shishido, Atsushi; Fukushima, Takanori; Kinbara, Kazushi","Thermal and optical properties of multiblock macrocycles with hysteretic polymorphic transition","Materials Chemistry Frontiers","2018","2","5","969","","10.1039/C7QM00621G","","","1.54187","CuKα","","0.0578","0.0507","","","0.1265","0.1325","","","","","","1.035","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553989","11.3282","0.0002","14.2177","0.0003","14.6725","0.0003","90","","98.096","0.002","90","","2339.61","0.08","149.95","0.1","149.95","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 B2 Co F8 N6 O2 -","- C20 H20 B2 Co F8 N6 O2 -","- C80 H80 B8 Co4 F32 N24 O8 -","4","1","","Queyriaux, N.; Giannoudis, E.; Windle, C. D.; Roy, S.; Pécaut, J.; Coutsolelos, A. G.; Artero, V.; Chavarot-Kerlidou, M.","A noble metal-free photocatalytic system based on a novel cobalt tetrapyridyl catalyst for hydrogen production in fully aqueous medium","Sustainable Energy & Fuels","2018","2","3","553","","10.1039/C7SE00428A","","x-ray","0.71073","MoKα","","0.0547","0.0384","","","0.0781","0.0846","","","","","","1.033","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1553990","17.9676","0.0003","25.7114","0.0006","27.222","0.0005","90","","90","","90","","12575.8","0.4","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","C48H40P2Mo3S7Br6","","- C48 H40 Br6 Mo3 P2 S7 -","- C48 H40 Br6 Mo3 P2 S7 -","- C384 H320 Br48 Mo24 P16 S56 -","8","1","","Dave, M.; Rajagopal, A.; Damm-Ruttensperger, M.; Schwarz, B.; Nägele, F.; Daccache, L.; Fantauzzi, D.; Jacob, T.; Streb, C.","Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts","Sustainable Energy & Fuels","2018","2","5","1020","","10.1039/C7SE00599G","","x-ray","0.71073","MoKα","","0.0668","0.0451","","","0.1182","0.1266","","","","","","1.135","","","","has coordinates","236270","2020-10-21","18:00:00",""
"1553991","18.3547","0.0003","18.62","0.0003","29.2421","0.0005","90","","90","","90","","9993.9","0.3","150.05","0.1","150.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","C32H72Cl6Mo3S7N2","","- C32 H72 Cl6 Mo3 N2 S7 -","- C32 H72 Cl6 Mo3 N2 S7 -","- C256 H576 Cl48 Mo24 N16 S56 -","8","1","","Dave, M.; Rajagopal, A.; Damm-Ruttensperger, M.; Schwarz, B.; Nägele, F.; Daccache, L.; Fantauzzi, D.; Jacob, T.; Streb, C.","Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts","Sustainable Energy & Fuels","2018","2","5","1020","","10.1039/C7SE00599G","","x-ray","0.71073","MoKα","","0.0881","0.0641","","","0.1665","0.1858","","","","","","1.067","","","","has coordinates","236270","2020-10-21","18:00:00",""
"1554194","12.8613","0.0001","18.9007","0.0002","20.5254","0.0002","90","","102.991","0.001","90","","4861.77","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Cu3 N O15 P2 -","- C31 H26 Cu3 N O15 P2 -","- C124 H104 Cu12 N4 O60 P8 -","4","1","","Li, Lan; Yin, Qi; Li, Hong-Fang; Liu, Tian-Fu; Cao, Rong","Rational design of phosphonocarboxylate metal‒organic frameworks for light hydrocarbon separations","Materials Chemistry Frontiers","2018","2","8","1436","","10.1039/C8QM00029H","","","1.54184","CuKα","","0.0506","0.0457","","","0.1203","0.1227","","","","","","1.018","","","","has coordinates","237009","2020-10-21","18:00:00",""
"1554195","11.302","0.0002","13.5426","0.0002","15.7763","0.0002","90","","90","","90","","2414.7","0.06","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C28 H16 Mg3 N0 O16 P2 -","- C28 H16 Mg3 O16 P2 -","- C56 H32 Mg6 O32 P4 -","2","0.25","","Li, Lan; Yin, Qi; Li, Hong-Fang; Liu, Tian-Fu; Cao, Rong","Rational design of phosphonocarboxylate metal‒organic frameworks for light hydrocarbon separations","Materials Chemistry Frontiers","2018","2","8","1436","","10.1039/C8QM00029H","","","1.54184","CuKα","","0.0827","0.0765","","","0.2051","0.2102","","","","","","1.097","","","","has coordinates","237009","2020-10-21","18:00:00",""
"1554196","13.3247","0.0007","16.6349","0.0009","19.0232","0.0008","93.227","0.003","97.302","0.003","103.143","0.003","4057","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H52 N2 O4 -","- C52 H51 N2 O4 -","- C208 H204 N8 O16 -","4","2","","Xin, Hanshen; Li, Jing; Ge, Congwu; Yang, Xiaodi; Xue, Tianrui; Gao, Xike","6,6′-Diaryl-substituted biazulene diimides for solution-processable high-performance n-type organic semiconductors","Materials Chemistry Frontiers","2018","2","5","975","","10.1039/C8QM00047F","","","1.54178","CuKα","","0.1758","0.0976","","","0.2346","0.2647","","","","","","1.347","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554197","22.853","0.003","23.83","0.003","18.909","0.002","90","","90","","90","","10298","2","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","Ir(tfmpqz)2(tpip)","Bis(4-(3,5-bis(trifluoromethyl)phenyl)quinazoline)(tetraphenylimidodiphosphinate)iridium(III)","","- C56 H34 F12 Ir N5 O2 P2 -","- C56 H34 F12 Ir N5 O2 P2 -","- C448 H272 F96 Ir8 N40 O16 P16 -","8","1","","Han, Hua-Bo; Ma, Xiao-Feng; Wu, Zheng-Guang; Zheng, You-Xuan","Highly efficient yellow electroluminescence of iridium complexes with good electron mobility","Materials Chemistry Frontiers","2018","2","7","1284","","10.1039/C8QM00060C","","","0.71073","MoKα","","0.1017","0.0389","","","0.0665","0.0837","","","","","","0.989","","","","has coordinates","237012","2020-10-21","18:00:00",""
"1554198","10.5053","0.0014","11.0003","0.0018","14.675","0.002","79.575","0.005","87.376","0.004","86.965","0.005","1664.4","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","Gold-complex","","- C30 H24 Au2 F10 N2 O5 -","- C30 H23 Au2 F10 N2 O5 -","- C60 H46 Au4 F20 N4 O10 -","2","1","","Seki, Tomohiro; Ida, Kentaro; Ito, Hajime","A meta-diisocyanide benzene-based aryl gold isocyanide complex exhibiting multiple solid-state molecular arrangements and luminescent mechanochromism","Materials Chemistry Frontiers","2018","2","6","1195","","10.1039/C8QM00074C","","","0.71075","MoKα","","0.1349","0.0757","","","0.1695","0.2389","","","","","","1.039","","","","has coordinates,has disorder","237015","2020-10-21","18:00:00",""
"1554199","10.528","0.0009","11.5191","0.0011","11.8538","0.0011","70.006","0.002","70.754","0.002","67.223","0.003","1212.85","0.19","123","","123","","","","","","","","","6","P -1","-P 1","2","","1c","","- C24 H12 Au2 F10 N2 O -","- C24 H12 Au2 F10 N2 O -","- C48 H24 Au4 F20 N4 O2 -","2","1","","Seki, Tomohiro; Ida, Kentaro; Ito, Hajime","A meta-diisocyanide benzene-based aryl gold isocyanide complex exhibiting multiple solid-state molecular arrangements and luminescent mechanochromism","Materials Chemistry Frontiers","2018","2","6","1195","","10.1039/C8QM00074C","","","0.71075","MoKα","","0.1062","0.0689","","","0.1783","0.2219","","","","","","0.979","","","","has coordinates","237015","2020-10-21","18:00:00",""
"1554200","8.4401","0.0007","17.347","0.0013","19.5954","0.0015","90","","98.181","0.002","90","","2839.8","0.4","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Gold-complex","","- C28 H20 Au2 F10 N2 O2 -","- C28 H20 Au2 F10 N2 O2 -","- C112 H80 Au8 F40 N8 O8 -","4","1","","Seki, Tomohiro; Ida, Kentaro; Ito, Hajime","A meta-diisocyanide benzene-based aryl gold isocyanide complex exhibiting multiple solid-state molecular arrangements and luminescent mechanochromism","Materials Chemistry Frontiers","2018","2","6","1195","","10.1039/C8QM00074C","","","0.71075","MoKα","","0.0789","0.0623","","","0.142","0.1544","","","","","","0.99","","","","has coordinates,has disorder","237015","2020-10-21","18:00:00",""
"1554201","6.6509","0.0006","7.914","0.0006","12.3019","0.0011","90.852","0.006","104.072","0.007","112.181","0.007","577.49","0.09","102.3","","102.3","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H20 N4 -","- C32 H20 N4 -","- C32 H20 N4 -","1","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.7107","MoKα","","0.0537","0.0419","","","0.0881","0.0951","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554202","11.1457","0.0011","11.6511","0.0012","13.2828","0.0014","82.622","0.003","83.818","0.003","80.79","0.003","1681.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N2 O8 -","- C38 H30 N2 O8 -","- C76 H60 N4 O16 -","2","1","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.1357","0.0732","","","0.1979","0.2422","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554203","12.3284","0.0006","6.1277","0.0003","20.3379","0.0011","90","","105.907","0.005","90","","1477.59","0.13","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C68 H52 N4 O8 -","2","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.0722","0.0565","","","0.1568","0.172","","","","","","1.074","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554204","12.144","0.008","8.484","0.006","17.017","0.011","90","","100.58","0.02","90","","1723","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 N2 -","- C42 H46 N2 -","- C84 H92 N4 -","2","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.093","0.053","","","0.1432","0.1737","","","","","","0.964","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554205","6.0244","0.0007","9.5199","0.0011","10.6867","0.0014","97.209","0.01","98.46","0.01","102.006","0.01","585.2","0.13","102.4","","102.4","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H20 N4 -","- C32 H20 N4 -","- C32 H20 N4 -","1","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.7107","MoKα","","0.0692","0.0486","","","0.0988","0.1101","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554206","6.0988","0.0012","11.519","0.002","11.831","0.002","116.842","0.005","104.607","0.006","91.839","0.006","707.3","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 N2 -","- C36 H34 N2 -","- C36 H34 N2 -","1","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.096","0.0572","","","0.1401","0.1672","","","","","","0.958","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554207","9.068","0.004","12.768","0.005","15.473","0.006","75.908","0.007","78.601","0.008","75.752","0.007","1665.9","1.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N2 O4 -","- C40 H38 N2 O4 -","- C80 H76 N4 O8 -","2","1","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.1789","0.0889","","","0.216","0.2919","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554208","5.6456","0.0011","12.856","0.003","22.586","0.005","90","","96.79","0.03","90","","1627.8","0.6","153.15","","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 N2 O4 -","- C40 H38 N2 O4 -","- C80 H76 N4 O8 -","2","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.1345","0.1004","","","0.1438","0.1586","","","","","","1.174","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554209","11.72","0.002","6.2246","0.0012","23.409","0.005","90","","99.65","0.03","90","","1683.6","0.6","153.15","","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 N8 O2 -","- C40 H32 N8 O2 -","- C80 H64 N16 O4 -","2","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.0794","0.066","","","0.1507","0.1715","","","","","","1.272","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554210","18.5961","0.0002","18.5961","0.0002","38.21","0.0007","90","","90","","120","","11443.3","0.3","100","0.1","100","0.1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C5.5 H2.5 Cu0.5 N0.25 O3 -","- C5.5 H2.5 Cu0.5 N0.25 O3 -","- C198 H90 Cu18 N9 O108 -","36","1","","Liu, Xiuping; Fan, Weidong; Zhang, Minghui; Li, Guixia; Liu, Haijun; Sun, Daofeng; Zhao, Lianming; Zhu, Houyu; Guo, Wenyue","Enhancing light hydrocarbon storage and separation through introducing Lewis basic nitrogen sites within a carboxylate-decorated copper‒organic framework","Materials Chemistry Frontiers","2018","2","6","1146","","10.1039/C8QM00105G","","","1.54178","CuKα","","0.0705","0.0642","","","0.2013","0.2083","","","","","","1.055","","","","has coordinates","237019","2020-10-21","18:00:00",""
"1554211","10.0725","0.0014","10.8786","0.0015","12.9332","0.0018","113.11","0.002","105.578","0.002","90.301","0.002","1245.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","(benzo[ghi]perylene)3TCNQ","","","- C78 H40 N4 -","- C78 H40 N4 -","- C78 H40 N4 -","1","0.5","","Yoshida, Yukihiro; Tango, Shunsuke; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Koretsune, Takashi; Sakata, Masafumi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene","Materials Chemistry Frontiers","2018","2","6","1165","","10.1039/C8QM00112J","","","0.71073","MoKα","","0.0914","0.049","","","0.1053","0.1189","","","","","","1.003","","","","has coordinates,has disorder","237021","2020-10-21","18:00:00",""
"1554212","9.7377","0.0008","11.9539","0.001","11.3813","0.001","90","","97.968","0.001","90","","1312.03","0.19","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","benzo[ghi]perylene","","","- C22 H12 -","- C22 H12 -","- C88 H48 -","4","1","","Yoshida, Yukihiro; Tango, Shunsuke; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Koretsune, Takashi; Sakata, Masafumi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene","Materials Chemistry Frontiers","2018","2","6","1165","","10.1039/C8QM00112J","","","0.71073","MoKα","","0.0453","0.0401","","","0.1205","0.1267","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554213","7.1246","0.0008","12.3495","0.0014","21.257","0.003","78.598","0.002","80.637","0.002","80.207","0.002","1790.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","(benzo[ghi]perylene)2TCNQ","","","- C56 H28 N4 -","- C56 H28 N4 -","- C112 H56 N8 -","2","1","","Yoshida, Yukihiro; Tango, Shunsuke; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Koretsune, Takashi; Sakata, Masafumi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene","Materials Chemistry Frontiers","2018","2","6","1165","","10.1039/C8QM00112J","","","0.71073","MoKα","","0.1563","0.0783","","","0.1543","0.1755","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554214","7.1719","0.0004","10.8284","0.0005","29.7864","0.0015","90","","90","","90","","2313.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(benzo[ghi]perylene)TCNQ","","","- C34 H16 N4 -","- C34 H16 N4 -","- C136 H64 N16 -","4","1","","Yoshida, Yukihiro; Tango, Shunsuke; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Koretsune, Takashi; Sakata, Masafumi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene","Materials Chemistry Frontiers","2018","2","6","1165","","10.1039/C8QM00112J","","","0.71073","MoKα","","0.0522","0.0386","","","0.076","0.0799","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554215","9.8455","0.0009","11.0998","0.001","12.8243","0.0011","86.101","0.001","67.763","0.001","89.093","0.001","1294.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(benzo[ghi]perylene)3Mo6O19","","","- C66 H36 Mo6 O19 -","- C66 H36 Mo6 O19 -","- C66 H36 Mo6 O19 -","1","0.5","","Yoshida, Yukihiro; Tango, Shunsuke; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Koretsune, Takashi; Sakata, Masafumi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene","Materials Chemistry Frontiers","2018","2","6","1165","","10.1039/C8QM00112J","","","0.71073","MoKα","","0.0266","0.0204","","","0.0488","0.0515","","","","","","1.026","","","","has coordinates,has disorder","237028","2020-10-21","18:00:00",""
"1554216","31.8272","0.0003","31.8272","0.0003","27.8945","0.0008","90","","90","","90","","28256.3","0.9","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C39 H25 Cu1.5 N2.5 O6 -","- C39 H25.5 Cu1.5 N2.5 O6 -","- C624 H408 Cu24 N40 O96 -","16","1","","Chen, Dong-Hui; Zhuo, Chao; Wen, Yue-Hong; Lin, Ling; Zhang, Yu-Xiao; Hu, Sheng-Min; Fu, Rui-Biao; Wu, Xin-Tao","Porous metal‒organic frameworks based on 3,6-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole for HPLC separation of small organic molecules","Materials Chemistry Frontiers","2018","2","8","1508","","10.1039/C8QM00147B","","","1.54178","CuKα","","0.1159","0.0985","","","0.326","0.3548","","","","","","1.098","","","","has coordinates,has disorder","237030","2020-10-21","18:00:00",""
"1554217","7.9035","0.0002","17.3632","0.0005","30.8922","0.001","90","","93.818","0.001","90","","4229.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6a","6a","","- C48 H58 N2 O6 S2 -","- C48 H58 N2 O6 S2 -","- C192 H232 N8 O24 S8 -","4","1","","Geng, Ruili; Hou, Xueqing; Sun, Yantao; Yan, Chaoxian; Wu, Yuewei; Zhang, Hao-Li; Shao, Xiangfeng","Driving π-plane to π-bowl through lateral coordination at room temperature","Materials Chemistry Frontiers","2018","2","8","1456","","10.1039/C8QM00168E","","","1.54178","CuKα","","0.0361","0.0351","","","0.0878","0.0885","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554218","15.4628","0.0006","32.3858","0.0013","9.181","0.0004","90","","93.89","0.002","90","","4587","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","6b[ZnCl2]","6b[ZnCl2]","","- C48 H58 Cl2 N2 O6 Se2 Zn -","- C48 H58 Cl2 N2 O6 Se2 Zn -","- C192 H232 Cl8 N8 O24 Se8 Zn4 -","4","1","","Geng, Ruili; Hou, Xueqing; Sun, Yantao; Yan, Chaoxian; Wu, Yuewei; Zhang, Hao-Li; Shao, Xiangfeng","Driving π-plane to π-bowl through lateral coordination at room temperature","Materials Chemistry Frontiers","2018","2","8","1456","","10.1039/C8QM00168E","","","1.54178","CuKα","","0.1255","0.0904","","","0.2253","0.2497","","","","","","1.048","","","","has coordinates,has disorder","237032","2020-10-21","18:00:00",""
"1554219","15.7813","0.0007","32.2684","0.0015","9.0074","0.0005","90","","97.563","0.002","90","","4547","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","6a[ZnCl2]","6a[ZnCl2]","","- C48 H58 Cl2 N2 O6 S2 Zn -","- C48 H58 Cl2 N2 O6 S2 Zn -","- C192 H232 Cl8 N8 O24 S8 Zn4 -","4","1","","Geng, Ruili; Hou, Xueqing; Sun, Yantao; Yan, Chaoxian; Wu, Yuewei; Zhang, Hao-Li; Shao, Xiangfeng","Driving π-plane to π-bowl through lateral coordination at room temperature","Materials Chemistry Frontiers","2018","2","8","1456","","10.1039/C8QM00168E","","","1.54178","CuKα","","0.0656","0.0495","","","0.1268","0.1434","","","","","","1.065","","","","has coordinates","237032","2020-10-21","18:00:00",""
"1554220","7.897","0.0003","17.4785","0.0006","31.1201","0.001","90","","92.646","0.001","90","","4290.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6b","6b","","- C48 H58 N2 O6 Se2 -","- C48 H58 N2 O6 Se2 -","- C192 H232 N8 O24 Se8 -","4","1","","Geng, Ruili; Hou, Xueqing; Sun, Yantao; Yan, Chaoxian; Wu, Yuewei; Zhang, Hao-Li; Shao, Xiangfeng","Driving π-plane to π-bowl through lateral coordination at room temperature","Materials Chemistry Frontiers","2018","2","8","1456","","10.1039/C8QM00168E","","","1.54178","CuKα","","0.0368","0.0348","","","0.0891","0.0906","","","","","","1.089","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554221","15.8769","0.0002","17.4704","0.0002","16.902","0.0002","90","","101.409","0.001","90","","4595.57","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 F12 N4 -","- C22 H12 F12 N4 -","- C176 H96 F96 N32 -","8","2","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Controlling the canonical/zwitterionic balance through intramolecular proton transfer: a strategy for vapochromism","Materials Chemistry Frontiers","2018","2","9","1618","","10.1039/C8QM00171E","","x-ray","1.54184","CuKα","","0.0882","0.0815","","","0.2315","0.2431","","","","","","1.051","","","","has coordinates,has disorder","237035","2020-10-21","18:00:00",""
"1554222","9.0537","0.0002","17.8869","0.0004","22.6505","0.0004","90","","92.648","0.002","90","","3664.16","0.13","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 F2 N8 O8 -","- C34 H42 F2 N8 O8 -","- C136 H168 F8 N32 O32 -","4","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Controlling the canonical/zwitterionic balance through intramolecular proton transfer: a strategy for vapochromism","Materials Chemistry Frontiers","2018","2","9","1618","","10.1039/C8QM00171E","","x-ray","1.54184","CuKα","","0.093","0.0727","","","0.2032","0.2245","","","","","","1.029","","","","has coordinates,has disorder","237035","2020-10-21","18:00:00",""
"1554223","11.941","0.002","6.1614","0.0012","14.5","0.003","90","","109.93","0.03","90","","1002.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","thianthrene","","- C12 H8 S2 -","- C12 H8 S2 -","- C48 H32 S8 -","4","1","","Liu, Haichao; Gao, Yu; Cao, Jungang; Li, Tingxuan; Wen, Yating; Ge, Yunpeng; Zhang, Lili; Pan, Guocui; Zhou, Tong; Yang, Bing","Efficient room-temperature phosphorescence based on a pure organic sulfur-containing heterocycle: folding-induced spin–orbit coupling enhancement","Materials Chemistry Frontiers","2018","2","10","1853","","10.1039/C8QM00320C","","","0.71073","MoKα","","0.0391","0.0343","","","0.0904","0.0931","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554224","23.376","0.005","6.0798","0.0012","14.364","0.003","90","","99.514","0.005","90","","2013.4","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2'-bithianthrene","","- C24 H14 S4 -","- C24 H14 S4 -","- C96 H56 S16 -","4","1","","Liu, Haichao; Gao, Yu; Cao, Jungang; Li, Tingxuan; Wen, Yating; Ge, Yunpeng; Zhang, Lili; Pan, Guocui; Zhou, Tong; Yang, Bing","Efficient room-temperature phosphorescence based on a pure organic sulfur-containing heterocycle: folding-induced spin–orbit coupling enhancement","Materials Chemistry Frontiers","2018","2","10","1853","","10.1039/C8QM00320C","","","0.71073","MoKα","","0.0923","0.0436","","","0.0917","0.1233","","","","","","1.018","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554225","10.151","0.002","10.193","0.002","21.148","0.004","97.15","0.03","97.6","0.03","111.09","0.03","1988.3","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-bithianthrene","","- C24 H14 S4 -","- C24 H14 S4 -","- C96 H56 S16 -","4","2","","Liu, Haichao; Gao, Yu; Cao, Jungang; Li, Tingxuan; Wen, Yating; Ge, Yunpeng; Zhang, Lili; Pan, Guocui; Zhou, Tong; Yang, Bing","Efficient room-temperature phosphorescence based on a pure organic sulfur-containing heterocycle: folding-induced spin–orbit coupling enhancement","Materials Chemistry Frontiers","2018","2","10","1853","","10.1039/C8QM00320C","","","0.71073","MoKα","","0.1066","0.0714","","","0.1902","0.2052","","","","","","1.086","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554226","11.8232","0.0008","14.4169","0.0009","14.7764","0.0009","90","","104.264","0.007","90","","2441","0.3","175","70","175","70","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,6-dihydroxy-4-(indolin-1-yl)phenyl)-4-(diphenylamino)cyclobuta-1,3-diene-1,3-bis(olate)","","- C30.5 H23 Cl N2 O4 -","- C30.5 H22 Cl N2 O4 -","- C122 H88 Cl4 N8 O16 -","4","1","","Yang, Lin; Yang, Daobin; Chen, Yao; Wu, Jianglin; Lu, Zhiyun; Sasabe, Hisahiro; Kido, Junji; Sano, Takeshi; Huang, Yan","Effects of different types of unsymmetrical squaraines on the material properties and Coulomb interactions in organic photovoltaic devices","Materials Chemistry Frontiers","2018","2","11","2116","","10.1039/C8QM00327K","","x-ray","0.71073","MoKα","","0.0798","0.0637","","","0.1582","0.1758","","","","","","1.09","","","","has coordinates","237039","2020-10-21","18:00:00",""
"1554227","10.8776","0.0008","12.2628","0.0008","15.8498","0.0008","103.335","0.005","105.575","0.006","108.689","0.006","1809.3","0.2","143","0.1","143","0.1","","","","","","","","4","P -1","-P 1","2","","2-(2,6-dihydroxy-4-(1,2,3,3a-tetrahydrocyclopenta[b]indol-4(8bH)-yl)phenyl)-4-(4-p-tolyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)cyclobuta-1,3-diene-1,3-bis(olate)","","- C39 H34 N2 O4 -","- C39 H34 N2 O4 -","- C78 H68 N4 O8 -","2","1","","Yang, Lin; Yang, Daobin; Chen, Yao; Wu, Jianglin; Lu, Zhiyun; Sasabe, Hisahiro; Kido, Junji; Sano, Takeshi; Huang, Yan","Effects of different types of unsymmetrical squaraines on the material properties and Coulomb interactions in organic photovoltaic devices","Materials Chemistry Frontiers","2018","2","11","2116","","10.1039/C8QM00327K","","x-ray","0.71073","MoKα","","0.1694","0.089","","","0.2484","0.3026","","","","","","0.954","","","","has coordinates,has disorder","237039","2020-10-21","18:00:00",""
"1554228","9.825","0.0002","9.4992","0.0002","10.7097","0.0002","90","","107.106","0.002","90","","955.32","0.03","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Xiong, Jianbo; Li, Xinyue; Yuan, Chunqing; Semin, Sergey; Yao, Zhaoquan; Xu, Jialiang; Rasing, Theo; Bu, Xian-He","Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens","Materials Chemistry Frontiers","2018","2","12","2263","","10.1039/C8QM00375K","","","1.54184","CuKα","","0.0545","0.0519","","","0.1317","0.1344","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554229","9.8155","0.0002","15.6764","0.0002","22.6588","0.0002","90","","90","","90","","3486.55","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 I4 -","- C26 H16 I4 -","- C104 H64 I16 -","4","1","","Xiong, Jianbo; Li, Xinyue; Yuan, Chunqing; Semin, Sergey; Yao, Zhaoquan; Xu, Jialiang; Rasing, Theo; Bu, Xian-He","Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens","Materials Chemistry Frontiers","2018","2","12","2263","","10.1039/C8QM00375K","","","1.54184","CuKα","","0.0623","0.0585","","","0.1867","0.1914","","","","","","1.077","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554230","9.6034","0.0002","15.4711","0.0002","22.0743","0.0003","90","","90","","90","","3279.69","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 Br4 -","- C26 H16 Br4 -","- C104 H64 Br16 -","4","1","","Xiong, Jianbo; Li, Xinyue; Yuan, Chunqing; Semin, Sergey; Yao, Zhaoquan; Xu, Jialiang; Rasing, Theo; Bu, Xian-He","Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens","Materials Chemistry Frontiers","2018","2","12","2263","","10.1039/C8QM00375K","","","1.54184","CuKα","","0.0355","0.0327","","","0.0917","0.0937","","","","","","1.134","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554231","9.3671","0.0002","10.3688","0.0001","18.1087","0.0003","98.152","0.001","91.531","0.001","109.275","0.001","1638.36","0.05","153","2","153","2","","","","","","","","3","P -1","-P 1","2","DPAc-4PyPM","","","- C46 H32 N4 -","- C46 H32 N4 -","- C92 H64 N8 -","2","1","","Zhang, Qing; Sun, Shuaiqiang; Lv, Xialei; Liu, Wei; Zeng, Hongxia; Guo, Runda; Ye, Shaofeng; Leng, Panpan; Xiang, Songpo; Wang, Lei","Manipulating the positions of CH⋯N in acceptors of pyrimidine–pyridine hybrids for highly efficient sky-blue thermally activated delayed fluorescent OLEDs","Materials Chemistry Frontiers","2018","2","11","2054","","10.1039/C8QM00382C","","","0.71073","MoKα","","0.0559","0.0526","","","0.1481","0.1514","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554232","9.36291","0.00019","10.3424","0.0003","18.1892","0.0005","97.675","0.002","91.13","0.002","109.359","0.002","1643.02","0.08","100.01","0.13","100.01","0.13","","","","","","","","3","P -1","-P 1","2","DPAc-6PyPM","DPAc-6PyPM","","- C46 H32 N4 -","- C46 H32 N4 -","- C92 H64 N8 -","2","1","","Zhang, Qing; Sun, Shuaiqiang; Lv, Xialei; Liu, Wei; Zeng, Hongxia; Guo, Runda; Ye, Shaofeng; Leng, Panpan; Xiang, Songpo; Wang, Lei","Manipulating the positions of CH⋯N in acceptors of pyrimidine–pyridine hybrids for highly efficient sky-blue thermally activated delayed fluorescent OLEDs","Materials Chemistry Frontiers","2018","2","11","2054","","10.1039/C8QM00382C","","x-ray","1.54184","CuKα","","0.0667","0.0621","","","0.1632","0.1667","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554233","7.297","0.004","6.045","0.003","8.354","0.004","90","","90","","90","","368.5","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C3 H3 N O2 -","- C3 H3 N O2 -","- C12 H12 N4 O8 -","4","0.5","","Fang, Manman; Yang, Jie; Xiang, Xueqin; Xie, Yujun; Dong, Yongqiang; Peng, Qian; Li, Qianqian; Li, Zhen","Unexpected room-temperature phosphorescence from a non-aromatic, low molecular weight, pure organic molecule through the intermolecular hydrogen bond","Materials Chemistry Frontiers","2018","2","11","2124","","10.1039/C8QM00396C","","","0.71073","MoKα","","0.0373","0.0327","","","0.0955","0.1017","","","","","","1.161","","","","has coordinates","237044","2020-10-21","18:00:00",""
"1554234","6.094","0.005","7.56","0.006","9.327","0.006","90","","124.18","0.04","90","","355.5","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H2 N2 O0 -","- C3 H2 N2 -","- C12 H8 N8 -","4","1","","Fang, Manman; Yang, Jie; Xiang, Xueqin; Xie, Yujun; Dong, Yongqiang; Peng, Qian; Li, Qianqian; Li, Zhen","Unexpected room-temperature phosphorescence from a non-aromatic, low molecular weight, pure organic molecule through the intermolecular hydrogen bond","Materials Chemistry Frontiers","2018","2","11","2124","","10.1039/C8QM00396C","","","0.71073","MoKα","","0.0756","0.0655","","","0.1843","0.1913","","","","","","1.214","","","","has coordinates","237044","2020-10-21","18:00:00",""
"1554235","5.146","0.003","5.331","0.003","8.386","0.006","108.358","0.01","100.693","0.013","95.006","0.01","211.9","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C3 H4 O4 -","- C2.985 H4 O4 -","- C5.97 H8 O8 -","2","1","","Fang, Manman; Yang, Jie; Xiang, Xueqin; Xie, Yujun; Dong, Yongqiang; Peng, Qian; Li, Qianqian; Li, Zhen","Unexpected room-temperature phosphorescence from a non-aromatic, low molecular weight, pure organic molecule through the intermolecular hydrogen bond","Materials Chemistry Frontiers","2018","2","11","2124","","10.1039/C8QM00396C","","","0.71073","MoKα","","0.0467","0.0433","","","0.1131","0.1166","","","","","","1.096","","","","has coordinates","237044","2020-10-21","18:00:00",""
"1554610","13.8699","0.0006","17.1455","0.0007","14.2982","0.0008","90","","100.97","0.002","90","","3338.1","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 F12 N6 Ni P2 -","- C26 H28 F12 N6 Ni P2 -","- C104 H112 F48 N24 Ni4 P8 -","4","1","","Lieske, Lauren E.; Rheingold, Arnold L.; Machan, Charles W.","Electrochemical reduction of carbon dioxide with a molecular polypyridyl nickel complex","Sustainable Energy & Fuels","2018","2","6","1269","","10.1039/C8SE00027A","","x-ray","0.71073","MoKα","","0.0902","0.0471","","","0.0906","0.1046","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1556099","11.179","0.001","13.411","0.002","14.382","0.001","84.26","0.01","83.38","0.02","85.51","0.01","2126.2","0.4","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H62 O7 -","- C49 H62 O7 -","- C98 H124 O14 -","2","1","","Stephan, ?; Gloe, ?; Paulus, ?; Saadioui, ?; Böhmer, V, ?","Calix Crowns Derived from para-Bridged Calix","Organic letters","2000","2","6","839","841","10.1021/ol005581b","","","0.71073","MoKα","","0.1416","0.0546","","","0.105","0.1303","","","","","","0.867","","","","has coordinates","243462","2020-10-21","18:00:00",""
"1556286","11.5434","0.0011","14.8956","0.0015","15.1659","0.0015","62.313","0.001","86.134","0.001","78.115","0.001","2258.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.2 H48.4 Cl0.4 N2 O P2 -","- C54.2 H48.4 Cl0.4 N2 O P2 -","- C108.4 H96.8 Cl0.8 N4 O2 P4 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.1432","0.0646","","","0.1472","0.1827","","","","","","1.11","","","","has coordinates","244148","2020-10-21","18:00:00",""
"1556287","18.0198","0.0009","14.0045","0.0007","16.7584","0.0009","90","","109.646","0.001","90","","3982.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 N2 O P2 -","- C50 H40 N2 O P2 -","- C200 H160 N8 O4 P8 -","4","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0465","0.0394","","","0.1041","0.1079","","","","","","1.081","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556288","9.373","0.011","13.769","0.017","17.95","0.02","104.285","0.015","90.99","0.014","92.535","0.015","2242","5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H39 N2 O P2 -","- C51 H39 N2 O P2 -","- C102 H78 N4 O2 P4 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.178","0.0794","","","0.1825","0.2141","","","","","","0.915","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556289","14.3702","0.0007","15.2542","0.0007","17.2588","0.0008","81.451","0.001","66.469","0.001","76.867","0.001","3370.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H77 B N2 O P2 Zn -","- C85 H77 B N2 O P2 Zn -","- C170 H154 B2 N4 O2 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.037","0.0302","","","0.0785","0.0825","","","","","","1.016","","","","has coordinates","244148","2020-10-21","18:00:00",""
"1556290","9.9214","0.0008","17.1175","0.0013","18.4747","0.0014","86.754","0.001","78.725","0.001","80.859","0.001","3036.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C76.18 H63.47 B N2 O P2 Zn -","- C76.2 H63.48 B N2 O P2 Zn -","- C152.4 H126.96 B2 N4 O2 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0878","0.0445","","","0.0849","0.0987","","","","","","1.012","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556291","9.9023","0.0005","16.867","0.0009","20.7112","0.0011","101.974","0.001","91.114","0.001","95.296","0.001","3366.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C80.65 H63.86 B N2 O P2 Zn -","- C80.65 H63.86 B N2 O P2 Zn -","- C161.3 H127.72 B2 N4 O2 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0465","0.0387","","","0.1026","0.1073","","","","","","1.069","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556292","11.4655","0.0017","19.564","0.003","19.662","0.003","99.64","0.002","103.416","0.002","92.916","0.002","4210.9","1.1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C86.83 H60.66 B Cl1.66 F24 N2 O4 P2 Zn -","- C86.83 H60.66 B Cl1.66 F24 N2 O4 P2 Zn -","- C173.66 H121.32 B2 Cl3.32 F48 N4 O8 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.1704","0.0785","","","0.1742","0.2148","","","","","","1.02","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556293","18.781","0.0011","27.1179","0.0016","18.6506","0.0011","90","","116.785","0.001","90","","8479.6","0.9","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C90 H60 B Br0.38 F24 N2 O4 P2 Zn -","- C90 H60 B Br0.38 F24 N2 O4 P2 Zn -","- C360 H240 B4 Br1.52 F96 N8 O16 P8 Zn4 -","4","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0797","0.0613","","","0.1516","0.1617","","","","","","1.117","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556294","10.378","0.002","16.008","0.003","31.765","0.006","90","","95.61","0.03","90","","5251.9","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H50 Br2 N2 Ni -","- C57 H50 Br2 N2 Ni -","- C228 H200 Br8 N8 Ni4 -","4","1","","Liu, Hao; Zhao, Weizhen; Yu, Jiangang; Yang, Wenhong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Synthesis, characterization and ethylenepolymerization behavior of nickel dihalide complexes bearing bulky unsymmetrical α-diimine ligands","Catal. Sci. Technol.","2012","2","2","415","","10.1039/C1CY00319D","","","0.71073","MoKα","","0.0886","0.0696","","","0.1778","0.1894","","","","","","1.175","","","","has coordinates","244149","2020-10-21","18:00:00",""
"1556295","15.352","0.003","22.551","0.005","15.38","0.003","90","","106.96","0.03","90","","5093","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Br2 N2 Ni -","- C56 H48 Br2 N2 Ni -","- C224 H192 Br8 N8 Ni4 -","4","1","","Liu, Hao; Zhao, Weizhen; Yu, Jiangang; Yang, Wenhong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Synthesis, characterization and ethylenepolymerization behavior of nickel dihalide complexes bearing bulky unsymmetrical α-diimine ligands","Catal. Sci. Technol.","2012","2","2","415","","10.1039/C1CY00319D","","","0.71073","MoKα","","0.0937","0.0683","","","0.1528","0.1664","","","","","","1.105","","","","has coordinates","244149","2020-10-21","18:00:00",""
"1556296","15.33","0.003","22.285","0.005","14.954","0.003","90","","106.33","0.03","90","","4902.6","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cl2 N2 Ni O0 -","- C54 H44 Cl2 N2 Ni -","- C216 H176 Cl8 N8 Ni4 -","4","1","","Liu, Hao; Zhao, Weizhen; Yu, Jiangang; Yang, Wenhong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Synthesis, characterization and ethylenepolymerization behavior of nickel dihalide complexes bearing bulky unsymmetrical α-diimine ligands","Catal. Sci. Technol.","2012","2","2","415","","10.1039/C1CY00319D","","","0.71073","MoKα","","0.1619","0.1173","","","0.278","0.3059","","","","","","1.155","","","","has coordinates","244149","2020-10-21","18:00:00",""
"1556297","15.492","0.008","17.191","0.01","25.784","0.01","90","","90","","90","","6867","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Cl4 Co N3 O2 -","- C28 H33 Cl4 Co N3 O2 -","- C224 H264 Cl32 Co8 N24 O16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.3039","0.0972","","","0.201","0.2764","","","","","","0.85","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556298","23.2849","0.0008","16.2809","0.0004","17.6654","0.0005","90","","106.957","0.003","90","","6405.8","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H33 Cl4 Fe N3 S2 -","- C28 H33 Cl4 Fe N3 S2 -","- C224 H264 Cl32 Fe8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.0892","0.0539","","0.1494","","0.1265","","","1.027","","","1.103","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556299","16.114","0.002","8.9394","0.0007","27.383","0.004","90","","99.828","0.014","90","","3886.6","0.8","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H43 Cl2 Fe N3 O3 -","- C41 H43 Cl2 Fe N3 O3 -","- C164 H172 Cl8 Fe4 N12 O12 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.1164","0.0586","","0.1604","","0.1274","","","1.041","","","1.146","","","","has coordinates","244205","2020-10-21","18:00:00",""
"1556300","17.148","0.004","20.564","0.004","22.319","0.004","90","","90","","90","","7870","3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 Cl4 Fe N3 S2 -","- C38 H37 Cl4 Fe N3 S2 -","- C304 H296 Cl32 Fe8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1875","0.075","","","0.1522","0.1874","","","","","","0.926","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556301","12.3896","0.0016","19.617","0.002","16.797","0.002","90","","95.449","0.016","90","","4064","0.8","203","","203","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H38 Cl6 N3 S2 V -","- C38.5 H38 Cl6 N3 S2 V -","- C154 H152 Cl24 N12 S8 V4 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.0976","0.0545","","","0.1164","0.1297","","","","","","0.987","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556302","12.3561","0.0014","19.623","0.002","16.75","0.002","90","","95.756","0.015","90","","4040.8","0.8","203","","203","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H38 Cl6 Cr N3 S2 -","- C38.5 H38 Cl6 Cr N3 S2 -","- C154 H152 Cl24 Cr4 N12 S8 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.0648","0.0416","","","0.0966","0.1051","","","","","","1.02","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556303","17.056","0.003","20.693","0.007","22.231","0.004","90","","90","","90","","7846","3","203","","203","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 Cl4 Mn N3 S2 -","- C38 H37 Cl4 Mn N3 S2 -","- C304 H296 Cl32 Mn8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1762","0.0746","","","0.1239","0.1495","","","","","","0.925","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556304","17.54","0.003","20.405","0.004","22.23","0.004","90","","90","","90","","7956","3","203","","203","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H43 Br2 N3 Ni O S2 -","- C41 H43 Br2 N3 Ni O S2 -","- C328 H344 Br16 N24 Ni8 O8 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1832","0.0786","","","0.1878","0.2168","","","","","","1.049","","","","has coordinates","244205","2020-10-21","18:00:00",""
"1556305","9.2178","0.0011","29.17","0.002","16.7749","0.0011","90","","92.674","0.007","90","","4505.6","0.7","183","","183","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H50 Cl5 Fe N3 O2 -","- C44.5 H50 Cl5 Fe N3 O2 -","- C178 H200 Cl20 Fe4 N12 O8 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.0899","0.0562","","0.1567","0.1323","","","","1.029","","","1.085","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556306","12.8687","0.0006","19.6515","0.0016","18.0924","0.0009","90","","90.931","0.004","90","","4574.8","0.5","183","","183","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.25 H49.5 Cl4.5 Co N3 O2 -","- C44.25 H49.5 Cl4.5 Co N3 O2 -","- C177 H198 Cl18 Co4 N12 O8 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.106","0.0615","","","0.1421","0.1587","","","","","","1.008","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556307","34.005","0.003","10.0092","0.0011","27.105","0.003","90","","94.482","0.007","90","","9197.3","1.7","183","","183","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H50 Cl5 Fe N3 S2 -","- C44.5 H50 Cl5 Fe N3 S2 -","- C356 H400 Cl40 Fe8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.1005","0.0594","","","0.1282","0.1417","","","","","","1.029","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556308","34.234","0.006","10.0665","0.001","27.315","0.004","90","","93.888","0.012","90","","9392","2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H50 Cl5 Co N3 S2 -","- C44.5 H50 Cl5 Co N3 S2 -","- C356 H400 Cl40 Co8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.0878","0.0494","","","0.1171","0.1321","","","","","","1.005","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556309","7.8175","0.0016","16.296","0.003","16.654","0.003","100.4","0.03","100.58","0.03","102.97","0.03","1977.2","0.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Cl O3 P Pd -","- C19 H26 Cl O3 P Pd -","- C76 H104 Cl4 O12 P4 Pd4 -","4","2","","Fuentes, José A.; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Application of palladium (trioxo-adamantyl cage phosphine)chloride complexes as catalysts for the alkoxycarbonylation of styrene; Pd catalysed tert-butoxycarbonylation of styrene","Catalysis Science & Technology","2012","2","4","715","","10.1039/c2cy00521b","","","0.71073","MoKα","","0.0798","0.0594","","","0.1431","0.1561","","","","","","1.164","","","","has coordinates","244206","2020-10-21","18:00:00",""
"1556310","9.552","0.003","15.094","0.004","16.038","0.004","90","","100.126","0.007","90","","2276.3","1.1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl O4 P Pd -","- C22 H32 Cl O4 P Pd -","- C88 H128 Cl4 O16 P4 Pd4 -","4","1","","Fuentes, José A.; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Application of palladium (trioxo-adamantyl cage phosphine)chloride complexes as catalysts for the alkoxycarbonylation of styrene; Pd catalysed tert-butoxycarbonylation of styrene","Catalysis Science & Technology","2012","2","4","715","","10.1039/c2cy00521b","","","0.71073","MoKα","","0.0455","0.0411","","","0.0954","0.0981","","","","","","1.1","","","","has coordinates","244206","2020-10-21","18:00:00",""
"1556311","8.301","0.003","10.979","0.004","11.71","0.003","80.225","0.012","85.04","0.03","89.69","0.02","1047.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F12 N2 O2 -","- C18 H18 F12 N2 O2 -","- C36 H36 F24 N4 O4 -","2","1","","Legros, Julien; Bonnet-Delpon, Danièle; Crousse, Benoit; Slawin, Alexandra M. Z.","Self-assembly between 1,4-diazabicyclo[2.2.2]octane and bis(hexafluoroalcohols): solid/liquid phase switching for catalyst recycling","Catalysis Science & Technology","2012","2","5","934","","10.1039/c2cy00528j","","","1.54178","CuKα","","0.07","0.059","","","0.1634","0.177","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556312","25.06","0.02","6.782","0.005","13.057","0.015","90","","110.81","0.03","90","","2074","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 F12 N2 O2 -","- C18 H18 F12 N2 O2 -","- C72 H72 F48 N8 O8 -","4","1","","Legros, Julien; Bonnet-Delpon, Danièle; Crousse, Benoit; Slawin, Alexandra M. Z.","Self-assembly between 1,4-diazabicyclo[2.2.2]octane and bis(hexafluoroalcohols): solid/liquid phase switching for catalyst recycling","Catalysis Science & Technology","2012","2","5","934","","10.1039/c2cy00528j","","","1.54178","CuKα","","0.1404","0.1324","","","0.3253","0.3567","","","","","","1.33","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556313","7.724","0.005","13.385","0.005","14","0.005","68.935","0.005","83.939","0.005","89.447","0.005","1342.5","1.1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H24 Br N3 O5 Pd S -","- C23 H20 Br N3 O3 Pd S -","- C46 H40 Br2 N6 O6 Pd2 S2 -","2","1","","Srinivas, Keesara; Srinivas, Pottabathula; Prathima, Parvathaneni Sai; Balaswamy, Kodicherla; Sridhar, Balsubramanian; Rao, Mandapati Mohan","Thiopseudourea ligated palladium complexes: synthesis, characterization and application as catalysts for Suzuki‒Miyaura, Sonogashira, Heck and Hiyama reactions","Catalysis Science & Technology","2012","2","6","1180","","10.1039/c2cy00542e","","x-ray","0.71073","MoKα","","0.0298","0.0278","","","0.0767","0.0784","","","","","","1.077","","","","has coordinates","244208","2020-10-21","18:00:00",""
"1556314","10.515","0.002","13.887","0.003","15.272","0.003","80.61","0.03","71.05","0.03","70.1","0.03","1979.8","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H84 Br0 N2 Ni O2 -","- C90 H84 N2 Ni O2 -","- C90 H84 N2 Ni O2 -","1","0.5","","Zhou, Zihong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Nickel bis{4,6-dibenzhydryl-2-[(arylimino)methyl]phenoxylate} complexes: Synthesis, structures, and catalytic behaviour towards ethylene and norbornene","Catalysis Science & Technology","2012","2","7","1340","","10.1039/c2cy20028g","","","0.71073","MoKα","","","0.0787","","","0.2086","0.2206","","","","","","1.144","","","","has coordinates","244209","2020-10-21","18:00:00",""
"1556315","47.225","0.009","16.333","0.003","17.278","0.004","90","","110.26","0.03","90","","12502","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H56 F4 N2 Ni O2 -","- C78 H56 F4 N2 Ni O2 -","- C624 H448 F32 N16 Ni8 O16 -","8","1","","Zhou, Zihong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Nickel bis{4,6-dibenzhydryl-2-[(arylimino)methyl]phenoxylate} complexes: Synthesis, structures, and catalytic behaviour towards ethylene and norbornene","Catalysis Science & Technology","2012","2","7","1340","","10.1039/c2cy20028g","","","0.71073","MoKα","","","0.0974","","","0.2313","0.2436","","","","","","1.175","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556316","8.8191","0.0006","17.5507","0.0011","20.7531","0.0013","90","","90","","90","","3212.2","0.4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C136 H136 N8 O40 -","8","1","","Ananthakrishnan, Rajakumar; Gazi, Sarifuddin","[Ru(bpy)3]2+ aided photocatalytic synthesis of 2-arylpyridines via Hantzsch reaction under visible irradiation and oxygen atmosphere","Catalysis Science & Technology","2012","2","7","1463","","10.1039/c2cy20050c","","","0.71073","MoKα","","0.0788","0.052","","","0.1416","0.1682","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556317","10.9698","0.0005","12.9718","0.0006","13.3427","0.0007","91.834","0.003","104.278","0.003","92.66","0.003","1836.16","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N2 O3 Zn -","- C40 H54 N2 O3 Zn -","- C80 H108 N4 O6 Zn2 -","2","1","","Taherimehr, Masoumeh; Decortes, Antonello; Al-Amsyar, Syed M.; Lueangchaichaweng, Warunee; Whiteoak, Christopher J.; Escudero-Adán, Eduardo C.; Kleij, Arjan W.; Pescarmona, Paolo P.","A highly active Zn(salphen) catalyst for production of organic carbonates in a green CO2 medium","Catalysis Science & Technology","2012","2","11","2231","","10.1039/c2cy20171b","","","0.71073","MoKα","","0.0597","0.0431","","","0.1182","0.1279","","","","","","1.043","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556318","42.19","","9.719","","31.932","","90","","110.08","","90","","12297.6","","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68.5 H85 N4 O9 Zn2 -","- C68.5 H85 N4 O9 Zn2 -","- C548 H680 N32 O72 Zn16 -","8","1","","Taherimehr, Masoumeh; Decortes, Antonello; Al-Amsyar, Syed M.; Lueangchaichaweng, Warunee; Whiteoak, Christopher J.; Escudero-Adán, Eduardo C.; Kleij, Arjan W.; Pescarmona, Paolo P.","A highly active Zn(salphen) catalyst for production of organic carbonates in a green CO2 medium","Catalysis Science & Technology","2012","2","11","2231","","10.1039/c2cy20171b","","","0.71073","MoKα","","0.063","0.0393","","","0.0984","0.112","","","","","","1.024","","","","has coordinates,has disorder","244211","2020-10-21","18:00:00",""
"1556319","17.529","0.004","18.752","0.004","25.656","0.005","90","","90","","90","","8433","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H38 Cl2 N2 O Ti -","- C48 H38 Cl2 N2 O Ti -","- C384 H304 Cl16 N16 O8 Ti8 -","8","1","","Huang, Wei; Zhang, Wenjuan; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl","Synthesis, characterization, and the ethylene (co-)polymerization behaviour of half-titanocene dichloride 2-aryliminoquinolin-8-olates","Catalysis Science & Technology","2012","2","10","2090","","10.1039/c2cy20240a","","","0.71073","MoKα","","0.1428","0.1065","","","0.2577","0.2817","","","","","","1.153","","","","has coordinates","244212","2020-10-21","18:00:00",""
"1556320","53.675","0.011","10.021","0.002","24.886","0.005","90","","100.29","0.03","90","","13170","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 N2 O Ti -","- C37 H32 Cl2 N2 O Ti -","- C592 H512 Cl32 N32 O16 Ti16 -","16","2","","Huang, Wei; Zhang, Wenjuan; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl","Synthesis, characterization, and the ethylene (co-)polymerization behaviour of half-titanocene dichloride 2-aryliminoquinolin-8-olates","Catalysis Science & Technology","2012","2","10","2090","","10.1039/c2cy20240a","","","0.71073","MoKα","","","0.0932","","","0.2446","0.2632","","","","","","1.069","","","","has coordinates","244212","2020-10-21","18:00:00",""
"1556321","18.108","0.001","9.5124","0.0005","18.3546","0.0012","90","","113.59","0.008","90","","2897.4","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Au Cl3 N2 -","- C12 H12 Au Cl3 N2 -","- C96 H96 Au8 Cl24 N16 -","8","2","","O'Neill, James A. T.; Rosair, Georgina M.; Lee, Ai-Lan","Gold(iii)–oxo complexes as catalysts in intramolecular hydroamination","Catalysis Science & Technology","2012","2","9","1818","","10.1039/c2cy20255g","","","0.710747","Molybdenum","","0.0199","0.0175","","","0.0437","0.0447","","","","","","1.044","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556322","22.1175","0.001","14.791","0.0007","9.5257","0.0004","90","","99.676","0.002","90","","3071.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Au Cl4 N2 -","- C12 H13 Au Cl4 N2 -","- C96 H104 Au8 Cl32 N16 -","8","1","","O'Neill, James A. T.; Rosair, Georgina M.; Lee, Ai-Lan","Gold(iii)‒oxo complexes as catalysts in intramolecular hydroamination","Catalysis Science & Technology","2012","2","9","1818","","10.1039/c2cy20255g","","","0.71073","MoKα","","0.0356","0.0275","","","0.0615","0.0649","","","","","","1.016","","","","has coordinates","244213","2020-10-21","18:00:00",""
"1556323","7.6032","0.0006","9.2289","0.0008","9.96","0.0009","82.321","0.005","85.907","0.005","88.085","0.005","690.65","0.1","200","2","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Au Cl N2 O5 -","- C12 H12 Au Cl N2 O5 -","- C24 H24 Au2 Cl2 N4 O10 -","2","1","","O'Neill, James A. T.; Rosair, Georgina M.; Lee, Ai-Lan","Gold(iii)–oxo complexes as catalysts in intramolecular hydroamination","Catalysis Science & Technology","2012","2","9","1818","","10.1039/c2cy20255g","","","0.71073","MoKα","","0.0821","0.0724","","","0.1982","0.2089","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556324","20.5265","0.0009","13.4139","0.0009","29.7267","0.0015","90","","91.812","0.002","90","","8180.9","0.8","116","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Cl4 N2 O3 Ru -","- C40 H54 Cl4 N2 O3 Ru -","- C320 H432 Cl32 N16 O24 Ru8 -","8","2","","Leitgeb, Anita; Abbas, Mudassar; Fischer, Roland C.; Poater, Albert; Cavallo, Luigi; Slugovc, Christian","A latent ruthenium based olefin metathesis catalyst with a sterically demanding NHC ligand","Catalysis Science & Technology","2012","2","8","1640","","10.1039/c2cy20311a","","x-ray","0.71073","MoKα","","0.0468","0.0284","","","0.0608","0.0706","","","","","","1.029","","","","has coordinates","244214","2020-10-21","18:00:00",""
"1556464","18.789","0.003","13.537","0.0016","13.1826","0.0016","90","","109.175","0.012","90","","3166.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Br O8 Ru2 -","- C32 H28 Br O8 Ru2 -","- C128 H112 Br4 O32 Ru8 -","4","0.5","","Delgado-Martinez, P.; Elvira-Bravo, A.; Gonzalez-Prieto, R.; Priego, J.L.; Jimenez-Aparicio, R.; Torres, M.R.","Synthesis of Ru2Br(mu-O2CC6H4-R)4 (R = o-Me, m-Me, p-Me) Using Microwave Activation: Structural and Magnetic Properties","Inorganics","2014","2","","524","536","10.3390/inorganics2030524","","","0.71073","MoKα","","0.0372","0.0266","","","0.0721","0.0804","","","","","","0.995","","","","has coordinates","244950","2020-10-21","18:00:00",""
"1556465","13.0936","0.0004","11.1271","0.0004","21.8306","0.0007","90","","98.071","0.003","90","","3149.08","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Br O8 Ru2 -","- C32 H28 Br O8 Ru2 -","- C128 H112 Br4 O32 Ru8 -","4","1","","Delgado-Martinez, P.; Elvira-Bravo, A.; Gonzalez-Prieto, R.; Priego, J.L.; Jimenez-Aparicio, R.; Torres, M.R.","Synthesis of Ru2Br(mu-O2CC6H4-R)4 (R = o-Me, m-Me, p-Me) Using Microwave Activation: Structural and Magnetic Properties","Inorganics","2014","2","","524","536","10.3390/inorganics2030524","","","0.71073","MoKα","","0.073","0.0445","","","0.1015","0.1206","","","","","","0.993","","","","has coordinates","244951","2020-10-21","18:00:00",""
"1556466","12.9939","0.0007","10.1996","0.0005","24.8297","0.0016","90","","94.623","0.005","90","","3280","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H28 Br O8 Ru2 -","- C32 H28 Br O8 Ru2 -","- C128 H112 Br4 O32 Ru8 -","4","0.5","","Delgado-Martinez, P.; Elvira-Bravo, A.; Gonzalez-Prieto, R.; Priego, J.L.; Jimenez-Aparicio, R.; Torres, M.R.","Synthesis of Ru2Br(mu-O2CC6H4-R)4 (R = o-Me, m-Me, p-Me) Using Microwave Activation: Structural and Magnetic Properties","Inorganics","2014","2","","524","536","10.3390/inorganics2030524","","","0.71073","MoKα","","0.071","0.0406","","","0.0711","0.0851","","","","","","0.997","","","","has coordinates","244952","2020-10-21","18:00:00",""
"1556736","7.2016","0.0004","9.7603","0.0004","12.2829","0.0004","95.4952","0.0016","92.51","0.002","101.346","0.002","840.86","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H22 S Si2 -","- C13 H22 S Si2 -","- C26 H44 S2 Si4 -","2","1","YC5004","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71069","MoKα","","0.0762","0.0524","","","0.0532","0.0549","","","","2.49","2.49","2.27","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556737","34.148","0.006","6.869","0.0012","10.3442","0.0018","90","","98.343","0.008","90","","2400.7","0.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 S2 Si2 -","- C22 H30 S2 Si2 -","- C88 H120 S8 Si8 -","4","0.5","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.0424","0.0307","","","0.0435","0.0442","","","","2.41","2.41","2.19","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556738","6.8197","0.0003","12.1073","0.0005","16.1123","0.0007","92.3607","0.0019","93.9781","0.0019","98.3425","0.0019","1311.34","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 O4 S2 Si2 -","- C22 H30 O4 S2 Si2 -","- C44 H60 O8 S4 Si4 -","2","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.0512","0.035","","","0.0436","0.0443","","","","2.5","2.5","2.15","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556739","7.3096","0.0002","11.3935","0.0003","18.7425","0.0006","73.167","0.002","105.319","0.002","118.926","0.002","1293.21","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 O4 S2 Si2 -","- C22 H30 O4 S2 Si2 -","- C44 H60 O8 S4 Si4 -","2","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.1083","0.074","","","0.0911","0.0925","","","","3.68","3.68","3.05","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556740","5.73","0.0003","10.2961","0.0005","10.9801","0.0006","85.9433","0.0017","79.7181","0.0016","80.115","0.0015","627.39","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 O4 S2 Si2 -","- C22 H30 O4 S2 Si2 -","- C22 H30 O4 S2 Si2 -","1","0.5","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.0417","0.03","","","0.0386","0.0393","","","","2.39","2.39","2.19","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556741","34.344","0.002","8.1665","0.0005","20.0791","0.0012","90","","100.532","0.002","90","","5536.7","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 O2 S3 Si2 -","- C22 H32 O2 S3 Si2 -","- C176 H256 O16 S24 Si16 -","8","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.0691","0.0489","","","0.058","0.0588","","","","3.43","3.43","3.02","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556742","33.63","0.01","8.271","0.002","19.717","0.006","90","","90","","90","","5484","3","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H32 O2 S3 Si2 -","- C22 H32 O2 S3 Si2 -","- C176 H256 O16 S24 Si16 -","8","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.1288","0.0869","","","0.0816","0.0848","","","","3.8","3.8","3.22","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556743","31.8766","0.0008","8.4003","0.0005","10.0737","0.0003","90","","95.684","0.002","90","","2684.2","0.19","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 O2 S3 Si2 -","- C22 H30 O2 S3 Si2 -","- C88 H120 O8 S12 Si8 -","4","0.5","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71069","MoKα","","0.1097","0.0628","","","0.0639","0.0669","","","","2.95","2.95","2.36","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556744","10.5399","0.0004","13.8276","0.0005","19.9987","0.0008","79.94","0.002","84.589","0.002","89.771","0.002","2856.81","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 O8 S3 Si2 -","- C22 H30 O8 S3 Si2 -","- C88 H120 O32 S12 Si8 -","4","2","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71069","MoKα","","0.053","0.0372","","","0.0413","0.0422","","","","2.12","2.12","1.96","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556745","7.7849","0.0004","10.5146","0.0005","31.2712","0.0014","90","","90","","90","","2559.7","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 S2 Si2 -","- C22 H38 S2 Si2 -","- C88 H152 S8 Si8 -","4","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.028","0.0267","","","0.0399","0.04","","","","2.75","2.75","2.72","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556746","34.443","0.003","6.7415","0.0004","10.1978","0.0008","90","","96.889","0.005","90","","2350.8","0.3","100","","100","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H28 S3 Si2 -","- C20 H28 S3 Si2 -","- C80 H112 S12 Si8 -","4","0.5","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71069","MoKα","","0.1095","0.078","","","0.0608","0.0625","","","","2.84","2.84","2.56","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556760","6.5133","0.0003","8.1853","0.0005","11.4965","0.0006","103.458","0.005","93.925","0.004","113.018","0.005","539.85","0.06","100","2","100","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0324","0.0306","","","0.0819","0.0836","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556761","6.7358","0.0008","6.9119","0.0008","12.3937","0.0009","74.468","0.009","85.298","0.008","73.28","0.01","532.43","0.1","100","2","100","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C22 H22 N2 O12 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0579","0.0539","","","0.1454","0.1472","","","","","","1.256","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556762","6.7323","0.0002","12.1142","0.0005","21.2077","0.0008","90","","97.146","0.003","90","","1716.19","0.11","100","2","100","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O10 -","- C18 H17 N O10 -","- C72 H68 N4 O40 -","4","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0557","0.0439","","","0.0911","0.0963","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556763","7.0213","0.0003","8.8214","0.0004","25.1416","0.0012","90","","90","","90","","1557.21","0.12","130","2","130","2","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O9 -","- C15 H16 N2 O9 -","- C60 H64 N8 O36 -","4","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0451","0.0393","","","0.0913","0.0958","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556764","4.9225","0.0004","11.7839","0.001","13.854","0.0016","97.248","0.008","96.773","0.008","90.663","0.006","791.35","0.13","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C15 H16 N2 O9 -","- C15 H16 N2 O9 -","- C30 H32 N4 O18 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.1174","0.1002","","","0.2315","0.2373","","","","","","1.103","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556765","9.3161","0.0005","11.2092","0.0003","13.7362","0.0007","102.926","0.003","104.398","0.004","96.571","0.003","1332.01","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O17 -","- C25 H29 N O17 -","- C50 H58 N2 O34 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","","0.71073","MoKα","","0.0787","0.074","","","0.1716","0.1737","","","","","","1.207","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556766","10.8426","0.0008","6.5202","0.0004","16.1326","0.0013","90","","106.391","0.008","90","","1094.16","0.14","100","2","100","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N O5 -","- C11 H9 N O5 -","- C44 H36 N4 O20 -","4","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.07","0.0484","","","0.107","0.1187","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556767","12.5506","0.0004","6.6807","0.0002","26.1586","0.0008","90","","98.815","0.003","90","","2167.41","0.12","100","2","100","2","","","","","","","see text","4","I 1 2/a 1","-I 2ya","15","","","","- C11 H9 N O6 -","- C11 H9 N O6 -","- C88 H72 N8 O48 -","8","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0567","0.0533","","","0.1334","0.1359","","","","","","1.164","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556768","9.3796","0.001","10.3981","0.0012","15.6415","0.0016","80.62","0.009","72.913","0.009","66.089","0.01","1331.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N O17 -","- C25 H27 N O17 -","- C50 H54 N2 O34 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","","0.71073","","","0.1272","0.0678","","","0.1569","0.1752","","","","","","0.908","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556769","40.692","0.003","5.4524","0.0003","16.3546","0.0009","90","","90","","90","","3628.6","0.4","100","2","100","2","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C19 H19 N O8 -","- C19 H19 N O8 -","- C152 H152 N8 O64 -","8","2","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0573","0.0483","","","0.1016","0.1079","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556770","6.6761","0.0003","9.1128","0.0004","10.9447","0.0004","93.397","0.003","107.694","0.003","108.173","0.004","593.92","0.05","100","2","100","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C12 H13 N O6 -","- C12 H13 N O6 -","- C24 H26 N2 O12 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0334","0.0312","","","0.0869","0.0884","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556771","18.451","0.009","10.54","0.005","8.157","0.004","90","","98.824","0.012","90","","1567.5","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.1061","0.0549","","","0.1549","0.193","","","","","","1.098","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556772","17.899","0.003","4.8544","0.0009","9.5259","0.0016","90","","101.847","0.004","90","","810.1","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.0551","0.0373","","","0.0707","0.1071","","","","","","1.214","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556773","20.243","0.005","4.9756","0.0014","20.839","0.006","90","","99.148","0.008","90","","2072.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C96 H112 N8 O8 -","4","1","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.1751","0.0785","","","0.1635","0.2013","","","","","","0.95","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556774","4.7315","0.001","9.213","0.002","16.39","0.004","90","","97.02","0.006","90","","709.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.0536","0.0401","","","0.1211","0.1319","","","","","","0.969","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556775","9.353","0.0006","10.9015","0.0007","19.9985","0.0014","90","","94.547","0.002","90","","2032.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N4 O6 -","- C18 H18 N4 O6 -","- C72 H72 N16 O24 -","4","1","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.099","0.0638","","","0.1882","0.203","","","","","","1.279","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556776","7.6364","0.0014","30.058","0.005","4.8885","0.0009","90","","95.523","0.006","90","","1116.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 O4 -","- C22 H26 N4 O4 -","- C44 H52 N8 O8 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.2052","0.0714","","","0.166","0.1999","","","","","","0.901","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556777","10.403","0.006","7.16","0.004","19.202","0.011","90","","101.156","0.017","90","","1403.2","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.121","0.043","","","0.0749","0.0801","","","","","","1.677","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556778","34.566","0.005","9.3338","0.0013","10.4191","0.0015","90","","100.401","0.004","90","","3306.3","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C144 H144 N32 O16 -","8","1","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.0797","0.0585","","","0.1745","0.1886","","","","","","1.367","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556779","4.7967","0.0015","11.547","0.004","14.726","0.005","90","","96.451","0.01","90","","810.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C36 H36 N8 O4 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.223","0.0646","","","0.1131","0.1403","","","","","","0.897","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556780","12.78","0.02","4.681","0.009","16.21","0.03","90","","93.42","0.03","90","","968","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C40 H52 N8 O8 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.1335","0.0853","","","0.2055","0.2241","","","","","","0.947","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556781","7.372","0.0007","4.9035","0.0004","31.586","0.003","90","","90.197","0.003","90","","1141.78","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N4 O4 -","- C22 H30 N4 O4 -","- C44 H60 N8 O8 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.0709","0.0599","","","0.2015","0.2079","","","","","","1.596","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556782","13.9735","0.0009","17.2451","0.0011","13.6166","0.0008","90","","105.489","0.002","90","","3162.1","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CS—AS-9–3 4-I—F4-PhCHO oxime, 4-(Me2N)-pyridine","","- C14 H12 F4 I N3 O -","- C14 H12 F4 I N3 O -","- C112 H96 F32 I8 N24 O8 -","8","2","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0629","0.0431","","","0.1019","0.1109","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556783","7.809","0.0011","9.6156","0.0014","11.452","0.0018","101.314","0.005","94.225","0.005","113.541","0.004","761.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","S—AV-14–5 4-Br-PhCH(=NOH), 4-(1-pyrrolidinyl)-pyridine","","- C16 H18 Br N3 O -","- C16 H18 Br N3 O -","- C32 H36 Br2 N6 O2 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0397","0.0294","","","0.0706","0.0782","","","","","","1.106","","","","has coordinates,has disorder","301780","2025-08-18","21:43:36",""
"1556784","9.3718","0.0006","9.6497","0.0006","14.1666","0.0009","98.672","0.003","105.769","0.002","110.884","0.003","1107.38","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","SD-1–27-6–4 4-(1-pyrrolidinyl)-pyridine, (4-Br-PhCOOH)2","","- C23 H22 Br2 N2 O4 -","- C23 H22 Br2 N2 O4 -","- C46 H44 Br4 N4 O8 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0999","0.0582","","","0.1139","0.1288","","","","","","1.043","","","","has coordinates,has disorder","301780","2025-08-18","21:43:36",""
"1556785","13.5603","0.0012","8.17","0.0008","12.2863","0.0012","90","","92.157","0.003","90","","1360.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","D-1–27-6–2 4-(Me2N)-pyridine, 4-Br-PhCOOH","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0402","0.0282","","","0.0632","0.0671","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556786","25.216","0.002","6.0746","0.0005","19.0419","0.0016","90","","107.453","0.003","90","","2782.5","0.4","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","SD—A-1‒4 4-I—F4-PhCOOH, 4-benzoylpyridine","","- C31 H19 F4 I N2 O4 -","- C31 H19 F4 I N2 O4 -","- C124 H76 F16 I4 N8 O16 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.09","0.0832","","","0.213","0.2173","","","","","","1.198","","","","has coordinates,has disorder","246058","2020-10-21","18:00:00",""
"1556787","6.2888","0.0005","7.4027","0.0006","8.1348","0.0006","84.773","0.003","82.604","0.003","83.781","0.002","372.2","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","CS—AE-5–12 4-iodobenzoic acid, 4,4'-bipyridyl","","- C17 H13 I N2 O2 -","- C17 H13 I N2 O2 -","- C17 H13 I N2 O2 -","1","0.5","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0247","0.0232","","","0.0558","0.0563","","","","","","1.051","","","","has coordinates,has disorder","301780","2025-08-18","21:43:36",""
"1556788","10.7653","0.0005","7.3634","0.0004","11.4066","0.0006","90","","109.025","0.002","90","","854.8","0.08","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","SD—A-1–5 4-iodobenzoic acid, 1,2-bis(4-pyridyl)ethane","","- C19 H17 I N2 O2 -","- C19 H17 I N2 O2 -","- C38 H34 I2 N4 O4 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0703","0.0577","","","0.1428","0.1498","","","","","","1.117","","","","has coordinates,has disorder","301780","2025-08-18","21:43:36",""
"1556789","4.4175","0.0004","12.5878","0.0013","13.4274","0.0014","80.827","0.004","82.672","0.003","87.809","0.004","730.96","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","SD-1–20-12–7 4-Br—F4-PhOH, 2,3,5,6-Me4-pyrazine","","- C14 H13 Br F4 N2 O -","- C14 H13 Br F4 N2 O -","- C28 H26 Br2 F8 N4 O2 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0681","0.0504","","","0.1241","0.137","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556790","4.8727","0.0003","10.7621","0.0007","16.595","0.001","87.808","0.002","85.332","0.002","83.646","0.002","861.66","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","SD-1–22-2–5 4-Br—F4-PhCOOH, 1,2-bis(4-pyridyl)ethane","","- C19 H13 Br F4 N2 O2 -","- C19 H13 Br F4 N2 O2 -","- C38 H26 Br2 F8 N4 O4 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0414","0.0332","","","0.0772","0.082","","","","","","1.044","","","","has coordinates,has disorder","301780","2025-08-18","21:43:36",""
"1556791","4.1573","0.0002","14.8817","0.0008","26.2084","0.0013","90","","91.345","0.001","90","","1621.01","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SD-1–20-9–7 4-I—F4-PhCH=NOH, Me4-pyrazine","","- C15 H14 F4 I N3 O -","- C15 H14 F4 I N3 O -","- C60 H56 F16 I4 N12 O4 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.029","0.0263","","","0.0689","0.0699","","","","","","1.227","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556792","6.2801","0.0009","11.2226","0.0015","26.846","0.004","90","","95.661","0.004","90","","1882.9","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CS—AS-9–11 4-I—F4-PhCHO oxime, 1,2-bis(4-pyridyl)ethane","","- C19 H14 F4 I N3 O -","- C19 H14 F4 I N3 O -","- C76 H56 F16 I4 N12 O4 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0383","0.0287","","","0.0731","0.0787","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556793","17.5616","0.001","14.8078","0.0009","6.1199","0.0003","90","","90","","90","","1591.47","0.15","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","SD-1–8-1–7 4-I—F4-PhCOOH, 2,3,5,6-Me4-pyrazine","","- C15 H13 F4 I N2 O2 -","- C15 H13 F4 I N2 O2 -","- C60 H52 F16 I4 N8 O8 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0727","0.0508","","","0.1326","0.1539","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556794","12.1699","0.0006","11.1933","0.0006","12.2448","0.0006","90","","104.562","0.002","90","","1614.42","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SD—A-5–6 4-I—F4-PhCOOH, 4,4'-bipyridyl","","- C17 H9 F4 I N2 O2 -","- C17 H9 F4 I N2 O2 -","- C68 H36 F16 I4 N8 O8 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0256","0.0221","","","0.0561","0.0587","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556795","7.1108","0.0004","7.4624","0.0004","11.2299","0.0006","93.434","0.002","94.022","0.002","103.373","0.002","576.53","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","SD-1–27-6–5 1,2-bis(4-pyridyl)ethane, (4-Br-PhCOOH)2","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","1","0.5","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0529","0.0388","","","0.0986","0.1065","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556796","11.0467","0.0006","28.9658","0.0018","10.7956","0.0007","90","","110.603","0.002","90","","3233.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CS—AL-6–12 4,4'-bipyridyl, (4-Br-PhCOOH)2","","- C24 H18 Br2 N2 O4 -","- C24 H18 Br2 N2 O4 -","- C144 H108 Br12 N12 O24 -","6","1.5","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.1333","0.0603","","","0.1319","0.1604","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556797","5.837","0.0003","12.8464","0.0005","18.1146","0.0008","103.537","0.002","96.861","0.002","93.06","0.002","1306.46","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","SD-1–20-10–8 (4-Br—F4-PhCH=NOH,)2 1,2-bis(4-pyridyl)ethylene","","- C26 H14 Br2 F8 N4 O2 -","- C26 H14 Br2 F8 N4 O2 -","- C52 H28 Br4 F16 N8 O4 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","1.54178","CuKα","","0.0339","0.0306","","","0.0984","0.1037","","","","","","0.862","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556798","13.6342","0.0015","5.8333","0.0006","13.3118","0.0014","90","","90.944","0.007","90","","1058.58","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SD-1–20-12–6 (4-Br—F4-PhOH)2, 4,4-bipyridyl","","- C22 H10 Br2 F8 N2 O2 -","- C22 H10 Br2 F8 N2 O2 -","- C44 H20 Br4 F16 N4 O4 -","2","0.5","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.074","0.0441","","","0.1007","0.113","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556799","25.9125","0.0016","4.6925","0.0003","20.0909","0.0012","90","","103.464","0.003","90","","2375.8","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","SD-1–20-12–5, 4-Br—F4-PhOH, 1,2-bis(4-pyridyl)ethane","","- C24 H14 Br2 F8 N2 O2 -","- C24 H14 Br2 F8 N2 O2 -","- C96 H56 Br8 F32 N8 O8 -","4","0.5","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0591","0.0385","","","0.0989","0.1085","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556800","11.701","0.002","4.6121","0.0009","21.594","0.004","90","","103.591","0.006","90","","1132.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CS—AP-11–16 pyrazine 1-oxide, 4-I—F4-PhOH","","- C10 H5 F4 I N2 O2 -","- C10 H5 F4 I N2 O2 -","- C40 H20 F16 I4 N8 O8 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0287","0.0238","","","0.0596","0.0625","","","","","","1.009","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556801","12.7258","0.0015","4.9322","0.0006","20.729","0.002","90","","106.074","0.003","90","","1250.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CS—AP-11–2 4-I—F4-PhOH, isonicotinonitrile","","- C12 H5 F4 I N2 O -","- C12 H5 F4 I N2 O -","- C48 H20 F16 I4 N8 O4 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0354","0.0317","","","0.083","0.087","","","","","","1.098","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556802","4.2485","0.0003","11.6204","0.0008","13.8288","0.001","110.206","0.002","95.97","0.001","98.531","0.001","624.68","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","SD-1–8-1–10 4-I—F4-PhCOOH, pyrazine 1-oxide","","- C11 H5 F4 I N2 O3 -","- C11 H5 F4 I N2 O3 -","- C22 H10 F8 I2 N4 O6 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0186","0.0181","","","0.0469","0.0472","","","","","","1.05","","","","has coordinates,has disorder","301780","2025-08-18","21:43:36",""
"1556803","7.4234","0.0003","35.8851","0.0018","10.0949","0.0005","90","","101.028","0.002","90","","2639.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SD—A-5–1 4-I—F4-PhCOOH, isonicotinonitrile","","- C13 H5 F4 I N2 O2 -","- C13 H5 F4 I N2 O2 -","- C104 H40 F32 I8 N16 O16 -","8","2","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0685","0.0476","","","0.1105","0.1224","","","","","","1.059","","","","has coordinates,has disorder","301780","2025-08-18","21:43:36",""
"1556804","7.363","0.0012","7.48","0.0012","12.446","0.002","80.617","0.008","84.893","0.007","62.018","0.005","597.17","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","CS—AL-6–2 4-Br-PhCOOH, isonicotinonitrile","","- C13 H9 Br N2 O2 -","- C13 H9 Br N2 O2 -","- C26 H18 Br2 N4 O4 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0635","0.0499","","","0.1258","0.1351","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556805","12.2763","0.0019","5.0037","0.0008","20.666","0.003","90","","106.425","0.004","90","","1217.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CS—AQ-12–2 4-Br—F4-PhOH, isonicotinonitrile","","- C12 H5 Br F4 N2 O -","- C12 H5 Br F4 N2 O -","- C48 H20 Br4 F16 N8 O4 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0532","0.0423","","","0.108","0.1149","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556806","26.7965","0.0005","7.1599","0.0001","14.1519","0.0003","90","","90","","90","","2715.19","0.09","20","2","20","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt","Quantitative analysis of intermolecular interactions in orthorhombic rubrene.","IUCrJ","2015","2","Pt 5","563","574","10.1107/S2052252515012130","","","0.35312","Synchrotron,monochromatic","","0.049","0.02","","","","0.039","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556807","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt","Quantitative analysis of intermolecular interactions in orthorhombic rubrene.","IUCrJ","2015","2","Pt 5","563","574","10.1107/S2052252515012130","","","0.7107","MoKα","","0.041","0.022","","","","0.055","","","","","","1.502","","","","has coordinates","246059","2020-10-21","18:00:00",""
"1556848","14.4124","0.0007","14.9172","0.0006","15.1412","0.0006","90","","100.377","0.001","90","","3202","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C16 H20 N2 O2 S -","- C16 H20 N2 O2 S -","- C128 H160 N16 O16 S8 -","8","2","HB4170","R, Shashi; Begum, Noor Shahina","Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","IUCrData","2017","2","10","x171440","","10.1107/S2414314617014407","","","0.71073","MoKα","","0.0767","0.0494","","","0.1235","0.1464","","","","","","0.782","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:36",""
"1557221","32.77108","0.00017","30.00687","0.00016","40.3365","0.0002","90","","96.1279","0.0005","90","","39438.6","0.4","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C398.15 H435.65 B16 Co8 F64 N74.85 O39.35 -","- C361.56 H279.04 B9 Co8 F33 N72 O5.68 -","- C1446.24 H1116.16 B36 Co32 F132 N288 O22.72 -","4","0.5","","Mozaceanu,; Taylor,; Piper,; Argent,; Ward,","Catalysis of an Aldol Condensation Using a Coordination Cage","Chemistry","2020","2","1","22","32","10.3390/chemistry2010004","","","0.6889","Synchrotron","","0.1117","0.0651","","","0.2094","0.2292","","","","","","0.957","","","","has coordinates,has disorder","258178","2020-10-21","18:00:00",""
"1557471","6.6586","0.0007","12.8635","0.0014","17.4187","0.0019","90","","99.657","0.003","90","","1470.8","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl6 Cu3 N16 O2 S4 -","- C10 H20 Cl6 Cu3 N16 O2 S4 -","- C20 H40 Cl12 Cu6 N32 O4 S8 -","2","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0677","0.0494","","","0.1078","0.113","","","","","","1.143","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557472","6.7181","0.0005","12.9961","0.0009","12.9971","0.0009","64.067","0.002","79.492","0.002","82.134","0.002","1001.29","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H32 Cl6 Cu3 N20 O2 S4 -","- C18 H32 Cl6 Cu3 N20 O2 S4 -","- C18 H32 Cl6 Cu3 N20 O2 S4 -","1","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0247","0.0209","","","0.0502","0.0514","","","","","","1.08","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557473","10.1237","0.0005","9.5414","0.0005","14.4784","0.0008","90","","93.65","0.002","90","","1395.69","0.13","100.01","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl4 Cu4 N16 S4 -","- C12 H20 Cl4 Cu4 N16 S4 -","- C24 H40 Cl8 Cu8 N32 S8 -","2","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0253","0.0212","","","0.0467","0.048","","","","","","1.081","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557474","20.3164","0.0018","6.5444","0.0006","12.8543","0.0011","90","","109.493","0.003","90","","1611.1","0.2","100.03","","100.03","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Cl2 Cu N4 S -","- C3 H5 Cl2 Cu N4 S -","- C24 H40 Cl16 Cu8 N32 S8 -","8","1","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0222","0.0196","","","0.0453","0.0461","","","","","","1.166","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557642","22.502","0.009","12.689","0.005","12.952","0.005","90","","90","","90","","3698","3","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","chloroquine","","","- C18 H26 Cl N3 -","- C18 H26 Cl N3 -","- C144 H208 Cl8 N24 -","8","1","","C. Courseille; B. Busetta; M. Hospital","7-CHLORO-4(4-DIETHYLAMINO-1-METHYLBUTYL-AMINO) QUINOLINE, C18H26CLN3 (CHLOROQUINE BASE)","Crystal Structure Communications","1973","2","","283","286","","","","","","","","0.093","","","","","","","","","","","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558001","16.144","0.016","19.437","0.019","22.33","0.02","110.119","0.015","104.06","0.02","90.752","0.015","6346","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C204 H288 Cl2 Mn12 N10 O40 -","- C204 H270 Cl2 Mn12 N10 O40 -","- C204 H270 Cl2 Mn12 N10 O40 -","1","0.5","","Coletta, Marco; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J.","A Brucite-Like Mixed-Valent Cluster Capped by [MnIIIp-tBu-calix[4]arene]− Moieties","Chemistry","2020","2","2","253","261","10.3390/chemistry2020016","","","0.71073","MoKα","","0.0719","0.0564","","","0.1696","0.181","","","","","","1.092","","","","has coordinates,has disorder","258181","2020-10-21","18:00:00",""
"1558494","33.04569","0.00013","30.13654","0.00016","39.97965","0.00019","90","","96.4337","0.0004","90","","39564.3","0.3","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C376 H392 B16 Co8 F64 N72 O33 -","- C351 H287 B14.5 Co8 F58 N72 O8 -","- C1404 H1148 B58 Co32 F232 N288 O32 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.0971","0.0719","","","0.2392","0.2596","","","","","","1.079","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558495","32.8649","0.0002","29.89225","0.00018","40.5389","0.0004","90","","95.9164","0.0007","90","","39613.5","0.5","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C395.5 H411 B16 Co8 F64 N72 O35 -","- C367.428 H298.92 B14.338 Co8 F54.352 N72 O6.984 -","- C1469.71 H1195.68 B57.352 Co32 F217.408 N288 O27.936 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1351","0.0853","","","0.2817","0.3169","","","","","","1.065","","","","has coordinates","258182","2020-10-21","18:00:00",""
"1558496","32.81236","0.00007","30.21497","0.00006","40.09564","0.00008","90","","96.3312","0.00019","90","","39509.4","0.14","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C380.04 H422.24 B16 Co8 F64 N73.12 O38.44 S1.12 -","- C343.984 H278.215 B16 Co8 F61 N73.1076 O2.4462 S1.1076 -","- C1375.94 H1112.86 B64 Co32 F244 N292.43 O9.7848 S4.4304 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.0926","0.0672","","","0.2167","0.2358","","","","","","1.098","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558497","32.8588","0.00017","30.06718","0.00013","40.1053","0.0002","90","","96.0585","0.0005","90","","39401.6","0.3","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C377 H416 B16 Cl2 Co8 F64 N72 O39 -","- C339 H262 B9.17 Cl2 Co8 F33.68 N72 O -","- C1356 H1048 B36.68 Cl8 Co32 F134.72 N288 O4 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1176","0.0827","","","0.2785","0.3038","","","","","","1.091","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558498","32.56923","0.0001","30.16165","0.0001","40.83634","0.00017","90","","95.9061","0.0003","90","","39902.3","0.2","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C407.8 H417.66 B16 Co8 F64 N72 O31.03 -","- C376.05 H308.5 B14.4526 Co8 F54.8104 N72 O5.28 -","- C1504.2 H1234 B57.8104 Co32 F219.242 N288 O21.12 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1201","0.0827","","","0.2704","0.2981","","","","","","1.083","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1559271","35.83","0.002","14.292","0.009","11.057","0.006","90","","90","","90","","5662","5","194","2","194","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)","","- C25 H29 Cl3 N4 Si Zr -","- C25 H29 Cl3 N4 Si Zr -","- C200 H232 Cl24 N32 Si8 Zr8 -","8","2","ZQ4018","Li, Wei; Bai, Shengdi; Su, Feng; Duan, Xine; Liu, Diansheng","[<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)","IUCrData","2017","2","3","x170380","","10.1107/S2414314617003807","","","0.71073","MoKα","","0.1377","0.0662","","","0.1429","0.1937","","","","","","1.004","","","","has coordinates,has Fobs","257225","2020-10-21","18:00:00",""
"1559274","26.8903","0.0012","26.8903","0.0012","26.8903","0.0012","90","","90","","90","","19444.1","1.5","100","2","99.99","","","","","","","","","3","F m -3 m","-F 4 2 3","225","UiO-67-Me~2~","","","- C96 O40 Zr6 -","- C96 O40 Zr6 -","- C384 O160 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Lillerud, Karl","Twinning in Zr-Based Metal-Organic Framework Crystals","Chemistry","2020","2","3","777","786","10.3390/chemistry2030050","","x-ray","0.71073","MoKα","","0.0531","0.0479","","","0.1686","0.1743","","","","","","1.127","","","","has coordinates","258172","2020-10-21","18:00:00",""
"1559830","11.3377","0.0003","6.6047","0.0002","10.713","0.0003","90","","117.072","0.001","90","","714.32","0.04","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B2 K2 O7 Pr2 -","- B2 K2 O7 Pr2 -","- B8 K8 O28 Pr8 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M.","Synthesis and characterization of K2Pr2O(BO3)2: structural, spectroscopic and thermogravimetric investigations of a novel potassium praseodymium oxoborate structure-type","SN Applied Sciences","2020","2","4","747","","10.1007/s42452-020-2553-2","","","0.71073","MoKα","","0.0566","0.0318","","","0.0401","0.0438","","","","","","1.043","","","","has coordinates","260041","2020-12-21","16:12:51",""
"1564482","5.802","0.011","2.905","0.009","8.411","0.016","90","","90","","90","","141.8","0.6","","","298","","","","100","","","","","4","P m m a","-P 2a 2a","51","(Mg1.96Fe0.04)SiO4","","poirierite","- Fe0.04 Mg1.96 O4 Si -","- Fe0.04 Mg1.96 O4 Si -","- Fe0.08 Mg3.92 O8 Si2 -","2","0.25","","Tomioka, N.; Bindi, L.; Okuchi, T.; Miyahara, M.; Iitaka, T.; Li, Z.; Kawatsu, T.; Xie, X.; Purevjav, N.; Tani, R.; Kodama, Y.","Poirierite, a dense metastable polymorph of magnesium iron silicate in shocked meteorites","Communications Earth and Environment","2021","2","","1","8","10.1038/s43247-020-00090-7","","","","","","","","","","","","","","","","","","","","","has coordinates","268324","2021-08-31","08:53:12",""
"1568386","9.5862","0.0004","3.84427","0.0001","14.3959","0.0005","90","","90","","90","","530.52","0.03","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Se3 Sn Zr -","- Se3 Sn Zr -","- Se12 Sn4 Zr4 -","4","0.5","","Kondrotas, Rokas; Juskenas, Remigijus; Krotkus, Arunas; Pakstas, Vidas; Suchodolskis, Arturas; Mekys, Algirdas; Franckevicius, Marius; Talaikis, Martynas; Muska, Katri; Li, Xiaofeng; Kauk-Kuusik Marit; Kravtsov Victor","Synthesis and physical characteristics of narrow bandgap chalcogenide SnZrSe3","Open Research Europe","2023","2","138","1","12","10.12688/openreseurope.15168.1","","","0.71073","MoKα","","0.0214","0.02","","","0.0506","0.0514","","","","","","1.002","","","","has coordinates","280831","2023-02-08","14:45:15",""
"2000018","10.1922","0.0011","14.2843","0.0015","23.164","0.002","99.197","0.003","93.272","0.003","102.595","0.003","3234.12","","","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C124 H120 Ag4 F12 N4 O12 S16 -","- C134 H108 Ag8 F18 N4 O18 S20 -","- C134 H108 Ag8 F18 N4 O18 S20 -","1","0.5","","Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki","Packing Principles of Thioether Derivatives of Triarylamine Silver Salts","Crystal Growth & Design","2002","2","2","101","105","10.1021/cg010030t","","","","","","","0.0501","","","0.0501","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000019","11.033","0.004","12.524","0.004","13.345","0.004","70.404","0.008","87.048","0.008","79.495","0.008","1707.96","","","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H45 Ag Cl N O7 S3 -","- C31 H37 Ag3 Cl N O7 S5 -","- C62 H74 Ag6 Cl2 N2 O14 S10 -","2","1","","Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki","Packing Principles of Thioether Derivatives of Triarylamine Silver Salts","Crystal Growth & Design","2002","2","2","101","105","10.1021/cg010030t","","","","","","","0.0599","","","0.0599","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000020","15.7848","0.0006","15.8557","0.0006","19.2559","0.0007","96.079","0.001","105.808","0.001","118.42","0.001","3917.05","","","","173","","","","","","","","","8","P -1","-P 1","2","","","","?","- C68 H63 Ag5 Cl4 F12 N3 S13 Sb2 -","- C136 H126 Ag10 Cl8 F24 N6 S26 Sb4 -","2","1","","Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki","Packing Principles of Thioether Derivatives of Triarylamine Silver Salts","Crystal Growth & Design","2002","2","2","101","105","10.1021/cg010030t","","","","","","","0.0875","","","0.0875","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:42",""
"2300378","4.1526","","4.1526","","4.1526","","90","","90","","90","","71.608","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ag3 Mg -","- Ag3 Mg -","- Ag3 Mg -","1","0.00520833","","Laine, E.; Tarne, T.; Haemaelaeinen, M.","Thermal expansion of the Ag3 Mg alloy in the ordered and disordered states","Journal of Applied Crystallography","1969","2","","95","101","10.1107/S0021889869006650","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310012","4.28","","4.28","","7.41","","90","","90","","90","","135.739","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Actinium oxide bromide","","- Ac Br O -","- Ac Br O -","- Ac2 Br2 O2 -","2","0.125","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. XII. New compounds representing known structure types","Acta Crystallographica (1,1948-23,1967)","1949","2","","388","390","10.1107/S0365110X49001016","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310014","4.25","","4.25","","7.08","","90","","90","","90","","127.883","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Actinium oxide chloride","","- Ac Cl O -","- Ac Cl O -","- Ac2 Cl2 O2 -","2","0.125","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. XII. New compounds representing known structure types","Acta Crystallographica (1,1948-23,1967)","1949","2","","388","390","10.1107/S0365110X49001016","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310016","5.943","","5.943","","5.943","","90","","90","","90","","209.902","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Actinium oxide fluoride","","- Ac F O -","- Ac F O -","- Ac4 F4 O4 -","4","0.0208333","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements XII. New compounds representing known structure types","Acta Crystallographica (1,1948-23,1967)","1949","2","","388","390","10.1107/S0365110X49001016","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310017","8.99","","8.99","","8.99","","90","","90","","90","","726.573","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Actinium sulfide (10.67/16)","","- Ac10.666 S15.999 -","- Ac10.668 S16 -","- Ac10.668 S16 -","1","0.0208333","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. VI. The Ce2 S3 - Ce3 S4 type of structure","Acta Crystallographica (1,1948-23,1967)","1949","2","","57","60","10.1107/S0365110X49000126","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310018","4.08","","4.08","","6.3","","90","","90","","120","","90.822","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Actinium oxide","","- Ac2 O3 -","- Ac2 O3 -","- Ac2 O3 -","1","0.0833333","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. XII. New compounds representing known structure types","Acta Crystallographica (1,1948-23,1967)","1949","2","","388","390","10.1107/S0365110X49001016","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310063","13.19","","13.74","","4.57","","90","","90","","90","","828.224","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 Ag Cl3","","- Ag Cl3 Cs2 -","- Ag Cl3 Cs2 -","- Ag4 Cl12 Cs8 -","4","0.5","","Brink, C.","The Crystal Structure of K2 Cu Cl3 and Isomorphous Substances","Acta Crystallographica (1,1948-23,1967)","1949","2","","158","163","10.1107/S0365110X49000436","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310064","14.39","","15.16","","5.02","","90","","90","","90","","1095.12","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 Ag I3","","- Ag Cs2 I3 -","- Ag Cs2 I3 -","- Ag4 Cs8 I12 -","4","0.5","","Brink, C.","The Crystal Structure of K2 Cu Cl3 and Isomorphous Substances","Acta Crystallographica (1,1948-23,1967)","1949","2","","158","163","10.1107/S0365110X49000436","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310849","9.89","","17.95","","5.31","","90","","72.5","","90","","899.031","","","","","","","","","","","","","9","I 1 2/m 1","-I 2y","12","","(Na1.38 K0.13 Ca0.17 Mg0.25) (Mg2.81 Fe1.66 Fe0.48 Al0.05) (Si7.94 Al0.06) O22 (O H)2","","- Al0.11 Ca0.17 Fe2.14 H2 K0.13 Mg3.06 Na1.38 O24 Si7.94 -","- Al0.096 Ca0.17 Fe2.14 K0.13 Mg3.07 Na1.38 O24 Si7.944 -","- Al0.192 Ca0.34 Fe4.28 K0.26 Mg6.14 Na2.76 O48 Si15.888 -","2","0.25","","Whittaker, E. J. W.","The structure of bolivian crocidolite","Acta Crystallographica","1949","2","5","312","317","10.1107/s0365110x49000801","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310959","4.99","","4.99","","3.23","","90","","90","","120","","69.652","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Hg2 U -","- Hg2 U -","- Hg2 U -","1","0.0416667","","Rundle, R. E.; Wilson, A. S.","The structures of some metal compounds of uranium","Acta Crystallographica","1949","2","3","148","150","10.1107/s0365110x49000400","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310990","3.927","","3.927","","6.789","","90","","90","","120","","97.293","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pu2 O2 S","","- O2 Pu2 S -","- O2 Pu2 S -","- O2 Pu2 S -","1","0.0833333","","Zachariasen, W. H.","Crystal chemical studies of the 5f-series of elements. VII. The crystal structure of Ce~2~O~2~S, La~2~O~2~S and Pu~2~O~2~S","Acta Crystallographica","1949","2","1","60","62","10.1107/S0365110X49000138","","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","181984","2020-10-21","18:00:00",""
"2310991","10.411","","10.651","","3.888","","90","","90","","90","","431.131","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Th2 S3","","- S3 Th2 -","- S3 Th2 -","- S12 Th8 -","4","0.5","","Zachariasen, W. H.","Crystal chemical studies of the 5f-series of elements. X. Sulfides and oxy-sulfides","Acta Crystallographica","1949","2","5","291","296","10.1107/s0365110x49000758","","","","","","","","","","","","","","","","","","","","","has coordinates","181515","2020-10-21","18:00:00",""
"2310992","10.99","","3.96","","10.85","","90","","90","","90","","472.196","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Th2 S3","","- S3 Th2 -","- S3 Th2 -","- S12 Th8 -","4","0.5","","Zachariasen, W. H.","Crystal chemical studies of the 5f-series of elements. X. Sulfides and oxy-sulfides","Acta Crystallographica","1949","2","5","291","296","10.1107/s0365110x49000758","","","","","","","","","","","","","","","","","","","","","has coordinates","181516","2020-10-21","18:00:00",""
"2310993","10.41","","3.89","","10.65","","90","","90","","90","","431.271","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","U2 S3","","- S3 U2 -","- S3 U2 -","- S12 U8 -","4","0.5","","Zachariasen, W. H.","Crystal chemical studies of the 5f-series of elements. X. Sulfides and oxy-sulfides","Acta Crystallographica","1949","2","5","291","296","10.1107/s0365110x49000758","","","","","","","","","","","","","","","","","","","","","has coordinates","181516","2020-10-21","18:00:00",""
"2311000","10.395","","10.395","","10.395","","90","","90","","90","","1123.24","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 Th -","- Be13 Th -","- Be104 Th8 -","8","0.0416667","","Baenziger, N.C.; Rundle, R.E.","The M Be13 compounds","Acta Crystallographica (1,1948-23,1967)","1949","2","","258","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311001","10.256","","10.256","","10.256","","90","","90","","90","","1078.78","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 U -","- Be13 U -","- Be104 U8 -","8","0.0416667","","Baenziger, N.C.; Rundle, R.E.","The M Be13 compounds","Acta Crystallographica (1,1948-23,1967)","1949","2","","258","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311069","8.473","","8.473","","7.468","","90","","90","","90","","536.141","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Th Cl4","","- Cl4 Th -","- Cl4 Th -","- Cl16 Th4 -","4","0.125","","Mooney, R.C.L.","The crystal structure of Th Cl4 and U Cl4","Acta Crystallographica (1,1948-23,1967)","1949","2","","189","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311070","8.296","","8.296","","7.487","","90","","90","","90","","515.282","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","U Cl4","","- Cl4 U -","- Cl4 U -","- Cl16 U4 -","4","0.125","","Mooney, R.C.L.","The crystal structure of Th Cl4 and U Cl4","Acta Crystallographica (1,1948-23,1967)","1949","2","","189","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002072","28.5","0.03","7.18","0.02","9.42","0.02","90","","97.1","0.2","90","","1913","7","","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H7 O5 P V -","- C6 H5 O5 P V -","- C48 H40 O40 P8 V8 -","8","1","","Huan, Guohe; Jacobson, Allan J.; Johnson, Jack W.; Corcoran, Edward W.","Hydrothermal synthesis and single-crystal structural characterization of the layered vanadium(IV) phosphate VOC6H5PO3.cntdot.H2O","Chemistry of Materials","1990","2","2","91","","10.1021/cm00008a002","","","0.71069","MoKα","","0.091","","","0.109","","","","0.078","3.03","","","","","","","has coordinates,has Fobs","192838","2020-10-21","18:00:00",""
"4002355","11.066","","11.066","","5.535","","90","","90","","90","","677.796","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","(Fe0.9 Sb1.1) Sb4 Zr10","","- Fe0.9 Sb5.1 Zr10 -","- Fe0.9 Sb5.06 Zr9.968 -","- Fe1.8 Sb10.12 Zr19.936 -","2","0.0625","","Kwon Young-Uk; Sevov, S.C.; Corbett, J.D.","Substituted W5 Si3- and Zr6 Al2 Co-phases formed in the zirconium-antimony and zirconium-tin systems with iron group metals","Chemistry of Materials (1,1989-)","1990","2","","550","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","149414","2020-10-21","18:00:00",""
"4002356","11.1763","","11.1763","","5.4794","","90","","90","","90","","684.43","","","","","","","","","","","","","3","I 4 2 2","I 4 2","97","","(Fe0.237 Sn0.77)3 Zr5","","- Fe0.711 Sn2.31 Zr5 -","- Fe0.715 Sn2.303 Zr5 -","- Fe2.86 Sn9.212 Zr20 -","4","0.25","","Kwon Young-Uk; Sevov, S.C.; Corbett, J.D.","Substituted W5 Si3- and Zr6 Al2 Co-phases formed in the zirconium-antimony and zirconium-tin systems with iron group metals","Chemistry of Materials (1,1989-)","1990","2","","550","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","149415","2020-10-21","18:00:00",""
"4031639","4.991","","4.991","","4.991","","97.18","","97.18","","97.18","","121.129","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","K (Os F6)","","- F6 K Os -","- F6 K Os -","- F6 K Os -","1","0.166667","","Hepworth, M.A.; Jack, K.H.; Westland, G.J.","Structures of complex fluorides - I. Potassium hexafluoroosmate(V), K Os F6","Journal of Inorganic and Nuclear Chemistry","1956","2","","79","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086312","29.11","","8.491","","16.61","","90","","104.93","","90","","3966.95","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Os4 (C O)12 (S)","","- C12 O12 Os4 S -","- C12 O12 Os4 S -","- C96 O96 Os32 S8 -","8","1","","Adams, R.D.; Foust, D.F.; Mathur, P.","Cluster Synthesis. 3. The Role of Sulfido Ligands in the Synthesis of High Nuclearity Metal Carbonyl Cluster Compounds. The Crystal and Molecular Structures of Os4 (C O)12 (mue 3-S) and Os7 (C O)19 (mue 4-S)","Organometallics","1983","2","","990","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086313","10.107","","11.569","","12.791","","90","","90.38","","90","","1495.59","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Os7 (C O)19 (S)","","- C19 O19 Os7 S -","- C19 O19 Os7 S -","- C38 O38 Os14 S2 -","2","1","","Adams, R.D.; Foust, D.F.; Mathur, P.","Cluster Synthesis. 3. The Role of Sulfido Ligands in the Synthesis of High Nuclearity Metal Carbonyl Cluster Compounds. The Crystal and Molecular Structures of Os4 (C O)12 (mue 3-S) and Os7 (C O)19 (mue 4-S)","Organometallics","1983","2","","990","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086314","11.205","","14.461","","21.246","","90","","90","","90","","3442.61","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Os7 (C O)20 (S)2","","- C20 O20 Os7 S2 -","- C20 O20 Os7 S2 -","- C80 O80 Os28 S8 -","4","1","","Adams, R.D.; Horvath, I.T.; Mathur, P.; Segmueller, B.E.; Yang, L.W.","4. The Role of Sulfido Ligands in the Synthesis of High Nuclearity Metal Carbonyl Cluster Compounds. The Synthesis of Os4(CO)13(mue 3-S)2 and Os7(CO)20(mue 4-S)2 and the ...structure of Os7 (CO)20(mue 4-S)2","Organometallics","1983","2","","1078","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","161230","2020-10-21","18:00:00",""
"4086315","9.608","","15.402","","15.703","","113.29","","99.04","","95.52","","2075.55","","","","","","","","","","","","","4","P -1","-P 1","2","","Os4 (C O)13 S","","- C13 O13 Os4 S -","- C13 O13 Os4 S -","- C52 O52 Os16 S4 -","4","2","","Adams, R.D.; Segmueller, B.E.; Horvath, I.T.; Yang, L.-W.","... Thermolysis of H Os3 (C O)10 (mue-S C6 H5) under C O pressure. The synthesis and crystal and molecular structures of Os4 (C O)13 (mue3-S) and Os5 (C O)15 (mue4-S)","Organometallics","1983","2","","1301","1308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086316","19.119","","7.724","","16.417","","90","","90","","90","","2424.38","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Os5 (C O)15 S","","- C15 O15 Os5 S -","- C15 O15 Os5 S -","- C60 O60 Os20 S4 -","4","1","","Adams, R.D.; Segmueller, B.E.; Horvath, I.T.; Yang, L.-W.","... Thermolysis of H Os3 (C O)10 (mue-S C6 H5) under C O pressure. The synthesis and crystal and molecular structures of Os4 (C O)13 (mue3-S) and Os5 (C O)15 (mue4-S)","Organometallics","1983","2","","1301","1308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343664","23.057","","15.04","","8.761","","90","","90","","90","","3038.12","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","(Bi9)4 (Bi Cl5)8 (Bi2 Cl8)2","","- Bi48 Cl56 -","- Bi48 Cl56 -","- Bi48 Cl56 -","1","0.125","","Hershaft, Alex; Corbett, John D.","The Crystal Structure of Bismuth Subchloride. Identification of the Ion Bi~9~^5+^","Inorganic Chemistry","1963","2","5","979","985","10.1021/ic50009a025","","","","","","","","","","","","","","","","","","","","","has coordinates","210058","2020-10-21","18:00:00",""
"4348273","8.0036","0.0003","8.7265","0.0003","18.6255","0.0007","76.921","0.003","85.191","0.003","74.312","0.003","1219.56","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 Cl2 N O Ru -","- C12 H13 Cl2 N O Ru -","- C48 H52 Cl8 N4 O4 Ru4 -","4","2","","Tyagi, Deepika; Rai, Rohit K.; Dwivedi, Ambikesh D.; Mobin, Shaikh M.; Singh, Sanjay K.","Phosphine-free ruthenium-arene complex for low temperature one-pot catalytic conversion of aldehydes to primary amides in water","Inorganic Chemistry Frontiers","2015","2","2","116","","10.1039/C4QI00115J","","","0.71073","MoKα","","0.11","0.0829","","","0.2091","0.2353","","","","","","1.047","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4348287","7.4845","0.0015","18.648","0.004","11.768","0.002","90","","90.46","0.03","90","","1642.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N6 O9 -","- C12 H14 N6 O9 -","- C48 H56 N24 O36 -","4","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.1196","0.065","","","0.141","0.1657","","","","","","1.025","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348288","14.716","0.003","17.249","0.003","10.967","0.002","90","","94.24","0.03","90","","2776.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N4 O5 P -","- C12 H11 N4 O5 P -","- C96 H88 N32 O40 P8 -","8","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.1184","0.0587","","","0.1412","0.1673","","","","","","1.038","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348289","10.637","0.002","13.967","0.003","21.237","0.004","82.92","0.03","76.08","0.03","69.64","0.03","2868.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 I11 N12 O5 -","- C36 H33 I11 N12 O5 -","- C72 H66 I22 N24 O10 -","2","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.1064","0.053","","","0.0872","0.1059","","","","","","1.025","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348290","10.491","0.002","10.784","0.002","14.359","0.003","73.3","0.03","76.73","0.03","80.13","0.03","1504.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 F12 N8 O3 P2 -","- C24 H20 F12 N8 O3 P2 -","- C48 H40 F24 N16 O6 P4 -","2","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.1169","0.077","","","0.2014","0.2344","","","","","","1.037","","","","has coordinates,has disorder","232864","2020-10-21","18:00:00",""
"4348291","5.403","0.0011","19.358","0.004","16.265","0.003","90","","95.94","0.03","90","","1692","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 B2 F8 N4 O2 -","- C12 H12 B2 F8 N4 O2 -","- C48 H48 B8 F32 N16 O8 -","4","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.2162","0.0915","","","0.2035","0.2614","","","","","","1.03","","","","has coordinates,has disorder","232864","2020-10-21","18:00:00",""
"4348292","8.4767","0.0017","8.9502","0.0018","9.2925","0.0019","80.43","0.03","78.98","0.03","80.97","0.03","676.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 B F4 N4 O -","- C12 H9 B F4 N4 O -","- C24 H18 B2 F8 N8 O2 -","2","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.0923","0.0653","","","0.1845","0.2059","","","","","","1.046","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348293","7.2667","0.0015","13.421","0.003","14.883","0.003","90","","104.05","0.03","90","","1408.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N4 O6 S -","- C12 H12 N4 O6 S -","- C48 H48 N16 O24 S4 -","4","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.0472","0.0386","","","0.1021","0.1066","","","","","","1.105","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348294","8.123","0.003","29.002","0.009","28.873","0.014","90","","93.922","0.016","90","","6786","5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","P6_LT","","","- C45 H43 Cl4 N18 O3 Pd2 S7.5 -","- C45 H43 Cl4 N18 O3 Pd2 S7.5 -","- C180 H172 Cl16 N72 O12 Pd8 S30 -","4","1","","Matesanz, A. I.; Albacete, P.; Perles, J.; Souza, P.","A structural and biological study on the new 3,5-diacetyl-1,2,4-triazol bis(p-chlorophenylthiosemicarbazone) ligand and its bimetallic complexes","Inorganic Chemistry Frontiers","2015","2","1","75","","10.1039/C4QI00128A","","","0.71073","","","0.1465","0.1178","","","0.3175","0.3451","","","","","","1.028","","","","has coordinates,has disorder","232865","2020-10-21","18:00:00",""
"4348295","14.6278","0.0002","15.606","0.0002","15.6896","0.0003","66.436","0.001","81.756","0.001","68.305","0.001","3050.39","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","P2","","","- C46 H50 Cl4 N18 O3 Pt2 S7 -","- C46 H50 Cl4 N18 O3 Pt2 S7 -","- C92 H100 Cl8 N36 O6 Pt4 S14 -","2","1","","Matesanz, A. I.; Albacete, P.; Perles, J.; Souza, P.","A structural and biological study on the new 3,5-diacetyl-1,2,4-triazol bis(p-chlorophenylthiosemicarbazone) ligand and its bimetallic complexes","Inorganic Chemistry Frontiers","2015","2","1","75","","10.1039/C4QI00128A","","","0.71073","","","0.0812","0.0434","","","0.1126","0.1454","","","","","","1.043","","","","has coordinates","232865","2020-10-21","18:00:00",""
"4348301","5.2386","0.001","11.3793","0.0017","10.8544","0.0018","90","","92.222","0.011","90","","646.56","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 Cu N4 O10 -","- C10 H4 Cu N4 O10 -","- C20 H8 Cu2 N8 O20 -","2","0.5","","Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar","1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties","Inorganic Chemistry Frontiers","2015","2","3","278","","10.1039/C4QI00129J","","","0.71073","MoKα","","0.0775","0.061","","","0.1733","0.1868","","","","","","1.097","","","","has coordinates","232868","2020-10-21","18:00:00",""
"4348302","5.2909","0.0002","12.0901","0.0005","13.9601","0.0005","90","","90.199","0.002","90","","892.99","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 Mn N2 O7 -","- C5 H8 Mn N2 O7 -","- C20 H32 Mn4 N8 O28 -","4","1","","Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar","1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties","Inorganic Chemistry Frontiers","2015","2","3","278","","10.1039/C4QI00129J","","","0.71073","MoKα","","0.0462","0.0319","","","0.071","0.0826","","","","","","1.064","","","","has coordinates","232868","2020-10-21","18:00:00",""
"4348303","12.9385","0.0003","6.731","0.0001","17.024","0.0004","90","","90","","90","","1482.6","0.05","295","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Compound 3","","- C5 H5 Mn N2 O6 -","- C5 H5 Mn N2 O6 -","- C40 H40 Mn8 N16 O48 -","8","1","","Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar","1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties","Inorganic Chemistry Frontiers","2015","2","3","278","","10.1039/C4QI00129J","","","0.71073","MoKα","","0.0348","0.0274","","","0.0862","0.1113","","","","","","1.328","","","","has coordinates","232868","2020-10-21","18:00:00",""
"4348304","14.154","0.003","6.6209","0.0013","15.047","0.003","90","","117.39","0.03","90","","1252","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cu N3 O7 -","- C10 H11 Cu N3 O7 -","- C40 H44 Cu4 N12 O28 -","4","1","","Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar","1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties","Inorganic Chemistry Frontiers","2015","2","3","278","","10.1039/C4QI00129J","","","0.71073","MoKα","","0.1001","0.0869","","","0.2256","0.2402","","","","","","1.08","","","","has coordinates","232868","2020-10-21","18:00:00",""
"4348305","10.3949","0.0002","11.3275","0.0002","18.6129","0.0003","90","","102.999","0.001","90","","2135.47","0.07","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H13 N5 Ni O5 -","- C20 H13 N5 Ni O5 -","- C80 H52 N20 Ni4 O20 -","4","1","","Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar","1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties","Inorganic Chemistry Frontiers","2015","2","3","278","","10.1039/C4QI00129J","","","0.71073","MoKα","","0.0515","0.0389","","","0.0838","0.0881","","","","","","1.032","","","","has coordinates","232868","2020-10-21","18:00:00",""
"4348308","14.111","0.0005","15.3337","0.0005","18.7087","0.0006","78.679","0.003","84.134","0.002","71.745","0.003","3765.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C143 H111 Cl9 Co4 N24 O31 P4 -","- C143 H111 Cl9 Co4 N24 O31 P4 -","- C143 H111 Cl9 Co4 N24 O31 P4 -","1","0.5","","Feng, Juan; Li, Hongmiao; Yang, Qiuli; Wei, Shi-Chao; Zhang, Jianyong; Su, Cheng-Yong","A two-dimensional flexible porous coordination polymer based on Co(ii) and terpyridyl phosphine oxide","Inorganic Chemistry Frontiers","2015","2","4","388","","10.1039/C4QI00138A","","","1.54178","CuKα","","0.0974","0.07","","","0.1851","0.2077","","","","","","1.025","","","","has coordinates","232870","2020-10-21","18:00:00",""
"4348309","23.862","0.0006","8.593","0.0001","19.0584","0.0005","90","","90","","90","","3907.85","0.15","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C40 H29 Cl3 Co N5 O7 P -","- C40 H29 Cl3 Co N5 O7 P -","- C160 H116 Cl12 Co4 N20 O28 P4 -","4","1","","Feng, Juan; Li, Hongmiao; Yang, Qiuli; Wei, Shi-Chao; Zhang, Jianyong; Su, Cheng-Yong","A two-dimensional flexible porous coordination polymer based on Co(ii) and terpyridyl phosphine oxide","Inorganic Chemistry Frontiers","2015","2","4","388","","10.1039/C4QI00138A","","","1.54178","CuKα","","0.0812","0.0611","","","0.1472","0.1588","","","","","","1.027","","","","has coordinates","232870","2020-10-21","18:00:00",""
"4348311","8.886","0.002","10.307","0.003","12.913","0.003","68.732","0.011","70.997","0.018","85.639","0.018","1040.9","0.5","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Cu N6 O4 S -","- C23 H16 Cu N6 O4 S -","- C46 H32 Cu2 N12 O8 S2 -","2","1","","Li, Peng; Regati, Sridhar; Huang, Huicai; Arman, Hadi D.; Zhao, John C.-G.; Chen, Banglin","A metal‒organic framework as a highly efficient and reusable catalyst for the solvent-free 1,3-dipolar cycloaddition of organic azides to alkynes","Inorganic Chemistry Frontiers","2015","2","1","42","","10.1039/C4QI00148F","","","0.71073","MoKα","","0.0375","0.0361","","","0.0928","0.0947","","","","","","0.996","","","","has coordinates","232872","2020-10-21","18:00:00",""
"4348313","7.026","0.003","10.737","0.005","13.782","0.006","104.485","0.005","96.215","0.008","103.909","0.003","961.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H54 N4 Ni O12 P2 -","- C28 H54 N4 Ni O12 P2 -","- C28 H54 N4 Ni O12 P2 -","1","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71075","MoKα","","0.0406","0.0372","","","0.1286","0.1381","","","","","","1.259","","","","has coordinates","232874","2020-10-21","18:00:00",""
"4348314","7.23","0.02","11.02","0.04","14.09","0.04","104.67","0.04","96.2","0.02","104.44","0.07","1034","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 Co N4 O12 P2 -","- C28 H52 Co0.987 N4 O12 P2 -","- C28 H52 Co0.987 N4 O12 P2 -","1","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71073","MoKα","","0.1138","0.1067","","","0.3254","0.3401","","","","","","1.366","","","","has coordinates","276344","2022-06-28","16:19:28",""
"4348315","9.877","0.004","23.87","0.009","24.139","0.009","90","","97.363","0.009","90","","5644","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 Cd N12 O9 P2 -","- C52 H68 Cd N12 O9 P2 -","- C208 H272 Cd4 N48 O36 P8 -","4","1","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71075","MoKα","","0.0817","0.075","","","0.1957","0.2026","","","","","","1.047","","","","has coordinates","276344","2022-06-28","16:19:29",""
"4348325","29.7719","0.0017","13.6473","0.0006","11.1274","0.0007","90","","109.043","0.007","90","","4273.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Mn N8 O10 P2 -","- C36 H56 Mn N8 O10 P2 -","- C144 H224 Mn4 N32 O40 P8 -","4","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71073","MoKα","","0.0627","0.0474","","","0.1265","0.1324","","","","","","0.946","","","","has coordinates","232876","2020-10-21","18:00:00",""
"4348326","28.612","0.005","13.113","0.005","11.789","0.005","90","0.005","91.344","0.005","90","0.005","4422","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Co N8 O10 P2 -","- C36 H56 Co N8 O10 P2 -","- C144 H224 Co4 N32 O40 P8 -","4","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71073","MoKα","","0.0973","0.0754","","","0.2169","0.2308","","","","","","0.997","","","","has coordinates,has disorder","232876","2020-10-21","18:00:00",""
"4348327","28.527","","13.224","","11.761","","90","","91.26","","90","","4435.66","","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Cu N8 O10 P2 -","- C36 H56 Cu N8 O10 P2 -","- C144 H224 Cu4 N32 O40 P8 -","4","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","1.54178","CuKα","","0.0854","0.08","","","0.2314","0.2409","","","","","","1.01","","","","has coordinates,has disorder","232876","2020-10-21","18:00:00",""
"4348328","8.7071","0.0003","8.8842","0.0003","14.321","0.0003","91.155","0.002","92.669","0.002","102.119","0.002","1081.44","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Cd N8 O10 P2 -","- C36 H56 Cd N8 O10 P2 -","- C36 H56 Cd N8 O10 P2 -","1","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71073","MoKα","","0.0242","0.0234","","","0.0617","0.062","","","","","","1.08","","","","has coordinates","232876","2020-10-21","18:00:00",""
"4348329","14.296","0.007","13.946","0.006","22.881","0.011","90","","93.456","0.008","90","","4554","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Mn N4 O10 P2 -","- C40 H60 Mn N4 O10 P2 -","- C160 H240 Mn4 N16 O40 P8 -","4","1","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71075","MoKα","","0.2068","0.1636","","","0.3587","0.3788","","","","","","1.064","","","","has coordinates","232876","2020-10-21","18:00:00",""
"4348334","10.197","0.002","10.504","0.002","14.735","0.003","89.36","0.03","79.33","0.03","64.21","0.03","1392.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 Br2 N2 Ni O -","- C27 H36 Br2 N2 Ni O -","- C54 H72 Br4 N4 Ni2 O2 -","2","1","","Sun, Zelin; Yue, Erlin; Qu, Mengnan; Oleynik, Irina V.; Oleynik, Ivan I.; Li, Kanshe; Liang, Tongling; Zhang, Wenjuan; Sun, Wen-Hua","8-(2-Cycloalkylphenylimino)-5,6,7-trihydro-quinolylnickel halides: polymerizing ethylene to highly branched and lower molecular weight polyethylenes","Inorganic Chemistry Frontiers","2015","2","3","223","","10.1039/C4QI00162A","","","0.71073","MoKα","","","0.0503","","","0.1402","0.1478","","","","","","1.003","","","","has coordinates","232878","2020-10-21","18:00:00",""
"4348335","20.796","0.003","20.796","0.003","17.869","0.004","90","","90","","90","","7728","2","293","2","293","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","JUC155","","- C21 H7 Co2 N O15 Zn -","- C21 H7 Co2 N O15 Zn -","- C168 H56 Co16 N8 O120 Zn8 -","8","0.5","","Chen, Siru; Xue, Ming; Li, Yanqiang; Pan, Ying; Zhu, Liangkui; Zhang, Daliang; Fang, Qianrong; Qiu, Shilun","Porous ZnCo2O4 nanoparticles derived from a new mixed-metal organic framework for supercapacitors","Inorganic Chemistry Frontiers","2015","2","2","177","","10.1039/C4QI00167B","","","0.71073","MoKα","","0.085","0.0787","","","0.1679","0.1721","","","","","","1.009","","","","has coordinates","232879","2020-10-21","18:00:00",""
"4348342","6.262","0.011","23.89","0.04","11.132","0.019","90","","104.46","0.03","90","","1613","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 B2 Cu3 F8 N12 -","- C32 H20 B2 Cu3 F8 N12 -","- C64 H40 B4 Cu6 F16 N24 -","2","0.5","","Terashima, Shotaro; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Planar trinuclear complexes with linear arrays of metal ions","Inorganic Chemistry Frontiers","2015","2","2","125","","10.1039/C4QI00172A","","","0.71073","MoKα","","0.1059","0.0868","","","0.2123","0.2238","","","","","","1.171","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348343","9.771","0.004","14.196","0.006","14.513","0.006","90","","90.374","0.008","90","","2013","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 B2 F8 N12 Ni3 O4 -","- C36 H32 B2 F8 N12 Ni3 O4 -","- C72 H64 B4 F16 N24 Ni6 O8 -","2","0.5","","Terashima, Shotaro; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Planar trinuclear complexes with linear arrays of metal ions","Inorganic Chemistry Frontiers","2015","2","2","125","","10.1039/C4QI00172A","","","0.71073","MoKα","","0.0943","0.0827","","","0.2113","0.2299","","","","","","1.071","","","","has coordinates","232881","2020-10-21","18:00:00",""
"4348344","21.896","0.003","13.118","0.0014","12.3002","0.0014","90","","107.635","0.002","90","","3367","0.7","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cd O7 S -","- C14 H10 Cd O7 S -","- C112 H80 Cd8 O56 S8 -","8","1","","Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Structural studies and detection of nitroaromatics by luminescent 2D coordination polymers with angular dicarboxylate ligands","Inorganic Chemistry Frontiers","2015","2","3","228","","10.1039/C4QI00175C","","","0.71073","MoKα","","0.0482","0.0404","","","0.0955","0.0989","","","","","","1.115","","","","has coordinates","232882","2020-10-21","18:00:00",""
"4348345","14.0167","0.0019","6.0416","0.0008","19.452","0.003","90","","93.811","0.002","90","","1643.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O14 S2 Zn3 -","- C32 H28 N2 O14 S2 Zn3 -","- C64 H56 N4 O28 S4 Zn6 -","2","0.5","","Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Structural studies and detection of nitroaromatics by luminescent 2D coordination polymers with angular dicarboxylate ligands","Inorganic Chemistry Frontiers","2015","2","3","228","","10.1039/C4QI00175C","","","0.71073","MoKα","","0.0947","0.0768","","","0.1494","0.1565","","","","","","1.212","","","","has coordinates","232882","2020-10-21","18:00:00",""
"4348347","8.9104","0.0008","12.1555","0.001","13.0201","0.0011","63.614","0.004","76.124","0.004","84.538","0.003","1226.32","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Br2 N2 O6 U -","- C26 H16 Br2 N2 O6 U -","- C52 H32 Br4 N4 O12 U2 -","2","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0307","0.0255","","","0.0481","0.0496","","","","","","1.013","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348348","12.4466","0.0008","21.6789","0.0013","9.411","0.0006","90","","95.249","0.004","90","","2528.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br2 N2 O6 U -","- C26 H16 Br2 N2 O6 U -","- C104 H64 Br8 N8 O24 U4 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0537","0.0311","","","0.056","0.0623","","","","","","1.005","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348349","14.2282","0.0008","6.5817","0.0004","16.178","0.0009","90","","115.259","0.005","90","","1370.15","0.15","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26 H16 Br4 N2 O7 U -","- C26 H14 Br4 N2 O7 U -","- C52 H28 Br8 N4 O14 U2 -","2","0.5","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0372","0.0279","","","0.0512","0.0543","","","","","","1.024","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348350","7.576","0.006","15.177","0.006","16.86","0.007","90","","102.094","0.006","90","","1895.6","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N4 O20 U4 -","- C28 H26 N4 O20 U4 -","- C56 H52 N8 O40 U8 -","2","0.5","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0265","0.0204","","","0.044","0.0453","","","","","","1.054","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348351","8.1393","0.0003","14.2487","0.0004","17.1933","0.0005","91.87","0.003","97.985","0.002","98.728","0.002","1948.84","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br3 N3 O12 U2 -","- C36 H23 Br3 N3 O12 U2 -","- C72 H46 Br6 N6 O24 U4 -","2","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0561","0.0322","","","0.0654","0.0724","","","","","","1.005","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348352","8.7005","0.0004","10.3737","0.0005","16.696","0.0008","107.848","0.004","95.093","0.004","95.359","0.003","1417.13","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H19 Br2 N3 O6 U -","- C29 H19 Br2 N3 O6 U -","- C58 H38 Br4 N6 O12 U2 -","2","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0447","0.0318","","","0.0652","0.0695","","","","","","1.011","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348353","13.8471","0.001","17.059","0.0012","14.0709","0.001","90","","115.488","0.001","90","","3000.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 Br4 N3 O6 U -","- C29 H17 Br4 N3 O6 U -","- C116 H68 Br16 N12 O24 U4 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0427","0.0273","","","0.0495","0.0538","","","","","","1.007","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348354","20.6384","0.0009","7.4578","0.0003","26.5728","0.0012","90","","105.647","0.006","90","","3938.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Br3 N3 O12 U2 -","- C36 H23 Br3 N3 O12 U2 -","- C144 H92 Br12 N12 O48 U8 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0784","0.0499","","","0.1195","0.135","","","","","","1.146","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348355","20.7772","0.0008","7.9807","0.0003","25.7089","0.001","90","","110.925","0.001","90","","3981.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H23 Br3 Cl N3 O11 U2 -","- C36 H22 Br3 Cl N3 O11 U2 -","- C144 H88 Br12 Cl4 N12 O44 U8 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0483","0.03","","","0.0607","0.0664","","","","","","1.017","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348356","8.994","0.0003","10.4251","0.0004","16.3687","0.0006","104.094","0.002","94.879","0.002","96.417","0.003","1469.19","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H18 Br2 Cl N3 O6 U -","- C29 H18 Br2 Cl N3 O6 U -","- C58 H36 Br4 Cl2 N6 O12 U2 -","2","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0661","0.0383","","","0.0758","0.0859","","","","","","1.013","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348357","18.8629","0.0013","8.6591","0.0006","26.9328","0.0019","90","","107.231","0.003","90","","4201.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Br6 Cl N3 O11 U2 -","- C36 H19 Br6 Cl N3 O11 U2 -","- C144 H76 Br24 Cl4 N12 O44 U8 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0678","0.0374","","","0.0628","0.0715","","","","","","1.01","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348358","20.7962","0.0008","7.5283","0.0006","26.7408","0.0011","90","","106.168","0.005","90","","4021","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 Br3 Cl N3 O12 U2 -","- C36 H22 Br3 Cl N3 O12 U2 -","- C144 H88 Br12 Cl4 N12 O48 U8 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0728","0.039","","","0.0671","0.0769","","","","","","1.003","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348363","21.692","0.003","7.4594","0.0009","9.8769","0.0012","90","","91.687","0.002","90","","1597.5","0.4","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H13 N5 O5 Zn2 -","- C12 H13 N5 O5 Zn2 -","- C48 H52 N20 O20 Zn8 -","4","0.5","","Qi, Xiao-Lin; Ye, Jia-Wen; Lin, Rui-Biao; Liao, Pei-Qin; Liu, Si-Yang; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Syntheses, structures and gas sorption properties of two coordination polymers with a unique type of supramolecular isomerism","Inorganic Chemistry Frontiers","2015","2","2","136","","10.1039/C4QI00190G","","","0.71073","MoKα","","0.0327","0.0305","","","0.0747","0.0761","","","","","","1.048","","","","has coordinates,has disorder","232887","2020-10-21","18:00:00",""
"4348364","14.214","0.003","7.4339","0.0016","7.5208","0.0016","90","","90","","90","","794.7","0.3","93","2","93","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C12 H13 N5 O5 Zn2 -","- C12 H13 N5 O5 Zn2 -","- C24 H26 N10 O10 Zn4 -","2","0.25","","Qi, Xiao-Lin; Ye, Jia-Wen; Lin, Rui-Biao; Liao, Pei-Qin; Liu, Si-Yang; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Syntheses, structures and gas sorption properties of two coordination polymers with a unique type of supramolecular isomerism","Inorganic Chemistry Frontiers","2015","2","2","136","","10.1039/C4QI00190G","","","0.71073","MoKα","","0.0441","0.0364","","","0.0906","0.0941","","","","","","1.086","","","","has coordinates,has disorder","232887","2020-10-21","18:00:00",""
"4348365","6.62214","0.0001","6.62214","0.0001","6.65264","0.0001","90","","90","","120","","252.651","0.007","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C0 H3 B6 Bi3 O15 -","- B6 Bi3 H3 O15 -","- B6 Bi3 H3 O15 -","1","0.333333","","Cong, Rihong; Wang, Ying; Kang, Lei; Zhou, Zhengyang; Lin, Zheshuai; Yang, Tao","An outstanding second-harmonic generation material BiB2O4F: exploiting the electron-withdrawing ability of fluorine","Inorganic Chemistry Frontiers","2015","2","2","170","","10.1039/C4QI00192C","","","0.71073","MoKα","","0.0443","0.0418","","","0.0915","0.0934","","","","","","1.018","","","","has coordinates","232888","2020-10-21","18:00:00",""
"4348368","13.103","0.004","30.424","0.006","23.434","0.005","90","","101.392","0.005","90","","9158","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H74 Gd2 N20 O47 -","- C66 H68 Gd2 N20 O47 -","- C264 H272 Gd8 N80 O188 -","4","1","","Pal, Tapan K.; De, Dinesh; Neogi, Subhadip; Bharadwaj, Parimal K.","Guest dependent reversible single-crystal to single-crystal structural transformation in a flexible Gd(iii)-coordination polymer","Inorganic Chemistry Frontiers","2015","2","4","395","","10.1039/C4QI00193A","","","0.71073","MoKα","","0.0659","0.0502","","","0.1256","0.1387","","","","","","1.056","","","","has coordinates","232891","2020-10-21","18:00:00",""
"4348369","13.137","0.005","30.227","0.005","23.326","0.005","90","","102.075","0.005","90","","9058","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H73 Cl Gd2 N20 O45 -","- C73 H73 Cl Gd2 N20 O45 -","- C292 H292 Cl4 Gd8 N80 O180 -","4","1","","Pal, Tapan K.; De, Dinesh; Neogi, Subhadip; Bharadwaj, Parimal K.","Guest dependent reversible single-crystal to single-crystal structural transformation in a flexible Gd(iii)-coordination polymer","Inorganic Chemistry Frontiers","2015","2","4","395","","10.1039/C4QI00193A","","","0.71069","MoKα","","0.0599","0.0445","","","0.1051","0.1137","","","","","","1.042","","","","has coordinates","232891","2020-10-21","18:00:00",""
"4348370","25.179","0.005","14.747","0.005","26.053","0.005","90","","94.964","0.005","90","","9638","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 F Gd N8 O27 -","- C34 H25 F Gd N8 O27 -","- C272 H200 F8 Gd8 N64 O216 -","8","1","","Pal, Tapan K.; De, Dinesh; Neogi, Subhadip; Bharadwaj, Parimal K.","Guest dependent reversible single-crystal to single-crystal structural transformation in a flexible Gd(iii)-coordination polymer","Inorganic Chemistry Frontiers","2015","2","4","395","","10.1039/C4QI00193A","","","0.71073","MoKα","","0.093","0.0626","","","0.1607","0.1833","","","","","","1.035","","","","has coordinates","232891","2020-10-21","18:00:00",""
"4348371","25.466","0.005","14.961","0.005","26.14","0.005","90","0.005","94.842","0.005","90","0.005","9924","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Gd N9 O26 -","- C38 H34 Gd N9 O26 -","- C304 H272 Gd8 N72 O208 -","8","1","","Pal, Tapan K.; De, Dinesh; Neogi, Subhadip; Bharadwaj, Parimal K.","Guest dependent reversible single-crystal to single-crystal structural transformation in a flexible Gd(iii)-coordination polymer","Inorganic Chemistry Frontiers","2015","2","4","395","","10.1039/C4QI00193A","","","0.71073","MoKα","","0.1222","0.0831","","","0.2171","0.252","","","","","","1.026","","","","has coordinates","232891","2020-10-21","18:00:00",""
"4348373","10.616","0.005","11.949","0.004","14.908","0.006","80.973","0.006","83.402","0.006","73.213","0.005","1783.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H66 Co3 N8 O16 S2 -","- C68 H62 Co3 N8 O16 S2 -","- C68 H62 Co3 N8 O16 S2 -","1","0.5","","Datta, Amitabha; Das, Kuheli; Massera, Chiara; Clegg, Jack K.; Pfrunder, Michael C.; Garribba, Eugenio; Huang, Jui-Hsien; Sinha, Chittaranjan; Maji, Tapas Kumar; Akitsu, Takashiro; Orita, Shingo","A 2-D coordination polymer incorporating cobalt(ii), 2-sulfoterephthalate and the flexible bridging ligand 1,3-di(4-pyridyl)propane","Inorganic Chemistry Frontiers","2015","2","2","157","","10.1039/C4QI00201F","","","0.71069","MoKα","","0.0701","0.0476","","","0.1308","0.1459","","","","","","1.013","","","","has coordinates","232893","2020-10-21","18:00:00",""
"4348374","10.6094","0.0006","11.9098","0.0006","14.7412","0.0007","81.495","0.004","83.114","0.004","72.479","0.005","1751.07","0.16","331","2","331","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H62 Co3 N8 O14 S2 -","- C68 H62 Co3 N8 O14 S2 -","- C68 H62 Co3 N8 O14 S2 -","1","0.5","","Datta, Amitabha; Das, Kuheli; Massera, Chiara; Clegg, Jack K.; Pfrunder, Michael C.; Garribba, Eugenio; Huang, Jui-Hsien; Sinha, Chittaranjan; Maji, Tapas Kumar; Akitsu, Takashiro; Orita, Shingo","A 2-D coordination polymer incorporating cobalt(ii), 2-sulfoterephthalate and the flexible bridging ligand 1,3-di(4-pyridyl)propane","Inorganic Chemistry Frontiers","2015","2","2","157","","10.1039/C4QI00201F","","","0.71073","MoKα","","0.0788","0.0482","","","0.0854","0.0966","","","","","","1.008","","","","has coordinates,has disorder","232893","2020-10-21","18:00:00",""
"4348380","15.1973","0.0005","15.1973","0.0005","22.1529","0.0008","90","","90","","90","","5116.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-[(mu3-adeninato-k3-N3:N7:N9)(mu-butanoato-k2-O,O')nickel(II)]","","- C18 H22 N10 Ni2 O4 -","- C18 H22 N10 Ni2 O4 -","- C144 H176 N80 Ni16 O32 -","8","0.5","","Lanchas, Mónica; Arcediano, Sandra; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia","Towards multicomponent MOFs via solvent-free synthesis under conventional oven and microwave assisted heating","Inorganic Chemistry Frontiers","2015","2","5","425","","10.1039/C4QI00208C","","","1.54184","CuKα","","0.1204","0.1155","","","0.2708","0.274","","","","","","1.064","","","","has coordinates","232895","2020-10-21","18:00:00",""
"4348381","9.1709","0.0004","11.7306","0.0004","12.9958","0.0004","90","","96.4","0.003","90","","1389.38","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","poly-[bis(mu-acetato-kO:kO')bis(mu-acetato-kO:kO)bis(mu3-adeninato-k3-N3:N7:N9)trizinc(II)] trihydrate","","- C18 H26 N10 O11 Zn3 -","- C18 H20 N10 O11 Zn3 -","- C36 H40 N20 O22 Zn6 -","2","0.5","","Lanchas, Mónica; Arcediano, Sandra; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia","Towards multicomponent MOFs via solvent-free synthesis under conventional oven and microwave assisted heating","Inorganic Chemistry Frontiers","2015","2","5","425","","10.1039/C4QI00208C","","","0.71073","MoKα","","0.0918","0.06","","","0.1265","0.1404","","","","","","1.041","","","","has coordinates,has disorder","232895","2020-10-21","18:00:00",""
"4348382","4.7692","0.0002","10.4912","0.0007","17.9695","0.001","90","","104.874","0.005","90","","868.97","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","poly-[(mu-acetato-kO:kO')(mu-hypoxanthinato-kN7:kN9)zinc(II)]","","- C7 H6 N4 O3 Zn -","- C7 H6 N4 O3 Zn -","- C28 H24 N16 O12 Zn4 -","4","1","","Lanchas, Mónica; Arcediano, Sandra; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia","Towards multicomponent MOFs via solvent-free synthesis under conventional oven and microwave assisted heating","Inorganic Chemistry Frontiers","2015","2","5","425","","10.1039/C4QI00208C","","","1.5418","CuKα","","0.0474","0.0419","","","0.1131","0.117","","","","","","1.095","","","","has coordinates","232895","2020-10-21","18:00:00",""
"4348383","7.1579","0.0004","12.8195","0.0007","13.0602","0.0007","114.763","0.005","100.349","0.005","100.859","0.005","1022.83","0.12","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","[bis(mu-adenine-kN3:kN9)diaquabis(mu-formato-kO:kO)bisformatodinickel(II)]-adeninium formate-formic acid (1/2/2)","","- C28 H36 N20 Ni2 O18 -","- C28 H36 N20 Ni2 O18 -","- C28 H36 N20 Ni2 O18 -","1","0.5","","Lanchas, Mónica; Arcediano, Sandra; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia","Towards multicomponent MOFs via solvent-free synthesis under conventional oven and microwave assisted heating","Inorganic Chemistry Frontiers","2015","2","5","425","","10.1039/C4QI00208C","","","0.71073","MoKα","","0.0543","0.0395","","","0.0948","0.1006","","","","","","1.039","","","","has coordinates","232895","2020-10-21","18:00:00",""
"4348387","27.913","0.002","9.7024","0.0007","22.807","0.0016","90","","109.518","0.001","90","","5821.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 Co N4 O10 -","- C31 H23 Co N4 O10 -","- C248 H184 Co8 N32 O80 -","8","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0511","0.0416","","","0.1164","0.122","","","","","","1.067","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348388","9.4576","0.0004","11.757","0.0006","17.2174","0.0008","83.194","0.001","80.712","0.001","77.628","0.001","1838.47","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N6 Ni O11 -","- C42 H30 N6 Ni O11 -","- C84 H60 N12 Ni2 O22 -","2","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0526","0.0451","","","0.1091","0.1128","","","","","","1.041","","","","has coordinates,has disorder","232897","2020-10-21","18:00:00",""
"4348389","27.413","0.004","10.0478","0.0016","20.669","0.003","90","","105.821","0.003","90","","5477.4","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 Cu N4 O9 -","- C31 H21 Cu N4 O9 -","- C248 H168 Cu8 N32 O72 -","8","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0589","0.0435","","","0.1147","0.1234","","","","","","1.027","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348390","27.781","0.002","10.0395","0.0008","22.2588","0.0017","90","","109.215","0.001","90","","5862.3","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N4 O10 Zn -","- C31 H23 N4 O10 Zn -","- C248 H184 N32 O80 Zn8 -","8","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.041","0.0329","","","0.0912","0.0959","","","","","","1.067","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348391","10.0186","0.0006","10.2419","0.0006","14.6114","0.0008","90.753","0.001","93.934","0.001","90.747","0.001","1495.46","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cd N4 O11 -","- C31 H25 Cd N4 O11 -","- C62 H50 Cd2 N8 O22 -","2","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0355","0.0297","","","0.0719","0.0747","","","","","","1.018","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348392","10.0522","0.0016","11.4431","0.0018","15.205","0.002","96.493","0.003","102.803","0.003","105.101","0.002","1619.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Co N4 O12 -","- C31 H27 Co N4 O12 -","- C62 H54 Co2 N8 O24 -","2","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0511","0.0443","","","0.1429","0.1501","","","","","","1.084","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348393","16.7246","0.0007","16.7246","0.0007","59.874","0.005","90","","90","","120","","14503.8","1.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H18 N4 Ni O6 -","- C28 H18 N4 Ni O6 -","- C504 H324 N72 Ni18 O108 -","18","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0868","0.0637","","","0.1918","0.2021","","","","","","1.095","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348394","18.942","0.002","18.942","0.002","38.976","0.004","90","","90","","120","","12111","2","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C28 H18 Cu N4 O6 -","- C28 H16 Cu N4 O6 -","- C504 H288 Cu18 N72 O108 -","18","0.5","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0978","0.0801","","","0.2141","0.2269","","","","","","1.053","","","","has coordinates,has disorder","232897","2020-10-21","18:00:00",""
"4348395","11.847","0.0004","16.226","0.0005","14.7859","0.0005","90","","109.545","0.001","90","","2678.51","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N4 O8 Zn -","- C31 H20 N4 O8 Zn -","- C124 H80 N16 O32 Zn4 -","4","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0304","0.0274","","","0.0735","0.0752","","","","","","1.026","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348396","14.1344","0.0019","14.1344","0.0019","20.396","0.003","90","","90","","120","","3528.8","0.8","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C25 H17 Cd Cl N4 O4 -","- C25 H17 Cd Cl N4 O4 -","- C150 H102 Cd6 Cl6 N24 O24 -","6","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.056","0.0406","","","0.0926","0.0987","","","","","","1.026","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348400","29.809","0.004","29.809","0.004","8.4384","0.0015","90","","90","","90","","7498.2","1.9","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H24 Cu1.5 N O9.25 -","- C17 H24 Cu1.5 N O9.25 -","- C272 H384 Cu24 N16 O148 -","16","1","","Dias, Sara S. P.; Kirillova, Marina V.; André, Vânia; Kłak, Julia; Kirillov, Alexander M.","New tricopper(ii) cores self-assembled from aminoalcohol biobuffers and homophthalic acid: synthesis, structural and topological features, magnetic properties and mild catalytic oxidation of cyclic and linear C5‒C8 alkanes","Inorganic Chemistry Frontiers","2015","2","6","525","","10.1039/C4QI00220B","","","0.71069","MoKα","","0.132","0.0735","","","0.1707","0.1994","","","","","","1.014","","","","has coordinates","232900","2020-10-21","18:00:00",""
"4348401","18.2009","0.0007","13.56","0.0004","13.3152","0.0005","90","","99.471","0.002","90","","3241.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Cu3 N2 O14 -","- C30 H40 Cu3 N2 O14 -","- C120 H160 Cu12 N8 O56 -","4","1","","Dias, Sara S. P.; Kirillova, Marina V.; André, Vânia; Kłak, Julia; Kirillov, Alexander M.","New tricopper(ii) cores self-assembled from aminoalcohol biobuffers and homophthalic acid: synthesis, structural and topological features, magnetic properties and mild catalytic oxidation of cyclic and linear C5‒C8 alkanes","Inorganic Chemistry Frontiers","2015","2","6","525","","10.1039/C4QI00220B","","","0.71069","MoKα","","0.0405","0.0302","","","0.0697","0.0726","","","","","","1.066","","","","has coordinates","232900","2020-10-21","18:00:00",""
"4348404","16.951","0.002","20.589","0.003","25.375","0.004","90","","96.243","0.002","90","","8803","2","130","2","130","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H75 N O5 S14 Zn8 -","- C84 H75 N O5 S14 Zn8 -","- C336 H300 N4 O20 S56 Zn32 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.0744","0.0694","","","0.1661","0.1694","","","","","","1.026","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348405","25.9462","0.0006","13.333","0.0002","28.9328","0.0005","90","","98.5","0.002","90","","9899.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H88 N2 S15 Zn8 -","- C104 H88 N2 S15 Zn8 -","- C416 H352 N8 S60 Zn32 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","1.54178","CuKα","","0.0953","0.074","","","0.1789","0.1937","","","","","","1.041","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348406","25.4629","0.0019","13.3084","0.001","29.022","0.002","90","","98.821","0.004","90","","9718.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H86 N4 S15 Zn8 -","- C102 H86 N4 S15 Zn8 -","- C408 H344 N16 S60 Zn32 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.1212","0.1046","","","0.3357","0.3497","","","","","","1.007","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348407","13.3365","0.0004","13.4427","0.0004","29.4227","0.0009","90.982","0.002","91.336","0.002","106.792","0.003","5047","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H84 N2 S17 Zn8 -","- C102 H84 N2 S17 Zn8 -","- C204 H168 N4 S34 Zn16 -","2","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.1547","0.1373","","","0.3721","0.3797","","","","","","1.125","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348408","13.0752","0.0005","25.2259","0.0009","31.8774","0.0013","90","","96.401","0.002","90","","10448.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H0 N4 S15 Zn8 -","- C108 N4 S15 Zn8 -","- C432 N16 S60 Zn32 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.1426","0.0663","","","0.161","0.1878","","","","","","0.889","","","","has coordinates,has disorder","232903","2020-10-21","18:00:00",""
"4348409","53.269","0.003","13.3807","0.0003","38.045","0.002","90","","133.037","0.009","90","","19821","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C191 H0 N8 S32 Zn16 -","- C191 N8 S32 Zn16 -","- C764 N32 S128 Zn64 -","4","0.5","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.1241","0.0939","","","0.2469","0.2762","","","","","","1.01","","","","has coordinates,has disorder","232903","2020-10-21","18:00:00",""
"4348410","13.3661","0.0002","24.0675","0.0003","19.021","0.0004","90","","105.48","0.002","90","","5896.87","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 N2 S8 Zn4 -","- C60 H50 N2 S8 Zn4 -","- C240 H200 N8 S32 Zn16 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.0548","0.0334","","","0.0641","0.0726","","","","","","1.032","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348411","19.3609","0.001","31.6252","0.0018","18.4565","0.0009","90","","99.136","0.002","90","","11157.4","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H96 N4 S16 Zn8 -","- C116 H96 N4 S16 Zn8 -","- C464 H384 N16 S64 Zn32 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.083","0.0569","","","0.1284","0.1441","","","","","","1.029","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348413","8.4339","0.0017","10.588","0.002","10.687","0.002","66.082","0.002","82.662","0.002","82.739","0.002","862.3","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C42 H38 N6 O2 -","2","1","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","0.71073","MoKα","","0.0464","0.0396","","","0.0977","0.1023","","","","","","1.065","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348414","10.8758","0.0016","18.848","0.003","9.4682","0.0014","90","","92.429","0.002","90","","1939.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","0.71073","MoKα","","0.0497","0.0398","","","0.0972","0.1037","","","","","","1.053","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348415","10.2809","0.0009","10.3681","0.0009","10.6801","0.0009","62.458","0.005","79.593","0.005","70.395","0.006","950.45","0.15","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N3 O -","- C25 H21 N3 O -","- C50 H42 N6 O2 -","2","1","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","1.54178","CuKα","","0.039","0.0338","","","0.0911","0.0939","","","","","","1.084","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348416","9.9964","0.0003","9.9964","0.0003","16.0766","0.0007","90","","90","","120","","1391.27","0.08","110","2","110","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C66 H63 N9 O6 -","3","1","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","1.54178","CuKα","","0.0285","0.0275","","","0.0686","0.0692","","","","","","1.111","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348417","12.6374","0.0015","12.789","0.0015","12.804","0.0015","73.447","0.002","75.957","0.002","74.303","0.002","1878.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C88 H84 N12 O4 -","4","2","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","0.71073","MoKα","","0.0513","0.0424","","","0.1098","0.1153","","","","","","1.045","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348418","8.4363","0.0013","10.339","0.0016","10.9129","0.0017","65.535","0.002","86.346","0.002","85.211","0.002","862.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Cu N6 O2 -","- C42 H36 Cu N6 O2 -","- C42 H36 Cu N6 O2 -","1","0.5","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","0.71073","MoKα","","0.0326","0.0317","","","0.0846","0.0853","","","","","","1.079","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348419","6.125","0.0008","11.514","0.0014","13.2365","0.0016","81.52","0.002","87.731","0.002","85.984","0.002","920.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cu N6 O2 -","- C44 H40 Cu N6 O2 -","- C44 H40 Cu N6 O2 -","1","0.5","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","0.71073","MoKα","","0.0266","0.0258","","","0.0677","0.0684","","","","","","1.071","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348420","33.152","0.002","14.4302","0.001","14.0799","0.001","90","","90","","90","","6735.7","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Co_Pyrene_1","","","- C56.15 H18 Co4 N2.65 O24.68 -","- C56.1527 H18 Co4 N2.6509 O24.6721 -","- C224.611 H72 Co16 N10.6036 O98.6884 -","4","0.5","","Gao, Wen-Yang; Palakurty, Sathvik; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Open metal sites dangled on cobalt trigonal prismatic clusters within porous MOF for CO2 capture","Inorganic Chemistry Frontiers","2015","2","4","369","","10.1039/C4QI00240G","","","0.41328","synchrotron","","0.1009","0.0705","","","0.1955","0.2175","","","","","","1.07","","","","has coordinates,has disorder","232906","2020-10-21","18:00:00",""
"4348422","10.0677","0.0003","15.6039","0.0005","20.1092","0.0005","78.1845","0.001","83.2542","0.0011","73.8005","0.0013","2963.23","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H58 N11 O15.5 Zn2 -","- C61 H46.5 N11 O15.5 Zn2 -","- C122 H93 N22 O31 Zn4 -","2","1","","Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh","Amide-containing zinc(ii) metal‒organic layered networks: a structure‒CO2 capture relationship","Inorganic Chemistry Frontiers","2015","2","5","477","","10.1039/C4QI00241E","","","0.71073","MoKα","","0.0844","0.0669","","","0.1773","0.1893","","","","","","1.067","","","","has coordinates,has disorder","232908","2020-10-21","18:00:00",""
"4348423","10.534","0.0002","15.0561","0.0002","15.8443","0.0003","90","","96.929","0.001","90","","2494.57","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N5 O6 Zn -","- C27 H22 N5 O6 Zn -","- C108 H88 N20 O24 Zn4 -","4","1","","Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh","Amide-containing zinc(ii) metal‒organic layered networks: a structure‒CO2 capture relationship","Inorganic Chemistry Frontiers","2015","2","5","477","","10.1039/C4QI00241E","","","0.71073","MoKα","","0.0484","0.0356","","","0.0841","0.0903","","","","","","1.032","","","","has coordinates","232908","2020-10-21","18:00:00",""
"4348425","9.1503","0.001","9.2244","0.001","15.1607","0.0016","87.9626","0.0018","76.3602","0.0017","75.8111","0.0018","1205.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H30 Cl Dy N3 O17 P3 -","- C9 H30 Cl Dy N3 O17 P3 -","- C18 H60 Cl2 Dy2 N6 O34 P6 -","2","1","","Ren, Min; Bao, Song-Song; Wang, Bing-Wu; Ferreira, Rute A. S.; Zheng, Li-Min; Carlos, Luis D.","Lanthanide phosphonates with pseudo-D5h local symmetry exhibiting magnetic and luminescence bifunctional properties","Inorganic Chemistry Frontiers","2015","2","6","558","","10.1039/C4QI00242C","","","0.71073","MoKα","","0.0274","0.0252","","","0.0599","0.0605","","","","","","1.003","","","","has coordinates,has disorder","232910","2020-10-21","18:00:00",""
"4348426","9.1535","0.0008","9.2424","0.0008","15.245","0.0013","88.204","0.001","76.292","0.001","75.813","0.001","1214.29","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H32 Cl Ho N3 O17 P3 -","- C9 H30 Cl Ho N3 O17 P3 -","- C18 H60 Cl2 Ho2 N6 O34 P6 -","2","1","","Ren, Min; Bao, Song-Song; Wang, Bing-Wu; Ferreira, Rute A. S.; Zheng, Li-Min; Carlos, Luis D.","Lanthanide phosphonates with pseudo-D5h local symmetry exhibiting magnetic and luminescence bifunctional properties","Inorganic Chemistry Frontiers","2015","2","6","558","","10.1039/C4QI00242C","","","0.71073","MoKα","","0.0257","0.0229","","","0.0558","0.0573","","","","","","1.041","","","","has coordinates,has disorder","232910","2020-10-21","18:00:00",""
"4348429","15.927","0.003","9.976","0.002","17.407","0.004","90","","101.138","0.004","90","","2713.7","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H40 B9 N Si2 Zr -","- C17 H40 B9 N Si2 Zr -","- C68 H160 B36 N4 Si8 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0977","0.0507","","","0.1193","0.1458","","","","","","1.034","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348430","19.577","0.003","9.9739","0.0013","16.926","0.002","90","","99.29","0.003","90","","3261.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H50 B9 N Si2 Zr -","- C23 H50 B9 N Si2 Zr -","- C92 H200 B36 N4 Si8 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0472","0.0341","","","0.0881","0.0961","","","","","","1.067","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348431","10.1753","0.0019","11.11","0.002","22.337","0.004","91.666","0.003","91.912","0.003","114.031","0.003","2302.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 B9 N Si2 Zr -","- C38 H56 B9 N Si2 Zr -","- C76 H112 B18 N2 Si4 Zr2 -","2","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.099","0.0748","","","0.22","0.2421","","","","","","0.956","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348432","10.1994","0.0015","11.6367","0.0016","15.352","0.002","80.628","0.003","74.97","0.003","76.18","0.003","1698.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 B9 N Si2 Zr -","- C26 H48 B9 N Si2 Zr -","- C52 H96 B18 N2 Si4 Zr2 -","2","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0472","0.0368","","","0.0903","0.098","","","","","","1.065","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348433","19.53","0.002","10.2075","0.0012","20.64","0.002","90","","115.677","0.002","90","","3708.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 B9 N Si3 Zr -","- C28 H54 B9 N Si3 Zr -","- C112 H216 B36 N4 Si12 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.1204","0.0517","","","0.1252","0.1675","","","","","","0.986","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348434","18.3707","0.0015","10.6144","0.001","20.4646","0.0018","90","","115.754","0.002","90","","3594.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H58 B9 N Si3 Zr -","- C26 H58 B9 N Si3 Zr -","- C104 H232 B36 N4 Si12 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0723","0.0446","","","0.1045","0.1243","","","","","","1.055","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348435","10.7196","0.0014","17.942","0.002","16.946","0.002","90","","96.343","0.004","90","","3239.3","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 B9 N Si2 Zr -","- C25 H46 B9 N Si2 Zr -","- C100 H184 B36 N4 Si8 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0932","0.0794","","","0.1749","0.1831","","","","","","1.005","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348436","11.055","0.004","30.19","0.009","10.338","0.003","90","","107.929","0.006","90","","3282.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 B9 N Si3 Zr -","- C22 H50 B9 N Si3 Zr -","- C88 H200 B36 N4 Si12 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0638","0.0438","","","0.109","0.1229","","","","","","1.064","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348437","10.9093","0.001","9.5378","0.0009","34.342","0.003","90","","92.432","0.002","90","","3570.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H54 B9 N Si2 Zr -","- C26.5 H50 B9 N Si2 Zr -","- C106 H200 B36 N4 Si8 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0894","0.0494","","","0.1216","0.1513","","","","","","1.067","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348886","58.419","0.006","20.302","0.002","7.4801","0.0008","90","","91.105","0.003","90","","8869.9","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1","","","- C30 H40 Mn3 N3 O19 -","- C29 H30 Mn3 N3 O15 -","- C232 H240 Mn24 N24 O120 -","8","1","","Liu, Jun-Liang; Huang, Guo-Zhang; Tong, Ming-Liang","Field-induced dynamic magnetic behaviour of a canted weak ferromagnetic chain material","Inorganic Chemistry Frontiers","2015","2","4","403","","10.1039/C5QI00004A","","","0.71073","MoKα","","0.1412","0.08","","","0.1904","0.2236","","","","","","0.905","","","","has coordinates","233469","2020-10-21","18:00:00",""
"4348887","35.738","0.007","19.551","0.004","25.253","0.005","90","","99.033","0.003","90","","17426","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C150 H182 Cl2 Mn19 N4 O80 -","- C150 H140 Cl2 Mn19 N4 O60 -","- C600 H560 Cl8 Mn76 N16 O240 -","4","0.5","","Ida, Hiromichi; Shiga, Takuya; Newton, Graham N.; Oshio, Hiroki","Syntheses, structures and magnetism of mixed-valence Mn19 and Mn21 complexes supported by alkylamine-based alkoxo-bridging ligands","Inorganic Chemistry Frontiers","2015","2","6","538","","10.1039/C5QI00013K","","","0.71073","MoKα","","0.1566","0.076","","","0.1705","0.1975","","","","","","1.029","","","","has coordinates,has disorder","233470","2020-10-21","18:00:00",""
"4348888","15.472","0.005","19.315","0.006","33.584","0.01","96.546","0.005","102.138","0.004","109.674","0.004","9051","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H224 Mn21 N9 O95 -","- C140 H155 Mn21 N9 O67 -","- C280 H310 Mn42 N18 O134 -","2","1","","Ida, Hiromichi; Shiga, Takuya; Newton, Graham N.; Oshio, Hiroki","Syntheses, structures and magnetism of mixed-valence Mn19 and Mn21 complexes supported by alkylamine-based alkoxo-bridging ligands","Inorganic Chemistry Frontiers","2015","2","6","538","","10.1039/C5QI00013K","","","0.71073","MoKα","","0.1729","0.0723","","","0.1407","0.1642","","","","","","0.877","","","","has coordinates","233470","2020-10-21","18:00:00",""
"4348889","15.403","0.002","16.197","0.002","17.228","0.003","90","","109.552","0.002","90","","4050.2","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 Au2 N P -","- C47 H42 Au2 N P -","- C188 H168 Au8 N4 P4 -","4","1","","Hung, Ling-Ling; Lam, Wai Han; Wong, Keith Man-Chung; Cheng, Eddie Chung-Chin; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, luminescence and electrochemical properties of luminescent dinuclear mixed-valence gold complexes with alkynyl bridges","Inorganic Chemistry Frontiers","2015","2","5","453","","10.1039/C5QI00017C","","","0.71073","MoKα","","0.0499","0.034","","","0.0876","0.0967","","","","","","1.018","","","","has coordinates","233471","2020-10-21","18:00:00",""
"4348890","9.232","0.003","32.7364","0.0011","14.886","0.005","90","","104.784","0.006","90","","4350","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H34 Au2 Cl4 N P -","- C47 H34 Au2 Cl4 N P -","- C188 H136 Au8 Cl16 N4 P4 -","4","1","","Hung, Ling-Ling; Lam, Wai Han; Wong, Keith Man-Chung; Cheng, Eddie Chung-Chin; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, luminescence and electrochemical properties of luminescent dinuclear mixed-valence gold complexes with alkynyl bridges","Inorganic Chemistry Frontiers","2015","2","5","453","","10.1039/C5QI00017C","","","0.71071","MoKα","","0.0818","0.0637","","","0.1438","0.1522","","","","","","1.158","","","","has coordinates","233471","2020-10-21","18:00:00",""
"4348891","14.402","0.003","14.505","0.003","39.229","0.009","90","","100.194","0.004","90","","8066","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Au2 N O3 P -","- C48 H36 Au2 N O3 P -","- C384 H288 Au16 N8 O24 P8 -","8","1","","Hung, Ling-Ling; Lam, Wai Han; Wong, Keith Man-Chung; Cheng, Eddie Chung-Chin; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, luminescence and electrochemical properties of luminescent dinuclear mixed-valence gold complexes with alkynyl bridges","Inorganic Chemistry Frontiers","2015","2","5","453","","10.1039/C5QI00017C","","","0.71073","MoKα","","0.0768","0.0564","","","0.1204","0.128","","","","","","1.148","","","","has coordinates","233471","2020-10-21","18:00:00",""
"4348893","14.123","0.004","33.38","0.009","16.833","0.003","90","","111.943","0.016","90","","7361","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C130 H148 N14 O55 Zn8 -","- C130 H144 N14 O55 Zn8 -","- C260 H288 N28 O110 Zn16 -","2","0.5","","Liu, Bo; Jiang, Ya-Hui; Li, Zhi-Sen; Hou, Lei; Wang, Yao-Yu","Selective CO2 adsorption in a microporous metal‒organic framework with suitable pore sizes and open metal sites","Inorganic Chemistry Frontiers","2015","2","6","550","","10.1039/C5QI00025D","","","0.71073","MoKα","","0.094","0.0684","","","0.2208","0.2493","","","","","","1.122","","","","has coordinates","233473","2020-10-21","18:00:00",""
"4348894","14.1192","0.0017","33.389","0.004","16.938","0.002","90","","111.664","0.002","90","","7421","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C92 H42 O43 Zn8 -","- C92 H42 O43 Zn8 -","- C184 H84 O86 Zn16 -","2","0.5","","Liu, Bo; Jiang, Ya-Hui; Li, Zhi-Sen; Hou, Lei; Wang, Yao-Yu","Selective CO2 adsorption in a microporous metal‒organic framework with suitable pore sizes and open metal sites","Inorganic Chemistry Frontiers","2015","2","6","550","","10.1039/C5QI00025D","","","0.71073","MoKα","","0.1459","0.0706","","","0.1757","0.1898","","","","","","1.142","","","","has coordinates,has disorder","233473","2020-10-21","18:00:00",""
"4348896","13.0014","0.0005","16.8333","0.0006","24.6941","0.0009","90","","100.082","0.004","90","","5321","0.3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H46 As2 Cl4 N2 O2 Ru S2 -","- C57 H46 As2 Cl4 N2 O2 Ru S2 -","- C228 H184 As8 Cl16 N8 O8 Ru4 S8 -","4","1","","Vijayan, Paranthaman; Viswanathamurthi, Periasamy; Sugumar, Paramasivam; Ponnuswamy, Mondikalipudur Nanjappagounder; Balakumaran, Manickam Dakshinamoorthi; Kalaichelvan, Pudupalayam Thangavelu; Velmurugan, Krishnaswamy; Nandhakumar, Raju; Butcher, Ray Jay","Unprecedented formation of organo-ruthenium(ii) complexes containing 2-hydroxy-1-naphthaldehyde S-benzyldithiocarbazate: synthesis, X-ray crystal structure, DFT study and their biological activities in vitro","Inorganic Chemistry Frontiers","2015","2","7","620","","10.1039/C5QI00029G","","","0.71073","MoKα","","0.1199","0.0601","","","0.0939","0.1124","","","","","","1.013","","","","has coordinates,has disorder","233475","2020-10-21","18:00:00",""
"4348897","14.1173","0.0005","14.4593","0.0008","14.6783","0.0008","88.9","0.002","71.657","0.002","85.455","0.002","2835","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H44 Cl N2 O2 P2 Ru S2 -","- C56 H44 Cl N2 O2 P2 Ru S2 -","- C112 H88 Cl2 N4 O4 P4 Ru2 S4 -","2","1","","Vijayan, Paranthaman; Viswanathamurthi, Periasamy; Sugumar, Paramasivam; Ponnuswamy, Mondikalipudur Nanjappagounder; Balakumaran, Manickam Dakshinamoorthi; Kalaichelvan, Pudupalayam Thangavelu; Velmurugan, Krishnaswamy; Nandhakumar, Raju; Butcher, Ray Jay","Unprecedented formation of organo-ruthenium(ii) complexes containing 2-hydroxy-1-naphthaldehyde S-benzyldithiocarbazate: synthesis, X-ray crystal structure, DFT study and their biological activities in vitro","Inorganic Chemistry Frontiers","2015","2","7","620","","10.1039/C5QI00029G","","","0.71073","MoKα","","0.1172","0.0642","","","0.1228","0.1499","","","","","","1.022","","","","has coordinates","233475","2020-10-21","18:00:00",""
"4348899","9.1116","0.0005","9.1187","0.0005","13.5556","0.0007","76.481","0.0017","85.819","0.0018","60.208","0.0013","949.09","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu2 I2 N4 S -","- C16 H16 Cu2 I2 N4 S -","- C32 H32 Cu4 I4 N8 S2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Tan, Ai Lin; Yeo, Sing Chen; Young, David James; Andy Hor, T. S.","Assembly of photoluminescent [CunIn] (n = 4, 6 and 8) clusters by clickable hybrid [N,S] ligands","Inorganic Chemistry Frontiers","2015","2","11","1011","","10.1039/C5QI00030K","","","0.71073","MoKα","","0.0287","0.0217","","","0.0398","0.0414","","","","","","1.058","","","","has coordinates,has disorder","233478","2020-10-21","18:00:00",""
"4348900","8.712","0.002","9.519","0.002","14.794","0.004","84.748","0.005","80.363","0.006","65.779","0.005","1102.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 Cu3 I3 N4 S -","- C15 H20 Cu3 I3 N4 S -","- C30 H40 Cu6 I6 N8 S2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Tan, Ai Lin; Yeo, Sing Chen; Young, David James; Andy Hor, T. S.","Assembly of photoluminescent [CunIn] (n = 4, 6 and 8) clusters by clickable hybrid [N,S] ligands","Inorganic Chemistry Frontiers","2015","2","11","1011","","10.1039/C5QI00030K","","","0.71073","MoKα","","0.0503","0.0452","","","0.1158","0.1181","","","","","","1.196","","","","has coordinates","233478","2020-10-21","18:00:00",""
"4348901","8.7035","0.0007","9.4819","0.0008","15.5066","0.0013","86.7966","0.0019","82.541","0.002","71.2768","0.0018","1201.58","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cu6 I6 N8 S2 -","- C38 H44 Cu6 I6 N8 S2 -","- C38 H44 Cu6 I6 N8 S2 -","1","0.5","","Bai, Shi-Qiang; Jiang, Lu; Tan, Ai Lin; Yeo, Sing Chen; Young, David James; Andy Hor, T. S.","Assembly of photoluminescent [CunIn] (n = 4, 6 and 8) clusters by clickable hybrid [N,S] ligands","Inorganic Chemistry Frontiers","2015","2","11","1011","","10.1039/C5QI00030K","","","0.71073","MoKα","","0.0354","0.0281","","","0.0676","0.0714","","","","","","1.06","","","","has coordinates","233478","2020-10-21","18:00:00",""
"4348902","9.3044","0.0006","12.4409","0.0008","26.2206","0.0016","103.477","0.001","95.743","0.002","96.496","0.001","2907.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cu8 I8 N10 S2 -","- C42 H44 Cu8 I8 N10 S2 -","- C84 H88 Cu16 I16 N20 S4 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Tan, Ai Lin; Yeo, Sing Chen; Young, David James; Andy Hor, T. S.","Assembly of photoluminescent [CunIn] (n = 4, 6 and 8) clusters by clickable hybrid [N,S] ligands","Inorganic Chemistry Frontiers","2015","2","11","1011","","10.1039/C5QI00030K","","","0.71073","MoKα","","0.0651","0.0564","","","0.146","0.153","","","","","","1.045","","","","has coordinates","233478","2020-10-21","18:00:00",""
"4348904","11.9214","0.0004","16.6064","0.0004","24.9688","0.0007","90","","102.516","0.003","90","","4825.6","0.2","99.99","0.18","99.99","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H21 F20 N5 O3.5 Zn -","- C50.5 H21 F20 N5 O3.5 Zn -","- C202 H84 F80 N20 O14 Zn4 -","4","1","","Yu, Yi; Furuyama, Taniyuki; Tang, Juan; Wu, Zhuo-Yan; Chen, Jia-Zhen; Kobayashi, Nagao; Zhang, Jun-Long","Stable iso-bacteriochlorin mimics from porpholactone: effect of a β-oxazolone moiety on the frontier π-molecular orbitals","Inorganic Chemistry Frontiers","2015","2","7","671","","10.1039/C5QI00054H","","","0.7107","MoKα","","0.1084","0.0913","","","0.2412","0.2522","","","","","","1.145","","","","has coordinates","233480","2020-10-21","18:00:00",""
"4348906","11.748","0.002","11.093","0.001","13.278","0.002","90","0.005","100.963","0.002","90","0.005","1698.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H42 Cl N7 Ni2 O12 -","- C24 H34 Cl N7 Ni2 O12 -","- C48 H68 Cl2 N14 Ni4 O24 -","2","1","","Das, Kuheli; Datta, Amitabha; Nandi, Soumendranath; Mane, Sandeep B.; Mondal, Sudipa; Massera, Chiara; Sinha, Chittaranjan; Hung, Chen-Hsiung; Askun, Tulin; Celikboyun, Pinar; Cantürk, Zerrin; Garribba, Eugenio; Akitsu, Takashiro","A Ni(ii) dinuclear complex bridged by end-on azide-N and phenolate-O atoms: spectral interpretation, magnetism and biological study","Inorganic Chemistry Frontiers","2015","2","8","749","","10.1039/C5QI00060B","","","0.71069","MoKα","","0.0882","0.0543","","","0.1408","0.1641","","","","","","0.991","","","","has coordinates","233482","2020-10-21","18:00:00",""
"4348908","5.5238","0.0002","7.532","0.0003","17.7276","0.0007","90","","90.499","0.002","90","","737.53","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Cu N2 O10 -","- C6 H24 Cu N2 O10 -","- C12 H48 Cu2 N4 O20 -","2","0.5","","Roseiro, Alexandra P. S.; Adão, Pedro; Galvão, Adelino M.; Costa Pessoa, João; Botelho do Rego, Ana M.; Carvalho, M. Fernanda N. N.","Oxygen activation by copper camphor complexes","Inorganic Chemistry Frontiers","2015","2","11","1019","","10.1039/C5QI00064E","","","0.71073","MoKα","","0.034","0.025","","","0.065","0.0684","","","","","","1.043","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348912","13.365","0.0005","22.5332","0.0007","16.1797","0.0006","90","","109.799","0.005","90","","4584.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H41 Dy N2 O6 -","- C55 H41 Dy N2 O6 -","- C220 H164 Dy4 N8 O24 -","4","1","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Li, Guangming","Azacyclo-auxiliary ligand-tuned SMMs of dibenzoylmethane Dy(iii) complexes","Inorganic Chemistry Frontiers","2015","2","9","827","","10.1039/C5QI00079C","","","0.71073","MoKα","","0.0377","0.0268","","","0.0575","0.0622","","","","","","1.024","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348913","30.1199","0.0009","19.6717","0.0007","19.7248","0.0005","90","","97.169","0.003","90","","11595.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H41 Dy N2 O6 -","- C57 H41 Dy N2 O6 -","- C456 H328 Dy8 N16 O48 -","8","2","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Li, Guangming","Azacyclo-auxiliary ligand-tuned SMMs of dibenzoylmethane Dy(iii) complexes","Inorganic Chemistry Frontiers","2015","2","9","827","","10.1039/C5QI00079C","","","0.71073","MoKα","","0.0987","0.0577","","","0.1498","0.1712","","","","","","0.945","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348914","25.036","0.005","19.728","0.005","25.887","0.004","90","","120.839","0.014","90","","10978","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C125 H90 Dy2 N8 O12 -","- C125 H90 Dy2 N8 O12 -","- C500 H360 Dy8 N32 O48 -","4","1","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Li, Guangming","Azacyclo-auxiliary ligand-tuned SMMs of dibenzoylmethane Dy(iii) complexes","Inorganic Chemistry Frontiers","2015","2","9","827","","10.1039/C5QI00079C","","","0.71069","MoKα","","0.0651","0.042","","","0.1219","0.1438","","","","","","1.113","","","","has coordinates","233487","2020-10-21","18:00:00",""
"4348915","12.188","0.005","22.423","0.005","41.216","0.005","90","","100.394","0.009","90","","11079","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H43 Dy N4 O6 -","- C63 H43 Dy N4 O6 -","- C504 H344 Dy8 N32 O48 -","8","2","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Li, Guangming","Azacyclo-auxiliary ligand-tuned SMMs of dibenzoylmethane Dy(iii) complexes","Inorganic Chemistry Frontiers","2015","2","9","827","","10.1039/C5QI00079C","","","0.71069","MoKα","","0.1121","0.0779","","","0.209","0.252","","","","","","1.076","","","","has coordinates","233487","2020-10-21","18:00:00",""
"4348918","5.6339","0.0001","14.1865","0.0004","16.1192","0.0004","90","","91.402","0.002","90","","1287.95","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2,6-Di(pyrazol-1-yl)pyrid-4-yl]methylsulfone","","- C12 H11 N5 O2 S -","- C12 H11 N5 O2 S -","- C48 H44 N20 O8 S4 -","4","1","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.0433","0.036","","","0.0877","0.0925","","","","","","1.058","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348919","54.8011","0.0019","10.6074","0.0003","16.3787","0.0005","90","","90","","90","","9520.9","0.5","280","2","280","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C288 H264 Cl24 Fe12 N120 O96 S24 -","12","1.5","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.1097","0.078","","","0.2019","0.2215","","","","","","1.037","","","","has coordinates,has disorder","233490","2020-10-21","18:00:00",""
"4348920","53.7002","0.0012","10.6448","0.0002","16.3472","0.0003","90","","90","","90","","9344.5","0.3","253","2","253","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C288 H264 Cl24 Fe12 N120 O96 S24 -","12","1.5","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.0925","0.0796","","","0.217","0.2307","","","","","","1.031","","","","has coordinates,has disorder","233490","2020-10-21","18:00:00",""
"4348921","16.3532","0.0004","17.2208","0.0005","21.9658","0.0007","90","","90","","90","","6185.9","0.3","240","2","240","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C192 H176 Cl16 Fe8 N80 O64 S16 -","8","2","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.0904","0.0576","","","0.1432","0.1628","","","","","","1.028","","","","has coordinates,has disorder","233490","2020-10-21","18:00:00",""
"4348922","16.2202","0.0004","17.165","0.0004","21.9195","0.0006","90","","90","","90","","6102.8","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C192 H176 Cl16 Fe8 N80 O64 S16 -","8","2","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.0636","0.0488","","","0.111","0.1198","","","","","","1.037","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348925","11.665","0.003","6.7814","0.0015","48.532","0.011","90","","94.167","0.004","90","","3829","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Cl4 Cu3 N15 O5 -","- C28 H21 Cl4 Cu3 N15 O5 -","- C112 H84 Cl16 Cu12 N60 O20 -","4","1","","Matsumoto, Takuto; Sato, Yamato; Shiga, Takuya; Oshio, Hiroki","Planar copper and nickel triangles with a guanidine-derived ligand","Inorganic Chemistry Frontiers","2015","2","8","725","","10.1039/C5QI00085H","","","0.71073","MoKα","","0.1235","0.0907","","","0.2248","0.2438","","","","","","1.022","","","","has coordinates","233493","2020-10-21","18:00:00",""
"4348926","10.0521","0.0008","11.4299","0.0009","22.6136","0.0018","77.666","0.001","83.379","0.002","83.524","0.002","2510.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H47 B4 F16 N15 Ni3 O7 -","- C34 H40 B4 F16 N15 Ni3 O7 -","- C68 H80 B8 F32 N30 Ni6 O14 -","2","1","","Matsumoto, Takuto; Sato, Yamato; Shiga, Takuya; Oshio, Hiroki","Planar copper and nickel triangles with a guanidine-derived ligand","Inorganic Chemistry Frontiers","2015","2","8","725","","10.1039/C5QI00085H","","","0.71073","MoKα","","0.1123","0.0861","","","0.2075","0.2276","","","","","","1.058","","","","has coordinates","233493","2020-10-21","18:00:00",""
"4348928","19.6524","0.0006","14.4247","0.0003","13.6567","0.0004","90","","106.958","0.004","90","","3703.07","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 N4 O12 S3 Zn2 -","- C36 H30 N4 O12 S3 Zn2 -","- C144 H120 N16 O48 S12 Zn8 -","4","0.5","","Neuman, Nicolás I.; Burna, Emerson; Baggio, Ricardo; Passeggi, Mario C. G.; Rizzi, Alberto C.; Brondino, Carlos D.","Transition from isolated to interacting copper(ii) pairs in extended lattices evaluated by single crystal EPR spectroscopy","Inorganic Chemistry Frontiers","2015","2","9","837","","10.1039/C5QI00086F","","","0.71073","MoKα","","0.0371","0.0276","","","0.0648","0.069","","","","","","1.044","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348929","12.4879","0.0003","13.3816","0.0004","15.6598","0.0006","100.987","0.002","90.592","0.002","107.459","0.002","2444.19","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H19 Dy F18 N2 O10 S6 -","- C35 H19 Dy F18 N2 O10 S6 -","- C70 H38 Dy2 F36 N4 O20 S12 -","2","1","","Soussi, K.; Jung, J.; Pointillart, F.; Le Guennic, B.; Lefeuvre, B.; Golhen, S.; Cador, O.; Guyot, Y.; Maury, O.; Ouahab, L.","Magnetic and photo-physical investigations into DyIII and YbIII complexes involving tetrathiafulvalene ligand","Inorganic Chemistry Frontiers","2015","2","12","1105","","10.1039/C5QI00087D","","","0.71073","MoKα","","0.077","0.0481","","","0.1229","0.1478","","","","","","1.057","","","","has coordinates","233496","2020-10-21","18:00:00",""
"4348930","10.4634","0.0008","12.1092","0.001","23.9781","0.0018","77.004","0.002","86.822","0.002","74.808","0.002","2856.8","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C45.41 H30.54 Cl2.82 Dy F9 N2 O10 S9 -","- C45.41 H30.54 Cl2.82 Dy F9 N2 O10 S9 -","- C90.82 H61.08 Cl5.64 Dy2 F18 N4 O20 S18 -","2","1","","Soussi, K.; Jung, J.; Pointillart, F.; Le Guennic, B.; Lefeuvre, B.; Golhen, S.; Cador, O.; Guyot, Y.; Maury, O.; Ouahab, L.","Magnetic and photo-physical investigations into DyIII and YbIII complexes involving tetrathiafulvalene ligand","Inorganic Chemistry Frontiers","2015","2","12","1105","","10.1039/C5QI00087D","","","0.71073","MoKα","","0.1516","0.0882","","","0.2008","0.2413","","","","","","1.081","","","","has coordinates,has disorder","233496","2020-10-21","18:00:00",""
"4348931","10.4473","0.0003","12.0946","0.0004","23.9969","0.0007","76.501","0.001","86.028","0.001","74.747","0.001","2844.42","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H32 Cl4 F9 N2 O10 S9 Yb -","- C46 H32 Cl4 F9 N2 O10 S9 Yb -","- C92 H64 Cl8 F18 N4 O20 S18 Yb2 -","2","1","","Soussi, K.; Jung, J.; Pointillart, F.; Le Guennic, B.; Lefeuvre, B.; Golhen, S.; Cador, O.; Guyot, Y.; Maury, O.; Ouahab, L.","Magnetic and photo-physical investigations into DyIII and YbIII complexes involving tetrathiafulvalene ligand","Inorganic Chemistry Frontiers","2015","2","12","1105","","10.1039/C5QI00087D","","","0.71073","MoKα","","0.0439","0.0387","","","0.1033","0.1187","","","","","","1.191","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348932","13.2244","0.0003","12.1843","0.0004","15.3079","0.0004","90","","107.908","0.002","90","","2347.06","0.12","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 N2 O5 S6 -","- C20 H16 N2 O5 S6 -","- C80 H64 N8 O20 S24 -","4","1","","Soussi, K.; Jung, J.; Pointillart, F.; Le Guennic, B.; Lefeuvre, B.; Golhen, S.; Cador, O.; Guyot, Y.; Maury, O.; Ouahab, L.","Magnetic and photo-physical investigations into DyIII and YbIII complexes involving tetrathiafulvalene ligand","Inorganic Chemistry Frontiers","2015","2","12","1105","","10.1039/C5QI00087D","","","0.71073","MoKα","","0.0798","0.0509","","","0.1327","0.1519","","","","","","1.025","","","","has coordinates","233496","2020-10-21","18:00:00",""
"4348938","26.164","0.005","10.106","0.002","19.468","0.004","90","","125.82","0.03","90","","4174","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 Co3 N6 O12 S2 -","- C30 H50 Co3 N6 O12 S2 -","- C120 H200 Co12 N24 O48 S8 -","4","0.5","","Shin, Jong Won; Jeong, Ah Rim; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Synthesis, structure, and magnetic properties of dicopper and tricobalt complexes based on N-(2-pyridylmethyl)iminodiethanol","Inorganic Chemistry Frontiers","2015","2","8","763","","10.1039/C5QI00088B","","","0.70001","synchrotron","","0.0851","0.0711","","","0.222","0.2345","","","","","","1.073","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348939","17.4759","0.0012","9.7067","0.0006","16.4929","0.0011","90","","92.448","0.002","90","","2795.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cu2 N7 O13 -","- C20 H31 Cu2 N7 O13 -","- C80 H124 Cu8 N28 O52 -","4","1","","Shin, Jong Won; Jeong, Ah Rim; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Synthesis, structure, and magnetic properties of dicopper and tricobalt complexes based on N-(2-pyridylmethyl)iminodiethanol","Inorganic Chemistry Frontiers","2015","2","8","763","","10.1039/C5QI00088B","","","0.71073","MoKα","","0.1102","0.0545","","","0.1157","0.1705","","","","","","1.12","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348940","8.5081","0.0018","11.345","0.002","24.713","0.005","76.947","0.003","87.749","0.003","85.552","0.003","2316.2","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","C43H55FN9O11S2","","","- C43 H55 Fe N9 O11 S2 -","- C43 H55 Fe N9 O11 S2 -","- C86 H110 Fe2 N18 O22 S4 -","2","1","","Shao, Dong; Zhao, Xin-Hua; Zhang, Shao-Liang; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Structural and magnetic tuning from a field-induced single-ion magnet to a single-chain magnet by anions","Inorganic Chemistry Frontiers","2015","2","9","846","","10.1039/C5QI00089K","","","0.71073","MoKα","","0.0846","0.0688","","","0.1836","0.1959","","","","","","1.01","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348941","12.7854","0.001","10.5316","0.0009","24.534","0.002","90","","97.816","0.001","90","","3272.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C28H37FeN7O8S","","","- C28 H37 Fe N7 O8 S -","- C28 H37 Fe N7 O8 S -","- C112 H148 Fe4 N28 O32 S4 -","4","1","","Shao, Dong; Zhao, Xin-Hua; Zhang, Shao-Liang; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Structural and magnetic tuning from a field-induced single-ion magnet to a single-chain magnet by anions","Inorganic Chemistry Frontiers","2015","2","9","846","","10.1039/C5QI00089K","","","0.71073","MoKα","","0.0884","0.0586","","","0.1537","0.178","","","","","","1.028","","","","has coordinates","233499","2020-10-21","18:00:00",""
"4348944","16.9996","0.001","16.9996","0.001","13.1497","0.0008","90","","90","","90","","3800.1","0.4","200","2","200","2","","","","","","","","6","P 4 2 2","P 4 2","89","","","","- C96 H112 Cu8 Dy4 N16 O40 -","- C96 H112 Cu8 Dy4 N16 O40 -","- C96 H112 Cu8 Dy4 N16 O40 -","1","0.125","","Joarder, Biplab; Mukherjee, Soumya; Patil, Mahendra; Xue, Shufang; Tang, Jinkui; Ghosh, Sujit K.","Chiral biomolecule based dodecanuclear dysprosium(iii)‒copper(ii) clusters: structural analyses and magnetic properties","Inorganic Chemistry Frontiers","2015","2","9","854","","10.1039/C5QI00090D","","","0.71073","MoKα","","0.1087","0.1045","","","0.3538","0.3586","","","","","","1.636","","","","has coordinates","233501","2020-10-21","18:00:00",""
"4348946","13.524","0.002","16.287","0.003","20.967","0.003","100.901","0.008","103.304","0.008","99.809","0.008","4301.3","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H234 Br6 N12 O21 Pd3 -","- C144 H228 Br6 N12 O21 Pd3 -","- C144 H228 Br6 N12 O21 Pd3 -","1","0.5","","Fortea-Pérez, Francisco Ramón; Rothenpieler, Berit L.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Bis(N-substituted oxamate)palladate(ii) complexes as effective catalysts for sustainable Heck carbon‒carbon coupling reactions in n-Bu4NBr as the solvent","Inorganic Chemistry Frontiers","2015","2","11","1029","","10.1039/C5QI00093A","","","0.71073","MoKα","","0.1243","0.0599","","","0.175","0.2121","","","","","","1.016","","","","has coordinates,has disorder","233503","2020-10-21","18:00:00",""
"4348947","9.7928","0.0005","16.3297","0.0008","16.0978","0.0008","90","","95.392","0.002","90","","2562.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H86 N4 O8 Pd -","- C50 H86 N4 O8 Pd -","- C100 H172 N8 O16 Pd2 -","2","0.5","","Fortea-Pérez, Francisco Ramón; Rothenpieler, Berit L.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Bis(N-substituted oxamate)palladate(ii) complexes as effective catalysts for sustainable Heck carbon‒carbon coupling reactions in n-Bu4NBr as the solvent","Inorganic Chemistry Frontiers","2015","2","11","1029","","10.1039/C5QI00093A","","","0.71073","MoKα","","0.0453","0.0329","","","0.083","0.0956","","","","","","1.21","","","","has coordinates","233503","2020-10-21","18:00:00",""
"4348949","13.433","0.002","17.068","0.003","16.695","0.002","90","","105.208","0.007","90","","3693.7","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tb-6bpyNO","","- C29 H19 F18 N3 O7 Tb -","- C29 H19 F18 N3 O7 Tb -","- C116 H76 F72 N12 O28 Tb4 -","4","1","","Kanetomo, Takuya; Yoshii, Shunsuke; Nojiri, Hiroyuki; Ishida, Takayuki","Single-molecule magnet involving strong exchange coupling in terbium(iii) complex with 2,2′-bipyridin-6-yl tert-butyl nitroxide","Inorganic Chemistry Frontiers","2015","2","9","860","","10.1039/C5QI00098J","","","0.71073","MoKα","","","0.0424","","","","0.053","","","","","","1.098","","","","has coordinates","233505","2020-10-21","18:00:00",""
"4348950","13.392","0.002","17.074","0.003","16.648","0.002","90","","105.114","0.007","90","","3675","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Y-6bpyNO","","- C29 H19 F18 N3 O7 Y -","- C29 H19 F18 N3 O7 Y -","- C116 H76 F72 N12 O28 Y4 -","4","1","","Kanetomo, Takuya; Yoshii, Shunsuke; Nojiri, Hiroyuki; Ishida, Takayuki","Single-molecule magnet involving strong exchange coupling in terbium(iii) complex with 2,2′-bipyridin-6-yl tert-butyl nitroxide","Inorganic Chemistry Frontiers","2015","2","9","860","","10.1039/C5QI00098J","","","0.71073","MoKα","","","0.0633","","","","0.0855","","","","","","1.037","","","","has coordinates","233505","2020-10-21","18:00:00",""
"4348951","13.456","0.003","17.13","0.003","16.654","0.003","90","","105.46","0.008","90","","3699.9","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tb-6bpyCO","","- C30 H19 F18 N2 O7 Tb -","- C30 H19 F18.002 N2 O7 Tb -","- C120 H76 F72.008 N8 O28 Tb4 -","4","1","","Kanetomo, Takuya; Yoshii, Shunsuke; Nojiri, Hiroyuki; Ishida, Takayuki","Single-molecule magnet involving strong exchange coupling in terbium(iii) complex with 2,2′-bipyridin-6-yl tert-butyl nitroxide","Inorganic Chemistry Frontiers","2015","2","9","860","","10.1039/C5QI00098J","","","0.71073","MoKα","","","0.034","","","","0.0434","","","","","","1.077","","","","has coordinates","233505","2020-10-21","18:00:00",""
"4348953","23.069","0.004","14.583","0.002","26.542","0.006","90","","97.276","0.002","90","","8857","3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C78 H79 F13 N6 O14 Pt2 S4 -","- C78 H79 F13 N6 O14 Pt2 S4 -","- C312 H316 F52 N24 O56 Pt8 S16 -","4","0.5","","DeMott, Jessica C.; Dekarske, John R.; McCulloch, Billy J.; Ozerov, Oleg V.","Cyclometallation of the NNN pincer ligand in complexes of platinum","Inorganic Chemistry Frontiers","2015","2","10","912","","10.1039/C5QI00102A","","","0.71073","MoKα","","0.0386","0.0289","","","0.0754","0.0816","","","","","","1.054","","","","has coordinates,has disorder","233507","2020-10-21","18:00:00",""
"4348954","12.8","0.007","19.274","0.01","15.618","0.008","90","","97.622","0.009","90","","3819","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 F3 N3 O4 Pt S -","- C41 H42 F3 N3 O4 Pt S -","- C164 H168 F12 N12 O16 Pt4 S4 -","4","1","","DeMott, Jessica C.; Dekarske, John R.; McCulloch, Billy J.; Ozerov, Oleg V.","Cyclometallation of the NNN pincer ligand in complexes of platinum","Inorganic Chemistry Frontiers","2015","2","10","912","","10.1039/C5QI00102A","","","0.71073","MoKα","","0.1039","0.054","","","0.1128","0.1368","","","","","","1","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348955","8.062","0.004","13.212","0.006","15.156","0.007","106.698","0.005","104.862","0.005","91.891","0.005","1484.6","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 Pt -","- C34 H33 N3 Pt -","- C68 H66 N6 Pt2 -","2","1","","DeMott, Jessica C.; Dekarske, John R.; McCulloch, Billy J.; Ozerov, Oleg V.","Cyclometallation of the NNN pincer ligand in complexes of platinum","Inorganic Chemistry Frontiers","2015","2","10","912","","10.1039/C5QI00102A","","","0.71073","MoKα","","0.047","0.0393","","","0.09","0.0946","","","","","","1.018","","","","has coordinates","233507","2020-10-21","18:00:00",""
"4348958","11.0039","0.0006","45.083","0.003","11.3568","0.0007","90","","105.098","0.004","90","","5439.5","0.6","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 F12 N6 Ni O4 -","- C52 H62 F12 N6 Ni O4 -","- C208 H248 F48 N24 Ni4 O16 -","4","1","","Mori, Koya; Eguchi, Rumi; Karasawa, Satoru; Koga, Noboru","Diazopyridine–Ni(ii) complexes exhibiting intra-chain ferromagnetic interaction after irradiation: formation of magnetic gel","Inorganic Chemistry Frontiers","2015","2","10","917","","10.1039/C5QI00109A","","","1.54187","CuKα","","","0.0762","","","","0.1895","","","","","","1.022","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348961","12.34","0.002","12.34","0.002","22.852","0.004","90","","90","","90","","3479.8","1","110","","110","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","FeTCNQ(4,4'-bpy)_aniline","Iron(II) tetracyanoquinodimethane 4,4'-bipyridyl aniline","","- C34 H26 Fe N8 -","- C34 H26 Fe N8 -","- C136 H104 Fe4 N32 -","4","0.125","","Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.","Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions","Inorganic Chemistry Frontiers","2015","2","10","904","","10.1039/C5QI00128E","","","0.71073","MoKα","","0.0883","0.0772","","","0.2003","0.2258","","","","","","1.192","","","","has coordinates,has disorder","233513","2020-10-21","18:00:00",""
"4348962","12.358","0.0006","12.358","0.0006","22.9288","0.0015","90","","90","","90","","3501.7","0.3","100","","100","","","","","","","","","4","I 4/m c m","-I 4 2c","140","FeTCNQ(4,4'-bpy)_benzene","Iron(II) tetracyanoquinodimethane 4,4'-bipyridyl benzene","","- C42 H32 Fe N6 -","- C42 H32 Fe N6 -","- C168 H128 Fe4 N24 -","4","0.125","","Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.","Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions","Inorganic Chemistry Frontiers","2015","2","10","904","","10.1039/C5QI00128E","","x-ray","0.41328","","","0.0757","0.0638","","","0.1813","0.2258","","","","","","0.969","","","","has coordinates,has disorder","233513","2020-10-21","18:00:00",""
"4348963","12.3673","0.0003","12.3673","0.0003","22.9031","0.0006","90","","90","","90","","3503.03","0.15","100","","100","","","","","","","","","4","I 4/m c m","-I 4 2c","140","Fe(TCNQ)(4,4'-bpy)_toluene","Iron(II) tetracyanoquinodimethane 4,4'-bipyridyl toluene","","- C36 H28 Fe N6 -","- C36 H28 Fe N6 -","- C144 H112 Fe4 N24 -","4","0.125","","Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.","Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions","Inorganic Chemistry Frontiers","2015","2","10","904","","10.1039/C5QI00128E","","x-ray","0.41328","","","0.0609","0.0592","","","0.1632","0.1676","","","","","","1.122","","","","has coordinates,has disorder","233513","2020-10-21","18:00:00",""
"4348964","7.3351","0.0015","8.8483","0.0018","11.466","0.002","82.2","0.03","89.3","0.03","68.41","0.03","685","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","Fe(TCNQ)(DMF)2","Iron tetracyanoquinodimethane N,N-dimethylformamide","","- C24 H32 Fe N8 O4 -","- C24 H32 Fe N8 O4 -","- C24 H32 Fe N8 O4 -","1","0.5","","Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.","Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions","Inorganic Chemistry Frontiers","2015","2","10","904","","10.1039/C5QI00128E","","","0.71073","MoKα","","0.1059","0.0887","","","0.2517","0.268","","","","","","1.0525","","","","has coordinates","233513","2020-10-21","18:00:00",""
"4348966","13.9687","0.0006","13.0219","0.0006","24.2144","0.0011","90","","90.893","0.001","90","","4404","0.3","92","2","92","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28.75 H33.5 N2 Ni3 O24 Yb -","- C28.75 H33.5 N2 Ni3 O24 Yb -","- C115 H134 N8 Ni12 O96 Yb4 -","4","1","","Feltham, Humphrey L. C.; Dhers, Sébastien; Rouzières, Mathieu; Clérac, Rodolphe; Powell, Annie K.; Brooker, Sally","A family of fourteen soluble stable macrocyclic [NiII3LnIII] heterometallic 3d‒4f complexes","Inorganic Chemistry Frontiers","2015","2","11","982","","10.1039/C5QI00130G","","","0.71073","MoKα","","0.0633","0.056","","","0.1492","0.1524","","","","","","1.169","","","","has coordinates,has disorder","233515","2020-10-21","18:00:00",""
"4348967","14.005","0.0011","13.0327","0.0011","24.2807","0.0019","90","","90.976","0.004","90","","4431.1","0.6","92","2","92","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Dy N2 Ni3 O24 -","- C30 H36 Dy N2 Ni3 O24 -","- C120 H144 Dy4 N8 Ni12 O96 -","4","1","","Feltham, Humphrey L. C.; Dhers, Sébastien; Rouzières, Mathieu; Clérac, Rodolphe; Powell, Annie K.; Brooker, Sally","A family of fourteen soluble stable macrocyclic [NiII3LnIII] heterometallic 3d–4f complexes","Inorganic Chemistry Frontiers","2015","2","11","982","","10.1039/C5QI00130G","","","0.71073","MoKα","","0.0478","0.0448","","","0.1008","0.102","","","","","","1.161","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348969","15.4368","0.0013","18.1268","0.0007","13.4833","0.0008","90","","119.572","0.008","90","","3281.4","0.4","80","2","80","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H30 Cl3 Eu N8 O6 -","- C28 H30 Cl3 Eu N8 O6 -","- C112 H120 Cl12 Eu4 N32 O24 -","4","1","","Shu, Yu-Bo; Liu, Wei-Sheng","A bis(1H-pyridin-2-one)salen Eu(iii) complex for vapoluminescence sensing","Inorganic Chemistry Frontiers","2015","2","10","927","","10.1039/C5QI00134J","","","1.54178","CuKα","","0.0672","0.0601","","","0.1379","0.1437","","","","","","1.022","","","","has coordinates","233517","2020-10-21","18:00:00",""
"4348972","21.2466","0.0016","7.944","0.0006","15.8517","0.0012","90","","124.669","0.001","90","","2200.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H23 Ag Cl N7 O6 -","- C17 H23 Ag Cl N7 O6 -","- C68 H92 Ag4 Cl4 N28 O24 -","4","0.5","","Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.","Isoreticular synthesis of 2D MOFs with rotating aryl rings","Inorganic Chemistry Frontiers","2015","2","11","1001","","10.1039/C5QI00135H","","","0.71073","MoKα","","0.0185","0.0179","","","0.0442","0.0445","","","","","","1.049","","","","has coordinates","233520","2020-10-21","18:00:00",""
"4348973","28.682","0.017","7.981","0.005","29.94","0.018","90","","103.6","0.007","90","","6661","7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Ag Cl N9 O7 -","- C30 H16 Ag Cl N9 O7 -","- C240 H128 Ag8 Cl8 N72 O56 -","8","1","","Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.","Isoreticular synthesis of 2D MOFs with rotating aryl rings","Inorganic Chemistry Frontiers","2015","2","11","1001","","10.1039/C5QI00135H","","","0.71073","MoKα","","0.181","0.1321","","","0.3117","0.3464","","","","","","1.07","","","","has coordinates","233520","2020-10-21","18:00:00",""
"4348974","23.95","0.004","7.2064","0.0011","18.712","0.003","90","","123.58","0.003","90","","2690.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H16 Cl Cu N6 O4 -","- C18 H16 Cl Cu N6 O4 -","- C72 H64 Cl4 Cu4 N24 O16 -","4","0.5","","Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.","Isoreticular synthesis of 2D MOFs with rotating aryl rings","Inorganic Chemistry Frontiers","2015","2","11","1001","","10.1039/C5QI00135H","","","0.71073","MoKα","","0.0918","0.0792","","","0.2363","0.2507","","","","","","1.121","","","","has coordinates","233520","2020-10-21","18:00:00",""
"4348975","30.13","0.06","7.841","0.011","15.831","0.019","90","","121.48","","90","","3190","9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C23 H25 Ag Cl N7 O5 -","- C23 H25 Ag Cl N7 O5 -","- C92 H100 Ag4 Cl4 N28 O20 -","4","0.5","","Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.","Isoreticular synthesis of 2D MOFs with rotating aryl rings","Inorganic Chemistry Frontiers","2015","2","11","1001","","10.1039/C5QI00135H","","","0.71073","MoKα","","0.1955","0.1449","","","0.3884","0.4073","","","","","","1.342","","","","has coordinates","233520","2020-10-21","18:00:00",""
"4348976","24.851","0.016","7.517","0.005","16.975","0.011","90","","130.638","0.006","90","","2406","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H14 Cl Cu N6 O4 -","- C16 H14 Cl Cu N6 O4 -","- C64 H56 Cl4 Cu4 N24 O16 -","4","1","","Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.","Isoreticular synthesis of 2D MOFs with rotating aryl rings","Inorganic Chemistry Frontiers","2015","2","11","1001","","10.1039/C5QI00135H","","","0.71073","MoKα","","0.1335","0.1092","","","0.2995","0.3255","","","","","","1.225","","","","has coordinates","233520","2020-10-21","18:00:00",""
"4348979","30.4012","0.0017","30.4012","0.0017","23.676","0.003","90","","90","","90","","21882","3","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C110 H128 Cu4 Gd N5 O16 -","- C110 H48 Cu4 Gd N5 O16 -","- C880 H384 Cu32 Gd8 N40 O128 -","8","1","","Richardson, Paul; Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","‘All three-in-one’: ferromagnetic interactions, single-molecule magnetism and magnetocaloric properties in a new family of [Cu4Ln] (LnIII = Gd, Tb, Dy) clusters","Inorganic Chemistry Frontiers","2015","2","10","945","","10.1039/C5QI00146C","","","0.71073","MoKα","","0.0784","0.0644","","","0.1536","0.1623","","","","","","1.077","","","","has coordinates,has disorder","233523","2020-10-21","18:00:00",""
"4348980","30.3009","0.0019","30.3009","0.0019","23.5735","0.0015","90","","90","","90","","21644","2","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C110 H128 Cu4 N5 O16 Tb -","- C110 H48 Cu4 N5 O16 Tb -","- C880 H384 Cu32 N40 O128 Tb8 -","8","1","","Richardson, Paul; Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","‘All three-in-one’: ferromagnetic interactions, single-molecule magnetism and magnetocaloric properties in a new family of [Cu4Ln] (LnIII = Gd, Tb, Dy) clusters","Inorganic Chemistry Frontiers","2015","2","10","945","","10.1039/C5QI00146C","","","0.71073","MoKα","","0.0788","0.0612","","","0.151","0.1641","","","","","","1.06","","","","has coordinates","233523","2020-10-21","18:00:00",""
"4348992","17.797","0.0004","18.4077","0.0006","18.4319","0.0005","61.52","0.003","66.702","0.003","78.02","0.002","4873.5","0.3","153","10","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C172 H188 Mn11 N15 O64 S18 Tb4 -","- C146 H144 Mn11 N2 O64 S18 Tb4 -","- C146 H144 Mn11 N2 O64 S18 Tb4 -","1","0.5","","Schmitz, Sebastian; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul; Monakhov, Kirill Yu.","A thioether-decorated {Mn11Tb4} coordination cluster with slow magnetic relaxation","Inorganic Chemistry Frontiers","2015","2","12","1095","","10.1039/C5QI00172B","","","0.71073","MoKα","","0.1662","0.0839","","","0.2161","0.2961","","","","","","0.909","","","","has coordinates","233532","2020-10-21","18:00:00",""
"4500081","17.1641","0.0002","17.1641","0.0002","7.2676","0.0001","90","","90","","90","","2141.08","0.05","226","","226","","","","","","","","Synthesized by the authors. See text","4","I 41/a :2","-I 4ad","88","Tetrakis(3-hydroxyphenyl)silane","","","- C24 H20 O4 Si -","- C24 H20 O4 Si -","- C96 H80 O16 Si4 -","4","0.25","","Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Cryst. Growth & Design","2003","2","","535","540","","","","1.5418","CuKα","","0.0446","0.0445","","","0.1319","0.1321","","","","","","1.157","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500082","10.243","0.004","15.673","0.006","15.412","0.008","90","","100.86","0.04","90","","2429.9","1.9","223","2","223","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","Tetrakis(4-hydroxyphenyl)methane - ethyl acetate clathrate","","","- C29 H28 O6 -","- C29 H28 O6 -","- C116 H112 O24 -","4","1","","Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Cryst. Growth & Design","2003","2","","535","540","","","","1.54178","CuKα","","0.0715","0.0584","","","0.174","0.1835","","","","","","1.117","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4500083","14.962","0.009","15.855","0.011","19.697","0.013","90","","111.49","0.05","90","","4348","5","210","2","210","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","tetrakis(4-hydroxyphenyl)silane - water clathrate","","","- C24 H22 O5 Si -","- C24 H22 O5 Si -","- C192 H176 O40 Si8 -","8","1","","Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Cryst. Growth & Design","2003","2","","535","540","","","","1.54178","CuKα","","0.121","0.0784","","","0.1879","0.2049","","","","","","1.064","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4501473","10.9918","0.0008","13.0925","0.0009","20.357","0.0013","90","","90","","90","","2929.6","0.3","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 F N6 O9 P -","- C24 H34 F N6 O9 P -","- C96 H136 F4 N24 O36 P4 -","4","1","","Chang, Wonsuk; Bao, Donghui; Chun, Byoung-Kwon; Naduthambi, Devan; Nagarathnam, Dhanapalan; Rachakonda, Suguna; Reddy, P. Ganapati; Ross, Bruce S.; Zhang, Hai-Ren; Bansal, Shalini; Espiritu, Christine L.; Keilman, Meg; Lam, Angela M.; Niu, Congrong; Steuer, Holly Micolochick; Furman, Phillip A.; Otto, Michael J.; Sofia, Michael J.","Discovery of PSI-353661, a Novel Purine Nucleotide Prodrug for the Treatment of HCV Infection","ACS Medicinal Chemistry Letters","2011","2","2","130","","10.1021/ml100209f","","","0.71073","MoKα","","0.0259","0.0244","","","0.0657","0.0669","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501474","13.378","0.003","6.5197","0.0012","22.033","0.004","90","","93.028","0.003","90","","1919","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","09047b","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","2","","Leighty, Matthew W.; Georg, Gunda I.","Total Syntheses and Cytotoxicity of (R)- and (S)-Boehmeriasin A.","ACS medicinal chemistry letters","2011","2","4","313","315","10.1021/ml1003074","","","0.71073","MoKα","","0.0617","0.0428","","","0.1058","0.1185","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4503881","23.435","0.01","23.435","0.01","8.13","0.003","90","","90","","90","","4465","3","293","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- C42 H24 Br I22 S24 -","- C42 H24 Br I22 S24 -","- C84 H48 Br2 I44 S48 -","2","0.125","","Yamamoto, Hiroshi M.; Kosaka, Yosuke; Maeda, Ryoko; Yamaura, Jun-ichi; Nakao, Akiko; Nakamura, Toshikazu; Kato, Reizo","Supramolecular insulating networks sheathing conducting nanowires based on organic radical cations.","ACS nano","2008","2","1","143","155","10.1021/nn700035t","","","0.7107","MoKα","","","0.088","","","","0.295","","","","","","1.65","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503882","23.825","0.008","23.825","0.008","8.088","0.003","90","","90","","90","","4591","3","293","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- C42 H24 I23 S16 Se8 -","- C42 H24 I23 S16 Se8 -","- C84 H48 I46 S32 Se16 -","2","0.125","","Yamamoto, Hiroshi M.; Kosaka, Yosuke; Maeda, Ryoko; Yamaura, Jun-ichi; Nakao, Akiko; Nakamura, Toshikazu; Kato, Reizo","Supramolecular insulating networks sheathing conducting nanowires based on organic radical cations.","ACS nano","2008","2","1","143","155","10.1021/nn700035t","","","0.7107","MoKα","","","0.0971","","","","0.2128","","","","","","1.172","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503883","23.389","0.004","23.389","0.004","7.995","0.001","90","","90","","90","","4373.6","1.2","293","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- C38 H16 Br I22 S24 -","- C38 H16 Br I22 S24 -","- C76 H32 Br2 I44 S48 -","2","0.125","","Yamamoto, Hiroshi M.; Kosaka, Yosuke; Maeda, Ryoko; Yamaura, Jun-ichi; Nakao, Akiko; Nakamura, Toshikazu; Kato, Reizo","Supramolecular insulating networks sheathing conducting nanowires based on organic radical cations.","ACS nano","2008","2","1","143","155","10.1021/nn700035t","","","0.7107","MoKα","","","0.092","","","","0.252","","","","","","1.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503884","14.322","0.001","22.811","0.002","7.923","0.0007","90","","90","","90","","2588.4","0.4","293","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C15 H12 Cl I6 Se4 -","- C15 H24 Cl I6 Se4 -","- C60 H96 Cl4 I24 Se16 -","4","0.5","","Yamamoto, Hiroshi M.; Kosaka, Yosuke; Maeda, Ryoko; Yamaura, Jun-ichi; Nakao, Akiko; Nakamura, Toshikazu; Kato, Reizo","Supramolecular insulating networks sheathing conducting nanowires based on organic radical cations.","ACS nano","2008","2","1","143","155","10.1021/nn700035t","","","0.7107","MoKα","","","0.0636","","","","0.158","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503885","10.596","0.006","17.69","0.01","7.784","0.004","98.066","0.006","94.176","0.01","100.044","0.008","1415.4","1.3","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 Cl F4 I4 S16 -","- C44 H28 Cl F4 I4 S16 -","- C44 H28 Cl F4 I4 S16 -","1","0.5","","Yamamoto, Hiroshi M.; Kosaka, Yosuke; Maeda, Ryoko; Yamaura, Jun-ichi; Nakao, Akiko; Nakamura, Toshikazu; Kato, Reizo","Supramolecular insulating networks sheathing conducting nanowires based on organic radical cations.","ACS nano","2008","2","1","143","155","10.1021/nn700035t","","","0.7107","MoKα","","","0.0502","","","","0.1826","","","","","","2.333","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503886","20.159","0.004","4.073","0.001","20.481","0.004","90","","108.75","0.01","90","","1592.4","0.6","293","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H4 Cl F6 I4 Se4 -","- C26 H4 Cl F6 I4 Se4 -","- C52 H8 Cl2 F12 I8 Se8 -","2","0.5","","Yamamoto, Hiroshi M.; Kosaka, Yosuke; Maeda, Ryoko; Yamaura, Jun-ichi; Nakao, Akiko; Nakamura, Toshikazu; Kato, Reizo","Supramolecular insulating networks sheathing conducting nanowires based on organic radical cations.","ACS nano","2008","2","1","143","155","10.1021/nn700035t","","","0.7107","MoKα","","","0.0442","","","","0.1313","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503887","20.0403","0.0011","20.0403","0.0011","21.4606","0.0012","90","","90","","90","","8618.9","0.8","123","2","123","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C52 H40 I8 O14 Si8 -","- C48 H32 I8 O12 Si8 -","- C192 H128 I32 O48 Si32 -","4","0.25","","Roll, Mark F.; Asuncion, Michael Z.; Kampf, Jeffrey; Laine, Richard M.","para-Octaiodophenylsilsesquioxane, [p-IC6H4SiO(1.5)]8, a nearly perfect nano-building block.","ACS nano","2008","2","2","320","326","10.1021/nn700196d","","","0.71073","MoKα","","0.0915","0.074","","","0.2186","0.2302","","","","","","1.134","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4505631","14.0495","0.0019","9.9391","0.0014","17.681","0.002","90","","110.777","0.002","90","","2308.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Br4 N4 Ni2 -","- C48 H56 Br4 N4 Ni2 -","- C96 H112 Br8 N8 Ni4 -","2","0.5","","Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing","Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization","ACS Catalysis","2012","2","3","433","","10.1021/cs200593c","","","0.71073","MoKα","","0.0487","0.0289","","","0.0634","0.0713","","","","","","1.056","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505632","18.146","0.003","12.048","0.002","18.386","0.003","90","","119.14","0.003","90","","3510.9","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Br2 Cl4 N2 Ni O -","- C27 H33 Br2 Cl4 N2 Ni O -","- C108 H132 Br8 Cl16 N8 Ni4 O4 -","4","1","","Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing","Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization","ACS Catalysis","2012","2","3","433","","10.1021/cs200593c","","","0.71073","MoKα","","0.111","0.0708","","","0.1924","0.2198","","","","","","1.115","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505633","11.7518","0.0017","10.9119","0.0016","18.5929","0.0019","90","","128.486","0.006","90","","1866.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Br2 N4 Ni -","- C38 H52 Br2 N4 Ni -","- C76 H104 Br4 N8 Ni2 -","2","0.5","","Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing","Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization","ACS Catalysis","2012","2","3","433","","10.1021/cs200593c","","","0.71073","MoKα","","0.0699","0.0381","","","0.0898","0.104","","","","","","1.023","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505634","9.806","0.002","12.76","0.006","15.657","0.006","90","","102.62","0.03","90","","1911.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 I N O5 S -","- C18 H20 I N O5 S -","- C72 H80 I4 N4 O20 S4 -","4","1","","Guilbault, Audrey-Anne; Legault, Claude Y.","Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist","ACS Catalysis","2012","2","2","219","","10.1021/cs200612s","","","0.71073","MoKα","","0.1051","0.0535","","","0.112","0.1251","","","","","","1.04","","","","has coordinates,has disorder","301842","2025-08-21","00:37:16",""
"4505635","7.172","0.003","7.921","0.003","33.699","0.008","90","","93.67","0.03","90","","1910.5","1.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 I N O5 S -","- C19 H22 I N O5 S -","- C76 H88 I4 N4 O20 S4 -","4","1","","Guilbault, Audrey-Anne; Legault, Claude Y.","Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist","ACS Catalysis","2012","2","2","219","","10.1021/cs200612s","","","0.71073","MoKα","","0.1389","0.0689","","","0.1435","0.1635","","","","","","0.992","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505761","14.5219","0.0009","16.7635","0.001","9.6313","0.0006","90","","105.455","0.002","90","","2259.8","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,15-diphenylporphyrin","","- C32 H22 N4 -","- C32 H22 N4 -","- C128 H88 N16 -","4","1","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.6893","synchrotron","","0.0632","0.0493","","","0.1278","0.1317","","","","","","1.05","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505762","18.1798","0.0006","13.6747","0.0005","10.6943","0.0004","90","","99.238","0.001","90","","2624.16","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,15-diphenylporphyrin, dichloromethane solvate (1/1)","","- C33 H24 Cl2 N4 -","- C33 H24 Cl2 N4 -","- C132 H96 Cl8 N16 -","4","1","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.6893","synchrotron","","0.0588","0.0503","","","0.1297","0.1335","","","","","","1.042","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505763","8.6155","0.0005","15.7605","0.001","13.1152","0.0009","90","","104.238","0.002","90","","1726.14","0.19","180","2","180","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","5,15-diphenyl-2,8,12,18-tetraethyl-3,7,13,17-tetramethylporphyrin, alpha form","","- C44 H46 N4 -","- C44 H46 N4 -","- C88 H92 N8 -","2","0.25","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.6904","synchrotron","","0.0674","0.0524","","","0.1388","0.1474","","","","","","1.006","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505764","10.387","0.002","14.622","0.004","8.821","0.002","93.85","0.01","105.85","0.02","94.56","0.02","1279.2","0.5","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","5,15-diphenyl-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin, beta form","","- C60 H78 N4 -","- C60 H78 N4 -","- C60 H78 N4 -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.7107","MoKα","","0.1159","0.0602","","","0.1139","0.1304","","","","","","0.99","","","","has coordinates,has disorder","301842","2025-08-21","00:37:16",""
"4505765","10.974","0.002","17.163","0.003","6.895","0.002","99.73","0.01","92.87","0.02","87.86","0.01","1277.8","0.5","210","2","210","2","","","","","","","","3","P -1","-P 1","2","","5,15-diphenyl-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin, alpha form","","- C60 H78 N4 -","- C60 H78 N4 -","- C60 H78 N4 -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.7107","MoKα","","0.1903","0.1038","","","0.212","0.2507","","","","","","1.035","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505766","10.143","0.001","14.541","0.001","9.357","0.002","92.4","0.01","104.21","0.01","71.63","0.01","1268.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5-(4-hydroxyphenyl)-15-phenyl-2,8,12,18-tetrahexyl -3,7,13,17-tetramethylporphyrin","","- C60 H78 N4 O -","- C60 H78 N4 O -","- C60 H78 N4 O -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.6919","synchrotron","","0.1001","0.0759","","","0.2071","0.2252","","","","","","1.044","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505767","10.053","0.002","14.64","0.003","9.551","0.002","92.8","0.01","104.13","0.02","72.38","0.01","1298.7","0.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","5,15-bis(3-hydroxyphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin","","- C60 H78 N4 O2 -","- C60 H78 N4 O2 -","- C60 H78 N4 O2 -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.7107","MoKα","","0.1536","0.1231","","","0.2125","0.2288","","","","","","1.26","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505768","7.998","0.001","12.45","0.001","14.476","0.001","81.2","0.01","75.28","0.01","86.76","0.01","1377.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5,15-bis(3-methoxyphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin","","- C62 H82 N4 O2 -","- C62 H82 N4 O2 -","- C62 H82 N4 O2 -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.5062","synchrotron","","0.1344","0.0866","","","0.2102","0.227","","","","","","0.927","","","","has coordinates,has disorder","301842","2025-08-21","00:37:16",""
"4505769","6.981","0.0003","14.874","0.001","15.408","0.001","107.095","0.003","98.703","0.004","92.845","0.004","1504.08","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5,15-bis(4-cyanophenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin, chloroform solvate (1/2)","","- C64 H78 Cl6 N6 -","- C64 H78 Cl6 N6 -","- C64 H78 Cl6 N6 -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.7107","MoKα","","0.1547","0.0967","","","0.2142","0.2482","","","","","","1.023","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505770","20.7389","0.0017","37.858","0.003","31.463","0.003","90","","90.038","0.002","90","","24703","4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C454 H136 O20 -","- C454 H136 O20 -","- C1816 H544 O80 -","4","1","","Atwood, Jerry L.; Barbour, Leonard J.; Raston, Colin L.","Supramolecular Organization of C60into Linear Columns of Five-Fold, Z-Shaped Strands","Crystal Growth & Design","2002","2","1","3","","10.1021/cg0155494","","","1.54178","CuKα","","0.2153","0.2086","","","0.5569","0.5718","","","","","","3.308","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505771","5.8745","0.0003","8.9512","0.0005","9.6833","0.0005","63.469","0.001","88.364","0.001","88.702","0.001","455.35","0.04","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","1,4-Butanebisphosphonic acid","","- C4 H12 O6 P2 -","- C4 H12 O6 P2 -","- C8 H24 O12 P4 -","2","1","","Mahmoudkhani, Amir H.; Langer, Vratislav","Supramolecular Isomerism and Isomorphism in the Structures of 1,4-Butanebisphosphonic Acid and Its Organic Ammonium Salts","Crystal Growth & Design","2002","2","1","21","","10.1021/cg015553f","","","0.71073","MoKα","","0.0549","0.0393","","","0.0974","0.1062","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505772","10.7794","0.0003","5.7405","0.0002","14.248","0.0004","90","","90","","90","","881.65","0.05","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,4-Butanebisphosphonic acid","","- C4 H12 O6 P2 -","- C4 H12 O6 P2 -","- C16 H48 O24 P8 -","4","1","","Mahmoudkhani, Amir H.; Langer, Vratislav","Supramolecular Isomerism and Isomorphism in the Structures of 1,4-Butanebisphosphonic Acid and Its Organic Ammonium Salts","Crystal Growth & Design","2002","2","1","21","","10.1021/cg015553f","","","0.71073","MoKα","","0.076","0.063","","","0.17","0.181","","","","","","1.051","","","","has coordinates,has disorder","301842","2025-08-21","00:37:16",""
"4505773","18.7245","0.0006","6.7899","0.0003","8.0295","0.0003","90","","91.394","0.001","90","","1020.55","0.07","163","2","163","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Anilinium butanebisphosphonate","","- C16 H26 N2 O6 P2 -","- C16 H26 N2 O6 P2 -","- C32 H52 N4 O12 P4 -","2","0.5","","Mahmoudkhani, Amir H.; Langer, Vratislav","Supramolecular Isomerism and Isomorphism in the Structures of 1,4-Butanebisphosphonic Acid and Its Organic Ammonium Salts","Crystal Growth & Design","2002","2","1","21","","10.1021/cg015553f","","","0.71073","MoKα","","0.097","0.06","","","0.144","0.173","","","","","","1.087","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505774","65.3761","0.0008","6.3533","0.0001","7.4586","0.0001","90","","90.291","0.001","90","","3097.92","0.07","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","p-Phenylazoanilinium butanebisphosphonate","","- C28 H34 N6 O6 P2 -","- C28 H34 N6 O6 P2 -","- C112 H136 N24 O24 P8 -","4","0.5","","Mahmoudkhani, Amir H.; Langer, Vratislav","Supramolecular Isomerism and Isomorphism in the Structures of 1,4-Butanebisphosphonic Acid and Its Organic Ammonium Salts","Crystal Growth & Design","2002","2","1","21","","10.1021/cg015553f","","","0.71073","MoKα","","0.047","0.037","","","0.095","0.102","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505775","6.927","0.0011","10.8968","0.0018","14.735","0.002","101.312","0.006","100.335","0.006","95.999","0.004","1061.6","0.3","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 N4 O8 -","- C52 H32 N4 O8 -","- C52 H32 N4 O8 -","1","0.5","","Ma, Bao-Qing; Zhang, Yuegang; Coppens, Philip","Structural Variation and Supramolecular Isomerism in theC-Methylcalix[4]resorcinarene/Bipyridine System","Crystal Growth & Design","2002","2","1","7","13","10.1021/cg0155595","","","0.71073","MoKα","","0.1115","0.0669","","","0.1889","0.2147","","","","","","1.06","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505776","9.806","0.0006","10.8427","0.0006","13.0429","0.0008","74.672","0.002","73.633","0.002","89.016","0.002","1280.78","0.13","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H56 N6 O8 -","- C62 H56 N6 O8 -","- C62 H56 N6 O8 -","1","0.5","","Ma, Bao-Qing; Zhang, Yuegang; Coppens, Philip","Structural Variation and Supramolecular Isomerism in theC-Methylcalix[4]resorcinarene/Bipyridine System","Crystal Growth & Design","2002","2","1","7","13","10.1021/cg0155595","","","0.71073","MoKα","","0.088","0.055","","","0.1378","0.1506","","","","","","0.951","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505777","13.0965","0.0011","13.8019","0.0013","13.9915","0.0012","63.41","0.002","84.946","0.004","75.216","0.003","2185.7","0.3","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H52 N4 O10 -","- C52 H52 N4 O10 -","- C104 H104 N8 O20 -","2","1","","Ma, Bao-Qing; Zhang, Yuegang; Coppens, Philip","Structural Variation and Supramolecular Isomerism in theC-Methylcalix[4]resorcinarene/Bipyridine System","Crystal Growth & Design","2002","2","1","7","13","10.1021/cg0155595","","","0.71073","MoKα","","0.0635","0.0415","","","0.0914","0.1001","","","","","","0.934","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505778","13.735","0.002","27.419","0.006","18.398","0.004","90","","109.087","0.007","90","","6548","2","90","1","90","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C79 H86 N3 O21 -","- C79 H72 N3 O21 -","- C316 H288 N12 O84 -","4","1","","Ma, Bao-Qing; Zhang, Yuegang; Coppens, Philip","Structural Variation and Supramolecular Isomerism in theC-Methylcalix[4]resorcinarene/Bipyridine System","Crystal Growth & Design","2002","2","1","7","13","10.1021/cg0155595","","","0.71073","MoKα","","0.1927","0.0937","","","0.2526","0.3065","","","","","","0.97","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505779","30.608","0.003","16.8606","0.0016","22.005","0.002","90","","105.517","0.002","90","","10942.2","1.8","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59 H71 N4 O12.5 -","- C59 H68 N4 O12.5 -","- C472 H544 N32 O100 -","8","1","","Ma, Bao-Qing; Zhang, Yuegang; Coppens, Philip","Structural Variation and Supramolecular Isomerism in theC-Methylcalix[4]resorcinarene/Bipyridine System","Crystal Growth & Design","2002","2","1","7","13","10.1021/cg0155595","","","0.71073","MoKα","","0.098","0.0587","","","0.1492","0.173","","","","","","0.935","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505780","12.7323","0.0002","13.9467","0.0002","13.6415","0.0002","90","","112.449","0.001","90","","2238.8","0.06","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl4 Hg N6 O -","- C18 H14 Cl4 Hg N6 O -","- C72 H56 Cl16 Hg4 N24 O4 -","4","1","","Batten, Stuart R.; Harris, Alexander R.; Murray, Keith S.; Smith, Jonathan P.","Crystal Engineering with Mercuric Chloride","Crystal Growth & Design","2002","2","2","87","","10.1021/cg0155696","","","0.71073","MoKα","","0.0497","0.0433","","","0.1059","0.1092","","","","","","1.077","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505781","7.4584","0.0002","10.811","0.0005","31.7206","0.0013","90","","90","","90","","2557.72","0.17","123","2","123","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C6 H12 Cl4 Hg2 N4 -","- C6 H12 Cl4 Hg2 N4 -","- C48 H96 Cl32 Hg16 N32 -","8","0.25","","Batten, Stuart R.; Harris, Alexander R.; Murray, Keith S.; Smith, Jonathan P.","Crystal Engineering with Mercuric Chloride","Crystal Growth & Design","2002","2","2","87","","10.1021/cg0155696","","","0.71073","MoKα","","0.033","0.029","","","0.0768","0.0775","","","","","","1.136","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505782","9.3817","0.0002","9.3817","0.0002","33.7473","0.0004","90","","90","","120","","2572.37","0.08","120","2","120","2","","","","","","","synthesis as described","6","P 61","P 61","169","","","","- C8 H22 Co F6 N10 P -","- C8 H22 Co F6 N10 P -","- C48 H132 Co6 F36 N60 P6 -","6","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0773","0.0669","","","0.1565","0.1646","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505783","9.9239","0.0003","10.0786","0.0003","15.1643","0.0005","90","","92.782","0.001","90","","1514.93","0.08","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Co N11 O3 -","- C8 H22 Co N11 O3 -","- C32 H88 Co4 N44 O12 -","4","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0645","0.0367","","","0.0721","0.0805","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505784","10.0255","0.0002","10.3728","0.0002","15.0556","0.0003","90","","92.6949","0.0008","90","","1563.94","0.05","293","","293","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Co I N10 -","- C8 H22 Co I N10 -","- C32 H88 Co4 I4 N40 -","4","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0838","0.0411","","","0.0755","0.0866","","","","","","1.014","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505785","14.3546","0.0005","8.1446","0.0002","13.5195","0.0004","90","","100.177","","90","","1555.73","0.08","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Br Co N10 -","- C8 H22 Br Co N10 -","- C32 H88 Br4 Co4 N40 -","4","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0685","0.0443","","","0.1011","0.1113","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505786","12.372","0.0002","15.8687","0.0003","16.8796","0.0003","90","","90","","90","","3313.93","0.1","120","2","120","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 Cl Co N10 O2 -","- C8 H22 Cl Co N10 O2 -","- C64 H176 Cl8 Co8 N80 O16 -","8","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0681","0.0417","","","0.1043","0.1157","","","","","","1.033","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505787","13.29","0.005","13.753","0.006","14.598","0.006","80.53","0.03","66.83","0.03","65.85","0.03","2238.3","1.7","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H31 Br8 N4 -","- C49 H31 Br8 N4 -","- C98 H62 Br16 N8 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Marjo, Christopher E.; Scudder, Marcia L.","Staircase Inclusion Compounds Formed by Tetrahalodiquinoline Hosts","Crystal Growth & Design","2002","2","5","421","","10.1021/cg020017o","","","0.71073","MoKα","","","0.055","","","","0.078","","","","","","1.44","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505788","13.861","0.008","14.305","0.009","14.969","0.009","77.85","0.03","64.18","0.03","66.84","0.03","2454","3","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C49.5 H32 I8 N4 -","- C49.5 H30.5 I8 N4 -","- C99 H61 I16 N8 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Marjo, Christopher E.; Scudder, Marcia L.","Staircase Inclusion Compounds Formed by Tetrahalodiquinoline Hosts","Crystal Growth & Design","2002","2","5","421","","10.1021/cg020017o","","","0.71073","MoKα","","","0.058","","","","0.086","","","","","","1.76","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505789","14.044","0.006","14.997","0.007","22.395","0.009","77.35","0.03","84.2","0.03","81.51","0.03","4540","3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H64 Br16 N8 O2 -","- C96 H64 Br16 N8 O2 -","- C192 H128 Br32 N16 O4 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Marjo, Christopher E.; Scudder, Marcia L.","Staircase Inclusion Compounds Formed by Tetrahalodiquinoline Hosts","Crystal Growth & Design","2002","2","5","421","","10.1021/cg020017o","","","0.71073","MoKα","","","0.057","","","","0.065","","","","","","1.81","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505790","23.275","0.008","16.383","0.006","14.475","0.006","90","","121.77","0.02","90","","4693","3","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H17.5 Br4 N2.5 O0.5 -","- C25 H16.5 Br4 N2.5 O0.5 -","- C200 H132 Br32 N20 O4 -","8","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Marjo, Christopher E.; Scudder, Marcia L.","Staircase Inclusion Compounds Formed by Tetrahalodiquinoline Hosts","Crystal Growth & Design","2002","2","5","421","","10.1021/cg020017o","","","0.71073","MoKα","","","0.062","","","","0.073","","","","","","1.74","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505791","21.8603","0.0005","5.3335","0.0001","22.2337","0.0006","90","","111.929","0.0011","90","","2404.72","0.1","150","","150","","","","","","","","Nabumatone","3","P 1 21/c 1","-P 2ybc","14","","Nabumatone Form I","","- C15 H16 O2 -","- C15 H16 O2 -","- C120 H128 O16 -","8","2","","Chyall, Leonard J.; Tower, Jeanette M.; Coates, David A.; Houston, Travis L.; Childs, Scott L.","Polymorph Generation in Capillary Spaces: The Preparation and Structural Analysis of a Metastable Polymorph of Nabumetone","Crystal Growth & Design","2002","2","6","505","","10.1021/cg0200311","","","0.71073","MO-Kα","","","0.044","","","","0.108","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505792","26.9485","0.0004","5.8773","0.0004","7.896","0.0018","90","","91.767","0.003","90","","1250","0.3","150","","150","","","","","","","","Nabumatone","3","P 1 21/c 1","-P 2ybc","14","","Nabumatone Form II","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Chyall, Leonard J.; Tower, Jeanette M.; Coates, David A.; Houston, Travis L.; Childs, Scott L.","Polymorph Generation in Capillary Spaces: The Preparation and Structural Analysis of a Metastable Polymorph of Nabumetone","Crystal Growth & Design","2002","2","6","505","","10.1021/cg0200311","","","0.71073","MO-Kα","","","0.06","","","","0.152","","","","","","0.997","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505793","37.233","0.007","19.987","0.004","17.011","0.003","90","","97.82","0.03","90","","12541","4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H82.5 N1.5 O2 P2 -","- C70 H82.5 N1.5 O2 P2 -","- C560 H660 N12 O16 P16 -","8","2","","Broder, Charlotte K.; Davidson, Matthew G.; Forsyth, V. Trevor; Howard, Judith A. K.; Lamb, Sarah; Mason, Sax A.","On the Reliability of C−H···O Interactions in Crystal Engineering: Synthesis and Structure of Two Hydrogen Bonded Phosphonium Bis(aryloxide) Salts","Crystal Growth & Design","2002","2","3","163","","10.1021/cg025503q","","","0.71073","MoKα","","0.104","0.0651","","","0.1569","0.1771","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505794","18.048","0.002","18.776","0.002","19.106","0.003","90","","90","","90","","6474.4","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H88 N2 O2 P2 -","- C73 H88 N2 O2 P2 -","- C292 H352 N8 O8 P8 -","4","1","","Broder, Charlotte K.; Davidson, Matthew G.; Forsyth, V. Trevor; Howard, Judith A. K.; Lamb, Sarah; Mason, Sax A.","On the Reliability of C−H···O Interactions in Crystal Engineering: Synthesis and Structure of Two Hydrogen Bonded Phosphonium Bis(aryloxide) Salts","Crystal Growth & Design","2002","2","3","163","","10.1021/cg025503q","","","0.71073","MoKα","","0.0418","0.0346","","","0.0795","0.0853","","","","","","1.096","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505795","17.8957","0.0002","18.6462","0.0002","18.9466","0.0002","90","","90","","90","","6322.23","0.12","20","2","20","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H88 N2 O2 P2 -","- C73 H88 N2 O2 P2 -","- C292 H352 N8 O8 P8 -","4","1","","Broder, Charlotte K.; Davidson, Matthew G.; Forsyth, V. Trevor; Howard, Judith A. K.; Lamb, Sarah; Mason, Sax A.","On the Reliability of C−H···O Interactions in Crystal Engineering: Synthesis and Structure of Two Hydrogen Bonded Phosphonium Bis(aryloxide) Salts","Crystal Growth & Design","2002","2","3","163","","10.1021/cg025503q","","","1.3099","Nuclearreactor","","0.0624","0.0593","","","0.1472","0.1497","","","","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505796","11.342","0.003","13.087","0.004","12.982","0.004","90","","95.93","0.006","90","","1916.6","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Ag2 Cl2 N0 O8 S4 -","- C28 H44 Ag2 Cl2 O8 S4 -","- C56 H88 Ag4 Cl4 O16 S8 -","2","0.5","","Bu, Xian-He; Hou, Wen-Feng; Du, Miao; Chen, Wei; Zhang, Ruo-Hua","Varying the Frameworks of Novel Silver(I) Coordination Polymers with Thioethers by Altering the Backbone or Terminal Groups of Ligands","Crystal Growth & Design","2002","2","4","303","","10.1021/cg025510e","","","0.71073","MoKα","","0.1445","0.0588","","","0.1445","0.1733","","","","","","1.045","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505797","10.674","0.003","23.49","0.006","8.452","0.002","90","","91.79","0.005","90","","2118.2","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Ag Cl O4 S2 -","- C20 H18 Ag Cl O4 S2 -","- C80 H72 Ag4 Cl4 O16 S8 -","4","1","","Bu, Xian-He; Hou, Wen-Feng; Du, Miao; Chen, Wei; Zhang, Ruo-Hua","Varying the Frameworks of Novel Silver(I) Coordination Polymers with Thioethers by Altering the Backbone or Terminal Groups of Ligands","Crystal Growth & Design","2002","2","4","303","","10.1021/cg025510e","","","0.71073","MoKα","","0.1959","0.0434","","","0.0793","0.1151","","","","","","0.808","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505798","9.2013","0.0014","10.1824","0.0017","19.267","0.003","90","","103.533","0.003","90","","1755","0.5","298","2","298","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C34 H40 Ag Cl O4 S4 -","- C34 H40 Ag Cl O4 S4 -","- C68 H80 Ag2 Cl2 O8 S8 -","2","1","","Bu, Xian-He; Hou, Wen-Feng; Du, Miao; Chen, Wei; Zhang, Ruo-Hua","Varying the Frameworks of Novel Silver(I) Coordination Polymers with Thioethers by Altering the Backbone or Terminal Groups of Ligands","Crystal Growth & Design","2002","2","4","303","","10.1021/cg025510e","","","0.71073","MoKα","","0.0322","0.0306","","","0.0832","0.0847","","","","","","1.045","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505799","10.514","0.016","10.514","0.016","15.58","0.03","70.75","0.03","70.75","0.03","62.15","0.02","1405","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H24 Ag Cl N0 O4 S3 -","- C27 H24 Ag Cl O4 S3 -","- C54 H48 Ag2 Cl2 O8 S6 -","2","1","","Bu, Xian-He; Hou, Wen-Feng; Du, Miao; Chen, Wei; Zhang, Ruo-Hua","Varying the Frameworks of Novel Silver(I) Coordination Polymers with Thioethers by Altering the Backbone or Terminal Groups of Ligands","Crystal Growth & Design","2002","2","4","303","","10.1021/cg025510e","","","0.71073","MoKα","","0.1","0.0575","","","0.1373","0.1585","","","","","","0.965","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505800","7.692","0.0007","9.0616","0.0008","9.0813","0.0008","119.833","0.001","106.877","0.002","95.091","0.002","504.3","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H9 Br3 -","- C9 H9 Br3 -","- C18 H18 Br6 -","2","1","","Bosch, Eric; Barnes, Charles L.","Triangular Halogen−Halogen−Halogen Interactions as a Cohesive Force in the Structures of Trihalomesitylenes","Crystal Growth & Design","2002","2","4","299","","10.1021/cg025517w","","","0.71073","MoKα","","0.0503","0.0432","","","0.1135","0.1175","","","","","","1.018","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505801","7.982","0.004","9.587","0.004","9.627","0.006","120.01","0.007","108.548","0.008","94.437","0.008","579.2","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H9 I3 -","- C9 H9 I3 -","- C18 H18 I6 -","2","1","","Bosch, Eric; Barnes, Charles L.","Triangular Halogen−Halogen−Halogen Interactions as a Cohesive Force in the Structures of Trihalomesitylenes","Crystal Growth & Design","2002","2","4","299","","10.1021/cg025517w","","","0.71073","MoKα","","0.051","0.0449","","","0.1216","0.1265","","","","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505802","6.5864","0.0013","23.353","0.005","7.0345","0.0014","90","","96.07","0.03","90","","1075.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1:0.5 Molecular complex of 5-Nitrosalicylic acid and trans-1,4-dithiane-1,4-dioxide","1:0.5 Molecular complex of 5-Nitrosalicylic acid and trans-1,4-dithiane-1,4-dioxide","","- C9 H9 N O6 S -","- C9 H9 N O6 S -","- C36 H36 N4 O24 S4 -","4","1","","Senthil Kumar, V. S.; Nangia, Ashwini; Katz, Amy K.; Carrell, H. L.","Molecular Complexes of Some Mono- and Dicarboxylic Acids withtrans-1,4-Dithiane-1,4-dioxide","Crystal Growth & Design","2002","2","4","313","","10.1021/cg025523s","","","0.71073","MoKα","","0.0951","0.0448","","","0.0998","0.1311","","","","","","1.094","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505803","6.221","0.0012","6.566","0.0013","7.685","0.0015","89.78","0.03","79.36","0.03","64.55","0.03","277.56","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1:1 Molecular complex of succinic acid and trans-1,4-dithiane-1,4-dioxide","1:1 Molecular complex of Succinic acid and trans-1,4-dithiane-1,4-dioxide","","- C4 H7 O3 S -","- C4 H7 O3 S -","- C8 H14 O6 S2 -","2","1","","Senthil Kumar, V. S.; Nangia, Ashwini; Katz, Amy K.; Carrell, H. L.","Molecular Complexes of Some Mono- and Dicarboxylic Acids withtrans-1,4-Dithiane-1,4-dioxide","Crystal Growth & Design","2002","2","4","313","","10.1021/cg025523s","","","0.71073","MoKα","","0.0376","0.0364","","","0.0967","0.0981","","","","","","1.116","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505804","13.766","0.003","6.2818","0.0013","18.675","0.004","90","","111.53","0.03","90","","1502.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1:1 Molecular complex of 3,5-Dinitrosalicylic acid and trans-1,4-dithiane-1,4-dioxide","1:1 Molecular complex of 3,5-Dinitrosalicylic acid and trans-1,4-dithiane-1,4-dioxide","","- C11 H12 N2 O9 S2 -","- C11 H12 N2 O9 S2 -","- C44 H48 N8 O36 S8 -","4","1","","Senthil Kumar, V. S.; Nangia, Ashwini; Katz, Amy K.; Carrell, H. L.","Molecular Complexes of Some Mono- and Dicarboxylic Acids withtrans-1,4-Dithiane-1,4-dioxide","Crystal Growth & Design","2002","2","4","313","","10.1021/cg025523s","","","0.71073","MoKα","","0.0617","0.045","","","0.1199","0.1321","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505805","6.264","0.0013","6.657","0.0013","7.613","0.0015","100.12","0.03","97.09","0.03","114.2","0.03","278.22","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1:1:2 Molecular complex of oxalic acid, trans-1,4-dithiane-1,4-dioxide and water","1:1:2 Molecular complex of oxalic acid,trans-1,4-dithiane-1,4-dioxide and water","","- C3 H7 O4 S -","- C3 H7 O4 S -","- C6 H14 O8 S2 -","2","1","","Senthil Kumar, V. S.; Nangia, Ashwini; Katz, Amy K.; Carrell, H. L.","Molecular Complexes of Some Mono- and Dicarboxylic Acids withtrans-1,4-Dithiane-1,4-dioxide","Crystal Growth & Design","2002","2","4","313","","10.1021/cg025523s","","","0.71073","MoKα","","0.039","0.0383","","","0.1001","0.1008","","","","","","1.105","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505806","3.814","0.001","12.371","0.003","28.132","0.005","90","","91.5","0.02","90","","1326.9","0.5","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Vrcelj, Ranko M.; Shepherd, Evelyn E. A.; Yoon, Choon-Sup; Sherwood, John N.; Kennedy, Alan R.","Preparation and Structural Evaluation of the Conformational Polymorphs of α-[(4-Methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile","Crystal Growth & Design","2002","2","6","609","","10.1021/cg025529h","","","0.71069","MoKα","","0.0731","0.065","","0.1051","0.0982","","","","","1.234","1.234","","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505807","4.6002","0.0007","31.947","0.004","9.511","0.001","90","","92.81","0.01","90","","1396.1","0.3","293","","293","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Vrcelj, Ranko M.; Shepherd, Evelyn E. A.; Yoon, Choon-Sup; Sherwood, John N.; Kennedy, Alan R.","Preparation and Structural Evaluation of the Conformational Polymorphs of α-[(4-Methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile","Crystal Growth & Design","2002","2","6","609","","10.1021/cg025529h","","","0.71069","MoKα","","0.1503","0.0409","","0.0537","0.0425","","","","","1.493","1.493","","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505808","3.859","0.001","30.971","0.005","11.346","0.002","90","","91.17","0.02","90","","1355.8","0.5","295","","295","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Vrcelj, Ranko M.; Shepherd, Evelyn E. A.; Yoon, Choon-Sup; Sherwood, John N.; Kennedy, Alan R.","Preparation and Structural Evaluation of the Conformational Polymorphs of α-[(4-Methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile","Crystal Growth & Design","2002","2","6","609","","10.1021/cg025529h","","","0.71069","MoKα","","0.0549","0.0303","","0.0398","0.0362","","","","","1.372","1.372","","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505809","8.543","0.003","12.697","0.004","12.572","0.004","90","","101.52","0.03","90","","1336.2","0.8","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Vrcelj, Ranko M.; Shepherd, Evelyn E. A.; Yoon, Choon-Sup; Sherwood, John N.; Kennedy, Alan R.","Preparation and Structural Evaluation of the Conformational Polymorphs of α-[(4-Methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile","Crystal Growth & Design","2002","2","6","609","","10.1021/cg025529h","","","0.71069","MoKα","","0.1132","0.0435","","0.0559","0.0485","","","","","1.554","1.554","","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505810","9.8283","0.0011","6.1935","0.0007","10.6465","0.0012","90","","106.616","0.002","90","","621.01","0.12","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diketopiperazine + chloranillic acid","","- C10 H8 Cl2 N2 O6 -","- C10 H8 Cl2 N2 O6 -","- C20 H16 Cl4 N4 O12 -","2","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0451","0.0383","","","0.1053","0.1102","","","","","","1.057","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505811","8.895","0.002","5.1184","0.0012","12.39","0.003","90","","107.169","0.003","90","","539","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diketopiperazine + 2,5-dichlorohydroquinone","","- C10 H10 Cl2 N2 O4 -","- C10 H10 Cl2 N2 O4 -","- C20 H20 Cl4 N4 O8 -","2","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0569","0.0368","","","0.0719","0.0773","","","","","","0.918","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505812","9.374","0.0006","29.318","0.002","12.5881","0.0009","90","","102.958","0.002","90","","3371.5","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DKP.2PPA","diketopiperazine + propiolic acid","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C120 H120 N24 O72 -","12","3","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.1398","0.0416","","","0.0891","0.1194","","","","","","0.788","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505813","26.3318","0.0011","6.355","0.0003","12.9136","0.0005","90","","90","","90","","2160.94","0.16","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","diketopiperazine + 2,5-dihydroxybenzoic acid","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C88 H96 N16 O48 -","8","2","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0694","0.0604","","","0.172","0.178","","","","","","1.074","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505814","3.8469","0.0002","6.1731","0.0004","40.63","0.003","90","","90.78","0.001","90","","964.76","0.11","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diketopiperazine + 2,5-dichlorobenzoic acid","","- C18 H14 Cl4 N2 O6 -","- C18 H14 Cl4 N2 O6 -","- C36 H28 Cl8 N4 O12 -","2","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0718","0.0464","","","0.0926","0.1026","","","","","","1.05","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4505815","11.816","0.002","5.4552","0.001","14.331","0.003","90","","98.255","0.002","90","","914.2","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diketopiperazine + 5-chlorosalicylic acid","","- C18 H16 Cl2 N2 O8 -","- C18 H16 Cl2 N2 O8 -","- C36 H32 Cl4 N4 O16 -","2","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0601","0.0382","","","0.083","0.0903","","","","","","0.924","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505816","5.9359","0.0009","6.5936","0.0009","7.3042","0.001","109.262","0.003","90.762","0.003","116.527","0.002","237.06","0.06","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","diketopiperazine + fumaric acid","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","1","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0452","0.041","","","0.1123","0.1153","","","","","","1.13","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505817","6.5698","0.0009","6.6864","0.001","6.9614","0.001","97.89","0.003","93.11","0.003","93.426","0.003","301.76","0.08","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","diketopiperazine + 2,5-dydroxyterephthalic acid","","- C12 H12 N2 O6 -","- C12 H12 N2 O8 -","- C12 H12 N2 O8 -","1","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.075","0.0396","","0.0953","0.0841","","","","0.88","0.997","0.997","","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505818","6.6393","0.0012","6.9913","0.0013","7.0627","0.0014","100.371","0.004","97.433","0.004","92.838","0.004","318.87","0.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","diketopiperazine + 2,5-dichloroterephthalic acid","","- C12 H10 Cl2 N2 O6 -","- C12 H10 Cl2 N2 O6 -","- C12 H10 Cl2 N2 O6 -","1","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0577","0.0418","","","0.1004","0.1067","","","","","","0.986","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505819","12.08","0.004","6.278","0.002","6.788","0.002","90","","95.017","0.007","90","","512.8","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diketopiperazine + 2,5-dihydroxybenzoquinone","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C20 H20 N4 O12 -","2","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.1565","0.1201","","","0.3426","0.3494","","","","","","1.939","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505820","5.3223","0.0019","7.831","0.003","12.08","0.004","99.815","0.007","91.105","0.007","91.279","0.009","495.9","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","diketopiperazine + 2,5-dihydroxybenzoquinone","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C20 H20 N4 O12 -","2","1","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.2299","0.0927","","","0.2252","0.2846","","","","","","0.92","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505821","22.255","0.014","6.89","0.004","16.204","0.012","90","","118.34","0.03","90","","2187","3","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3,5-Cyclohexane tricarboxylic acid mono hydrate","1,3,5-Cyclohexane tricarboxylic acid mono hydrate","","- C9 H14 O7 -","- C9 H14 O7 -","- C72 H112 O56 -","8","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Four-Fold Inclined Interpenetrated and Three-Fold Parallel Interpenetrated Hydrogen Bond Networks in 1,3,5-Cyclohexanetricarboxylic Acid Hydrate and Its Molecular Complex with 4,4‘-Bipyridine","Crystal Growth & Design","2002","2","5","325","","10.1021/cg025537y","","","0.71073","MoKα","","0.0433","0.04","","","0.1045","0.1079","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505822","10.5609","0.0004","14.2226","0.0006","16.9229","0.0007","113.293","0.001","102.553","0.001","93.852","0.001","2245.41","0.16","93","2","93","2","","","","","","","","4","P -1","-P 1","2","2:3 complex of 1,3,5-cyclohexane tricarboxylic acid and 4,4'-bypyridine mono hydrate","2:3 complex of 1,3,5-cyclohexane tricarboxylic acid and 4,4'-bypyridine mono hydrate","","- C48 H50 N6 O13 -","- C48 H50 N6 O13 -","- C96 H100 N12 O26 -","2","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Four-Fold Inclined Interpenetrated and Three-Fold Parallel Interpenetrated Hydrogen Bond Networks in 1,3,5-Cyclohexanetricarboxylic Acid Hydrate and Its Molecular Complex with 4,4‘-Bipyridine","Crystal Growth & Design","2002","2","5","325","","10.1021/cg025537y","","","0.71073","MoKα","","0.0655","0.0445","","","0.1067","0.1169","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505823","8.3023","0.0004","15.5573","0.0008","7.3435","0.0004","90","","94.351","0.001","90","","945.76","0.08","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O12 Zn2 -","- C14 H15 N2 O11.5 Zn2 -","- C28 H30 N4 O23 Zn4 -","2","0.5","","Lu, Jack Y.; Macias, Jose; Lu, Jiageng; Cmaidalka, Jared E.","An Unforeseen Chemical Rearrangement of Pyridinecarboxylate to Oxalate under Hydrothermal Conditions Afforded the First Oxalato and Isonicotinato Mixed-Ligand Guest-Inclusion Coordination Polymer","Crystal Growth & Design","2002","2","6","485","","10.1021/cg025539i","","","0.71073","MoKα","","0.0247","0.0224","","","0.0622","0.0645","","","","","","1.116","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4505824","10.996","0.004","12.903","0.005","14.276","0.006","73.33","0.03","72.54","0.03","88.86","0.02","1846.1","1.3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 Cd2 P2 S6 -","- C84 H70 Cd2 P2 S6 -","- C84 H70 Cd2 P2 S6 -","1","0.5","","Ali, Basem; Dance, Ian; Scudder, Marcia; Craig, Don","Dimorphs of (Ph4P)2[Cd2(SPh)6]: Crystal Packing Analyses and the Interplay of Intermolecular and Intramolecular Energies","Crystal Growth & Design","2002","2","6","601","","10.1021/cg0255422","","","0.71073","MoKα","","","0.034","","","","0.041","","","","","","1.3","","","","has coordinates","296816","2024-12-10","09:33:22",""
"4505825","9.823","0.004","11.587","0.004","20.385","0.007","95.1","0.02","92.423","0.019","98.9","0.02","2279.5","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H64 Co3 N2 O39 -","- C25 H64 Co3 N2 O39 -","- C50 H128 Co6 N4 O78 -","2","1","","Cheng, Deping; Khan, Masood A.; Houser, Robert P.","Novel Sandwich Coordination Polymers Composed of Cobalt(II), 1,2,4,5-Benzenetetracarboxylato Ligands, and Homopiperazonium Cations","Crystal Growth & Design","2002","2","5","415","","10.1021/cg025547z","","","0.71073","MoKα","","0.087","0.0713","","","0.211","0.2273","","","","","","1.103","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505826","9.7755","0.0017","11.208","0.003","11.224","0.002","60.304","0.012","73.687","0.012","84.311","0.014","1024","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H28 Co N2 O14 -","- C15 H28 Co N2 O14 -","- C30 H56 Co2 N4 O28 -","2","1","","Cheng, Deping; Khan, Masood A.; Houser, Robert P.","Novel Sandwich Coordination Polymers Composed of Cobalt(II), 1,2,4,5-Benzenetetracarboxylato Ligands, and Homopiperazonium Cations","Crystal Growth & Design","2002","2","5","415","","10.1021/cg025547z","","","0.71073","MoKα","","0.0586","0.0473","","","0.1199","0.128","","","","","","1.019","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505827","8.5296","0.0003","13.4064","0.0004","14.8556","0.0004","80.821","0.002","83.5804","0.0019","76.8349","0.0016","1627.89","0.09","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H32 Ag2 B2 F8 N4 O2 Si2 -","- C24 H28 Ag2 B2 F8 N4 O2 Si2 -","- C48 H56 Ag4 B4 F16 N8 O4 Si4 -","2","1","","Jung, Ok-Sang; Lee, Young-A; Kim, Yun Ju; Hong, Jongki","“Cyclic Tetramer” vs “Dimer of Cyclic Dimer”: Subtle Anion Effects on the Cyclization of AgBF4vs AgClO4with Bis(3-pyridyl)dimethylsilane","Crystal Growth & Design","2002","2","6","497","","10.1021/cg025555f","","","0.71073","MoKα","","0.0837","0.0588","","","0.1575","0.1872","","","","","","1.07","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505828","12.5075","0.0002","32.3068","0.0007","15.6988","0.0003","90","","101.081","0.0011","90","","6225.3","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 Ag4 Cl4 N8 O16 Si4 -","- C48 H56 Ag4 Cl4 N8 O16 Si4 -","- C192 H224 Ag16 Cl16 N32 O64 Si16 -","4","1","","Jung, Ok-Sang; Lee, Young-A; Kim, Yun Ju; Hong, Jongki","“Cyclic Tetramer” vs “Dimer of Cyclic Dimer”: Subtle Anion Effects on the Cyclization of AgBF4vs AgClO4with Bis(3-pyridyl)dimethylsilane","Crystal Growth & Design","2002","2","6","497","","10.1021/cg025555f","","","0.71073","MoKα","","0.1124","0.0637","","","0.1716","0.2206","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505829","21.868","0.015","5.33","0.004","22.228","0.015","90","","111.934","0.012","90","","2403","3","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C120 H128 O16 -","8","2","","Price, Christopher P.; Grzesiak, Adam L.; Lang, Meidong; Matzger, Adam J.","Polymorphism of Nabumetone","Crystal Growth & Design","2002","2","6","501","","10.1021/cg0255568","","","0.71073","MoKα","","0.0514","0.0369","","","0.0971","0.1033","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505830","26.902","0.006","5.8844","0.0013","7.8965","0.0018","90","","91.86","0.004","90","","1249.4","0.5","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Price, Christopher P.; Grzesiak, Adam L.; Lang, Meidong; Matzger, Adam J.","Polymorphism of Nabumetone","Crystal Growth & Design","2002","2","6","501","","10.1021/cg0255568","","","0.71073","MoKα","","0.0531","0.0421","","","0.1156","0.1246","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505831","6.6692","0.0005","7.7834","0.0015","21.5744","0.0018","90","","90","","90","","1119.9","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2-(2,4,5-Trichloroanilino)propionic Acid","","- C9 H8 Cl3 N O2 -","- C9 H8 Cl3 N O2 -","- C36 H32 Cl12 N4 O8 -","4","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(2,4,5-Trichloroanilino)propanoic Acid and 2-(2,4,5-Trichlorophenoxy)propanoic Acid","Crystal Growth & Design","2002","2","6","637","","10.1021/cg0255570","","","0.71073","MoKα","","0.1039","0.0561","","","0.1139","0.1324","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505832","7.3401","0.0007","7.3444","0.0005","10.9613","0.0011","98.251","0.006","104.866","0.008","101.768","0.007","547.02","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(±)-2-(2,4,5-Trichloroanilino)propionic Acid","","- C9 H8 Cl3 N O2 -","- C9 H8 Cl3 N O2 -","- C18 H16 Cl6 N2 O4 -","2","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(2,4,5-Trichloroanilino)propanoic Acid and 2-(2,4,5-Trichlorophenoxy)propanoic Acid","Crystal Growth & Design","2002","2","6","637","","10.1021/cg0255570","","","0.71073","MoKα","","0.053","0.0371","","","0.0935","0.1027","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505833","14.309","0.004","21.796","0.006","7.076","0.002","90","","90","","90","","2206.9","1.1","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(R)-2-(2,4,5-Trichlorophenoxy)propionic Acid","","- C9 H7 Cl3 O3 -","- C9 H7 Cl3 O3 -","- C72 H56 Cl24 O24 -","8","2","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(2,4,5-Trichloroanilino)propanoic Acid and 2-(2,4,5-Trichlorophenoxy)propanoic Acid","Crystal Growth & Design","2002","2","6","637","","10.1021/cg0255570","","","0.71073","MoKα","","0.171","0.0685","","","0.1009","0.1279","","","","","","1.011","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505834","7.246","0.002","7.277","0.002","10.92","0.003","98.547","0.015","104.75","0.02","101.442","0.016","533.6","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","(S)-2-(2,4,5-Trichloroanilino)propionic Acid, (R)-2-(2,4,5-Trichlorophenoxy)propionic Acid","","- C18 H15 Cl6 N O5 -","- C18 H15 Cl6 N O5 -","- C18 H15 Cl6 N O5 -","1","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(2,4,5-Trichloroanilino)propanoic Acid and 2-(2,4,5-Trichlorophenoxy)propanoic Acid","Crystal Growth & Design","2002","2","6","637","","10.1021/cg0255570","","","0.71073","MoKα","","0.0637","0.0386","","","0.0842","0.0956","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505835","8.3945","0.0005","9.5771","0.0005","17.0613","0.001","90","","90","","90","","1371.64","0.14","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-(2-Chlorobenzoyl)-?-methylbenzylamine, (R)-1a","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.1443","0.0586","","","0.0995","0.124","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505836","5.1082","0.0008","16.161","0.003","32.365","0.003","90","","90","","90","","2671.8","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-(2-Chlorobenzoyl)-?-methylbenzylamine, (R)-1b","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","2","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.1994","0.072","","","0.1104","0.1466","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505837","8.7493","0.0005","17.6087","0.0011","9.4563","0.0006","90","","108.697","0.005","90","","1379.99","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-N-(2-Chlorobenzoyl)-?-methylbenzylamine, (±)-1","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.1283","0.0601","","","0.1288","0.1562","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505838","8.439","0.0008","9.5812","0.0012","17.171","0.002","90","","90","","90","","1388.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-(2-Bromobenzoyl)-?-methylbenzylamine, (S)-2","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C60 H56 Br4 N4 O4 -","4","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.1194","0.0461","","","0.0917","0.1117","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505839","9.4207","0.0007","16.3613","0.0013","18.3476","0.0018","90","","90","","90","","2828","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(±)-N-(2-Bromobenzoyl)-?-methylbenzylamine, (±)-2","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C120 H112 Br8 N8 O8 -","8","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.2033","0.061","","","0.1053","0.1456","","","","","","0.953","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505840","8.779","0.0008","17.6991","0.0018","9.4652","0.0009","90","","108.391","0.008","90","","1395.6","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-N-(2-Chlorobenzoyl)-?-methylbenzylamine/(S)-N-(2-Bromobenzoyl)-?-methylbenzylamine, 3","","- C30 H28 Br Cl N2 O2 -","- C30 H28 Br Cl N2 O2 -","- C60 H56 Br2 Cl2 N4 O4 -","2","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.0937","0.0598","","","0.138","0.1533","","","","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505841","10.512","0.0011","10.6129","0.0013","11.9898","0.0017","99.491","0.011","104.692","0.01","92.19","0.009","1271.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Fe N2 O4 -","- C32 H26 Fe N2 O4 -","- C64 H52 Fe2 N4 O8 -","2","1","","Shin, Dong Mok; Chung, Young Keun; Lee, In Su","Self-Assembly of Discrete Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Terephthalic and Trimesic Acids","Crystal Growth & Design","2002","2","6","493","","10.1021/cg025573x","","","0.71073","MoKα","","0.0939","0.0528","","","0.1197","0.1365","","","","","","1.051","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505842","13.0232","0.0005","23.4426","0.0007","33.1664","0.0012","90","","90","","90","","10125.6","0.6","150","","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H58 Fe1.5 N3 O10 -","- C56 H57 Fe1.5 N3 O10 -","- C448 H456 Fe12 N24 O80 -","8","1","","Shin, Dong Mok; Chung, Young Keun; Lee, In Su","Self-Assembly of Discrete Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Terephthalic and Trimesic Acids","Crystal Growth & Design","2002","2","6","493","","10.1021/cg025573x","","","0.71073","MoKα","","0.1877","0.0962","","","0.222","0.2875","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506119","20.009","0.016","13.184","0.011","19.278","0.016","90","","95.989","0.015","90","","5058","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H58 Cl4 O6 P2 Pd2 S2 -","- C50 H58 Cl4 O6 P2 Pd2 S2 -","- C200 H232 Cl16 O24 P8 Pd8 S8 -","4","0.5","","Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F.","Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group","ACS Catalysis","2012","2","6","1187","","10.1021/cs300147c","","","0.71073","MoKα","","0.0685","0.0406","","","0.0726","0.0774","","","","","","0.893","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506120","17.934","0.004","10.371","0.002","25.392","0.004","90","","131.536","0.01","90","","3535.2","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 O6 P2 Pd2 S2 -","- C72 H102 O6 P2 Pd2 S2 -","- C144 H204 O12 P4 Pd4 S4 -","2","0.5","","Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F.","Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group","ACS Catalysis","2012","2","6","1187","","10.1021/cs300147c","","","0.71073","MoKα","","0.0505","0.0377","","","0.0859","0.0892","","","","","","0.946","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506121","36.529","0.007","13.21","0.002","24.939","0.005","90","","100.456","0.005","90","","11834","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H61 B F15 O4 P Pd S -","- C58 H61 B F15 O4 P Pd S -","- C464 H488 B8 F120 O32 P8 Pd8 S8 -","8","1","","Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F.","Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group","ACS Catalysis","2012","2","6","1187","","10.1021/cs300147c","","","0.71073","MoKα","","0.0455","0.0342","","","0.0778","0.0808","","","","","","0.955","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506122","37.1893","0.0005","37.1893","","37.1893","","90","","90","","90","","51434.4","0.7","100","","100","","","","","","","","Synthesized by the authors. See text","6","I 2 3","I 2 2 3","197","","","","- C56 H48 Cl12 N4 O18 Rh2 -","- C56 H48 Cl12 N4 O18 Rh2 -","- C1344 H1152 Cl288 N96 O432 Rh48 -","24","1","","Lindsay, Vincent N. G.; Charette, André B.","Design and Synthesis of Chiral Heteroleptic Rhodium(II) Carboxylate Catalysts: Experimental Investigation of Halogen Bond Rigidification Effects in Asymmetric Cyclopropanation","ACS Catalysis","2012","2","6","1221","","10.1021/cs300214v","","","1.54178","CuKα","","0.0407","0.0399","","","0.1152","0.1161","","","","","","1.253","","","","has coordinates","301842","2025-08-21","00:37:17",""
"4506582","11.7148","0.0005","6.9828","0.0003","13.444","0.0006","90","","114.935","0.001","90","","997.24","0.08","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 Si -","- C21 H27 N O3 Si -","- C42 H54 N2 O6 Si2 -","2","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0275","0.0254","","","0.0648","0.0664","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4506583","8.52","0.0002","8.5557","0.0002","33.4637","0.0008","90","","90","","90","","2439.32","0.1","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N O4 S Si -","- C23 H32 F3 N O4 S Si -","- C92 H128 F12 N4 O16 S4 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0221","0.0214","","","0.0578","0.0583","","","","","","1.093","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4506584","12.6433","0.0004","13.8501","0.0004","14.684","0.0005","90","","90","","90","","2571.33","0.14","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N O3 Si -","- C27 H39 N O3 Si -","- C108 H156 N4 O12 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","1.54178","CuKα","","0.0244","0.0244","","","0.0657","0.0657","","","","","","1.034","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506585","7.5343","0.0003","8.5707","0.0004","25.2748","0.0011","90","","90","","90","","1632.1","0.12","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl N O Si -","- C16 H20 Cl N O Si -","- C64 H80 Cl4 N4 O4 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0245","0.0224","","","0.0582","0.0603","","","","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4506586","9.4259","0.0017","5.1093","0.001","12.799","0.002","90","","110.279","0.003","90","","578.19","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H8 Br N3 O3 -","- C11 H8 Br N3 O3 -","- C22 H16 Br2 N6 O6 -","2","1","","Li, Wenjun; Liu, Hui; Jiang, Xuefeng; Wang, Jian","Enantioselective Organocatalytic Conjugate Addition of Nitroalkanes to Electrophilic 2-Iminochromenes","ACS Catalysis","2012","2","8","1535","","10.1021/cs300313j","","","0.71073","MoKα","","0.037","0.033","","","0.0785","0.0798","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4506587","31.222","0.005","17.025","0.005","23.69","0.005","90","","101.133","0.005","90","","12356","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 Fe2 N16 O2 -","- C62 H70 Fe2 N16 O2 -","- C496 H560 Fe16 N128 O16 -","8","1","","Yu, Renyuan Pony; Darmon, Jonathan M.; Hoyt, Jordan M.; Margulieux, Grant W.; Turner, Zoë R.; Chirik, Paul J.","High-Activity Iron Catalysts for the Hydrogenation of Hindered, Unfunctionalized Alkenes","ACS Catalysis","2012","2","8","1760","","10.1021/cs300358m","","","1.54185","CuKα","","0.0795","0.0696","","","0.2117","0.2207","","","","","","1.054","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506588","15.7139","0.0007","10.318","0.0005","17.0218","0.0008","90","","98.758","0.001","90","","2727.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Fe N9 -","- C29 H29 Fe N9 -","- C116 H116 Fe4 N36 -","4","1","","Yu, Renyuan Pony; Darmon, Jonathan M.; Hoyt, Jordan M.; Margulieux, Grant W.; Turner, Zoë R.; Chirik, Paul J.","High-Activity Iron Catalysts for the Hydrogenation of Hindered, Unfunctionalized Alkenes","ACS Catalysis","2012","2","8","1760","","10.1021/cs300358m","","","0.71073","MoKα","","0.0631","0.0361","","","0.0808","0.094","","","","","","0.836","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4507135","9.7393","0.0004","13.5428","0.0006","16.9533","0.0007","94.039","0.001","104.186","0.001","109.322","0.001","2017.54","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H21 Ag3 F18 N6 -","- C39 H21 Ag3 F18 N6 -","- C78 H42 Ag6 F36 N12 -","2","1","","Flores, Jaime A.; Komine, Nobuyuki; Pal, Kuntal; Pinter, Balazs; Pink, Maren; Chen, Chun-Hsing; Caulton, Kenneth G.; Mindiola, Daniel J.","Silver(I)-Catalyzed Insertion of Carbene into Alkane C–H Bonds and the Origin of the Special Challenge of Methane Activation Using DFT as a Mechanistic Probe","ACS Catalysis","2012","2","10","2066","","10.1021/cs300256b","","","0.71073","MoKα","","0.0345","0.0233","","","0.0442","0.0479","","","","","","1.01","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507136","11.2332","0.0009","16.7375","0.0014","33.095","0.003","90","","90","","90","","6222.4","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","08212z","","","- C31 H31 Cl3 Cr N4 P -","- C31 H31 Cl3 Cr N4 P -","- C248 H248 Cl24 Cr8 N32 P8 -","8","1","","Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J.","Selective Ethylene Tri-/Tetramerization Catalysts","ACS Catalysis","2012","2","12","2452","","10.1021/cs300488t","","","0.71073","MoKα","","0.0636","0.0363","","","0.0865","0.0953","","","","","","0.99","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507137","11.5487","0.0016","14.419","0.002","15.38","0.002","90","","90","","90","","2561.1","0.6","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H26 Cl3 Cr N3 P -","- C23 H26 Cl3 Cr N3 P -","- C92 H104 Cl12 Cr4 N12 P4 -","4","1","","Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J.","Selective Ethylene Tri-/Tetramerization Catalysts","ACS Catalysis","2012","2","12","2452","","10.1021/cs300488t","","","0.71073","MoKα","","0.0613","0.0386","","","0.0802","0.0904","","","","","","1.021","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507138","10.788","0.002","12.131","0.005","16.206","0.005","89.72","0.02","71.49","0.03","64.83","0.02","1799.1","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","p-CymeneRu(2,6-Me2NacNac)OTf","","","- C33 H40 Cl3 F3 N2 O3 Ru S -","- C33 H40 Cl3 F3 N2 O3 Ru S -","- C66 H80 Cl6 F6 N4 O6 Ru2 S2 -","2","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.71073","MoKα","","0.1058","0.0631","","","0.1188","0.1386","","","","","","1.091","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507139","13.3963","0.0004","12.4531","0.0003","23.0725","0.0006","90","","106.164","0.003","90","","3696.92","0.18","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Cl3 F3 N2 O3 Ru S -","- C35 H44 Cl3 F3 N2 O3 Ru S -","- C140 H176 Cl12 F12 N8 O12 Ru4 S4 -","4","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.71073","MoKα","","0.0349","0.027","","","0.0603","0.0653","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507140","13.411","0.0009","14.9649","0.001","18.0317","0.0012","98.982","0.006","96.074","0.005","108.632","0.006","3340","0.4","133","2","133","2","","","","","","","","8","P -1","-P 1","2","C6H6Ru(2,6-Me2NacnacPhOTf.2THF","","","- C29.91 H29 Cl0.09 F2.73 N2 O2.73 Ru S0.91 -","- C29.909 H29 Cl0.091 F2.727 N2 O2.727 Ru S0.909 -","- C119.636 H116 Cl0.364 F10.908 N8 O10.908 Ru4 S3.636 -","4","2","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.71073","","","0.0898","0.0618","","","0.1532","0.1684","","","","","","0.961","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507141","7.7447","0.0002","12.5622","0.0004","12.1814","0.0004","90","","94.917","0.003","90","","1180.77","0.06","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","C6H6Ru(Me)2,6-MeNacnac","","","- C28 H34 N2 Ru -","- C28 H34 N2 Ru -","- C56 H68 N4 Ru2 -","2","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.7107","MoKα","","0.0192","0.0187","","","0.0466","0.047","","","","","","1.067","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507142","17.2281","0.0002","17.5318","0.0002","18.888","0.0002","90","","104.533","0.0005","90","","5522.39","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H48 B F25 N P2 Rh -","- C51 H48 B F25 N P2 Rh -","- C204 H192 B4 F100 N4 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0522","0.0395","","","0.0955","0.1044","","","","","","1.033","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507143","12.2384","0.0002","15.4948","0.0003","17.5543","0.0003","103.603","0.0007","109.864","0.0008","98.834","0.0007","2942.02","0.09","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C53 H51 B F24 N O P2 Rh S -","- C53 H51 B F24 N O P2 Rh S -","- C106 H102 B2 F48 N2 O2 P4 Rh2 S2 -","2","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0917","0.066","","","0.162","0.1787","","","","","","1.033","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507144","13.1403","0.0001","13.1403","0.0001","34.4622","0.0002","90","","90","","90","","5950.5","0.07","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C57 H52 B F26 P2 Rh -","- C57 H52 B F26 P2 Rh -","- C228 H208 B4 F104 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0443","0.0392","","","0.0959","0.0996","","","","","","1.023","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507145","17.7994","0.0001","17.3901","0.0002","19.0524","0.0002","90","","109.328","0.0004","90","","5564.97","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H49 B F25 P2 Rh -","- C52 H49 B F25 P2 Rh -","- C208 H196 B4 F100 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0637","0.0474","","","0.1217","0.1337","","","","","","1.015","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507146","12.6572","0.0001","13.247","0.0001","19.6804","0.0002","104.275","0.0005","106.494","0.0005","91.3854","0.0004","3050.53","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H56 B F26 P2 Rh -","- C59 H56 B F26 P2 Rh -","- C118 H112 B2 F52 P4 Rh2 -","2","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0653","0.0454","","","0.1086","0.1193","","","","","","1.033","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507147","13.8162","0.0001","18.0951","0.0001","26.4511","0.0003","90","","92.0377","0.0003","90","","6608.74","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H64 B F25 N P2 Rh -","- C63 H64 B F25 N P2 Rh -","- C252 H256 B4 F100 N4 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.078","0.0584","","","0.1438","0.1536","","","","","","1.078","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507148","12.747","0.001","14.427","0.001","19.799","0.001","90","","96.74","0.01","90","","3615.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cu N2 O -","- C39 H51 Cu N2 O -","- C156 H204 Cu4 N8 O4 -","4","1","","Pouy, Mark J.; Delp, Samuel A.; Uddin, Jamal; Ramdeen, Vijay M.; Cochrane, Nikki A.; Fortman, George C.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H.","Intramolecular Hydroalkoxylation and Hydroamination of Alkynes Catalyzed by Cu(I) Complexes Supported byN-Heterocyclic Carbene Ligands","ACS Catalysis","2012","2","10","2182","","10.1021/cs300544w","","","0.71073","MoKα","","0.0703","0.0427","","","0.1078","0.1195","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507149","14.5719","0.0015","17.2445","0.0018","7.3877","0.0008","90","","90","","90","","1856.4","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H18 Co O4 P -","- C19 H18 Co O4 P -","- C76 H72 Co4 O16 P4 -","4","1","","Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus","Ligand Effects on Reactivity of Cobalt Acyl Complexes","ACS Catalysis","2012","2","12","2512","","10.1021/cs300589n","","","0.71073","MoKα","","0.032","0.0279","","","0.0665","0.0683","","","","","","1.049","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507150","9.0646","0.0008","9.2649","0.0008","11.4599","0.001","94.012","0.006","108.645","0.005","109.326","0.005","843.74","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Co O3 P -","- C16 H25 Co O3 P -","- C32 H50 Co2 O6 P2 -","2","1","","Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus","Ligand Effects on Reactivity of Cobalt Acyl Complexes","ACS Catalysis","2012","2","12","2512","","10.1021/cs300589n","","","0.71073","MoKα","","0.0806","0.0592","","","0.1569","0.1798","","","","","","1.028","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507151","12.6461","0.0005","9.7325","0.0004","14.7834","0.0005","90","","110.949","0.002","90","","1699.24","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Co2 O6 P2 -","- C32 H50 Co2 O6 P2 -","- C64 H100 Co4 O12 P4 -","2","0.5","","Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus","Ligand Effects on Reactivity of Cobalt Acyl Complexes","ACS Catalysis","2012","2","12","2512","","10.1021/cs300589n","","","0.71073","MoKα","","0.0373","0.0295","","","0.0699","0.0741","","","","","","1.059","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4510835","10.3322","0.0004","10.5059","0.0005","10.5715","0.0005","90","","90","","90","","1147.53","0.09","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N O2 Rh -","- C11 H18 N O2 Rh -","- C44 H72 N4 O8 Rh4 -","4","1","","Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas","Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer","ACS Catalysis","2012","2","2","246","","10.1021/cs200607s","","","0.71073","MoKα","","0.03","0.0254","","0.0454","0.0442","0.0454","","","1.082","","","1.082","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510836","32.151","0.004","9.3724","0.001","19.869","0.003","90","","107.394","0.009","90","","5713.4","1.3","208","2","208","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H38 P Rh -","- C35 H38 P Rh -","- C280 H304 P8 Rh8 -","8","1","","Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas","Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer","ACS Catalysis","2012","2","2","246","","10.1021/cs200607s","","","0.71073","MoKα","","0.0502","0.0403","","0.094","0.0905","0.094","","","1.247","","","1.247","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510837","16.9808","0.0003","8.2512","0.0001","27.3173","0.0005","90","","122.317","0.001","90","","3234.62","0.1","293","2","293","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 N2 Ru -","- C14 H22 Cl2 N2 Ru -","- C112 H176 Cl16 N16 Ru8 -","8","2","","Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian","Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand","ACS Catalysis","2012","2","10","2087","","10.1021/cs300369j","","","0.71073","MoKα","","0.0553","0.0333","","","0.09","0.128","","","","","","0.971","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510838","14.9645","0.0001","14.1657","0.0001","15.9196","0.0001","90","","90","","90","","3374.68","0.04","293","2","293","2","","","","","","","synthesis","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Cl2 N2 Ru -","- C17 H22 Cl2 N2 Ru -","- C136 H176 Cl16 N16 Ru8 -","8","1","","Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian","Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand","ACS Catalysis","2012","2","10","2087","","10.1021/cs300369j","","","1.54184","CuKα","","0.0218","0.0208","","","0.055","0.0556","","","","","","1.035","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510839","12.1026","0.0005","11.1887","0.0005","11.2215","0.0003","90","","93.417","0.002","90","","1516.83","0.1","293","2","293","2","","","","","","","synthesis","5","C 1 c 1","C -2yc","9","","","","- C13 H20 Cl2 N2 Ru -","- C13 H20 Cl2 N2 Ru -","- C52 H80 Cl8 N8 Ru4 -","4","1","","Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian","Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand","ACS Catalysis","2012","2","10","2087","","10.1021/cs300369j","","","0.71073","MoKα","","0.0328","0.0293","","","0.0894","0.1032","","","","","","1.167","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510945","11.5399","0.0007","10.634","0.0004","21.9972","0.0013","90","","99.799","0.002","90","","2660","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H5 B F12 N6 O -","- C30 H5 B F12 N6 O -","- C120 H20 B4 F48 N24 O4 -","4","1","","Morse, Graham E.; Helander, Michael G.; Maka, Jozef F.; Lu, Zheng-Hong; Bender, Timothy P.","Fluorinated Phenoxy Boron Subphthalocyanines in Organic Light-Emitting Diodes","ACS Applied Materials & Interfaces","2010","2","7","1934","","10.1021/am1002603","","","0.71073","MoKα","","0.1473","0.0652","","","0.135","0.1709","","","","","","1.037","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510946","19.7225","0.0004","10.3637","0.0003","23.4591","0.0006","90","","93.387","0.0015","90","","4786.6","0.2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H12 B F5 N6 O -","- C30 H12 B F5 N6 O -","- C240 H96 B8 F40 N48 O8 -","8","1","","Morse, Graham E.; Helander, Michael G.; Maka, Jozef F.; Lu, Zheng-Hong; Bender, Timothy P.","Fluorinated Phenoxy Boron Subphthalocyanines in Organic Light-Emitting Diodes","ACS Applied Materials & Interfaces","2010","2","7","1934","","10.1021/am1002603","","","0.71073","MoKα","","0.0674","0.0432","","","0.1048","0.1205","","","","","","1.052","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510947","10.8303","0.0003","15.0749","0.0006","16.9006","0.0006","90","","90","","90","","2759.29","0.17","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 B F17 N6 O -","- C30 B F17 N6 O -","- C120 B4 F68 N24 O4 -","4","1","","Morse, Graham E.; Helander, Michael G.; Maka, Jozef F.; Lu, Zheng-Hong; Bender, Timothy P.","Fluorinated Phenoxy Boron Subphthalocyanines in Organic Light-Emitting Diodes","ACS Applied Materials & Interfaces","2010","2","7","1934","","10.1021/am1002603","","","0.71073","MoKα","","0.0808","0.0474","","","0.1098","0.1274","","","","","","1.045","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510948","6.2994","0.0001","9.2525","0.0002","11.2079","0.0002","66.7085","0.0011","86.1892","0.0011","87.2087","0.001","598.51","0.02","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C4 H32 Ca3 O26 P2 -","- C4 H32 Ca3 O26 P2 -","- C4 H32 Ca3 O26 P2 -","1","0.5","","Demadis, Konstantinos D.; Papadaki, Maria","Single-Crystalline Thin Films by a Rare Molecular Calcium Carboxyphosphonate Trimer Offer Prophylaxis From Metallic Corrosion","ACS Applied Materials & Interfaces","2010","2","7","1814","","10.1021/am100382r","","","0.71073","MoKα","","0.0234","0.0212","","","0.0572","0.0584","","","","","","1.053","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510949","19.6146","0.0018","8.231","0.0007","20.4254","0.0018","90","","116.566","0.001","90","","2949.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2t-SubPc","frechet06","","- C38 H21 B N6 O S2 -","- C38 H21 B N6 O S2 -","- C152 H84 B4 N24 O4 S8 -","4","1","","Mauldin, Clayton E.; Piliego, Claudia; Poulsen, Daniel; Unruh, David A.; Woo, Claire; Ma, Biwu; Mynar, Justin L.; Fréchet, Jean M. J.","Axial Thiophene−Boron(subphthalocyanine) Dyads and Their Application in Organic Photovoltaics","ACS Applied Materials & Interfaces","2010","2","10","2833","","10.1021/am100516a","","","0.7749","synchrotron","","0.0543","0.0426","","","0.1066","0.1139","","","","","","1.015","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4510950","10.9792","0.0003","11.0799","0.0003","16.4213","0.0004","70.532","0.001","81.631","0.001","74.241","0.001","1809.29","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","4T-SubPc","frechet07","","- C46 H25 B N6 O S4 -","- C46 H25 B N6 O S4 -","- C92 H50 B2 N12 O2 S8 -","2","1","","Mauldin, Clayton E.; Piliego, Claudia; Poulsen, Daniel; Unruh, David A.; Woo, Claire; Ma, Biwu; Mynar, Justin L.; Fréchet, Jean M. J.","Axial Thiophene−Boron(subphthalocyanine) Dyads and Their Application in Organic Photovoltaics","ACS Applied Materials & Interfaces","2010","2","10","2833","","10.1021/am100516a","","","1.54178","CuKα","","0.0373","0.0335","","","0.0874","0.091","","","","","","1.02","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4510951","29.4108","0.0014","10.3871","0.0005","29.3879","0.0014","90","","114.881","0.002","90","","8144.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AP-SubPC","frechet09","","- C33 H21 B N6 O -","- C33 H21 B N6 O -","- C396 H252 B12 N72 O12 -","12","3","","Mauldin, Clayton E.; Piliego, Claudia; Poulsen, Daniel; Unruh, David A.; Woo, Claire; Ma, Biwu; Mynar, Justin L.; Fréchet, Jean M. J.","Axial Thiophene−Boron(subphthalocyanine) Dyads and Their Application in Organic Photovoltaics","ACS Applied Materials & Interfaces","2010","2","10","2833","","10.1021/am100516a","","","1.54178","CuKα","","0.0806","0.0746","","","0.1957","0.201","","","","","","1.06","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4510952","6.4637","0.0013","7.656","0.0015","14.491","0.003","77.613","0.004","81.666","0.005","67.213","0.005","644.2","0.2","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H12 F6 N2 O2 S4 -","- C30 H12 F6 N2 O2 S4 -","- C30 H12 F6 N2 O2 S4 -","1","0.5","","Mamada, Masashi; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro","Novel semiconducting quinone for air-stable n-type organic field-effect transistors.","ACS applied materials & interfaces","2010","2","5","1303","1307","10.1021/am1001794","","","0.71075","MoKα","","","0.0966","","","","0.254","","","","","","1.004","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510953","4.1677","0.0003","6.6755","0.0004","21.1858","0.0015","90","","90.169","0.002","90","","589.42","0.07","93.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H2 I2 O2 S2 -","- C10 H2 I2 O2 S2 -","- C20 H4 I4 O4 S4 -","2","0.5","","Mamada, Masashi; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro","Novel semiconducting quinone for air-stable n-type organic field-effect transistors.","ACS applied materials & interfaces","2010","2","5","1303","1307","10.1021/am1001794","","","0.71075","MoKα","","","0.0465","","","","0.1112","","","","","","1.243","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511663","7.8764","0.0008","7.9089","0.0008","12.3566","0.0013","106.212","0.002","90.475","0.002","94.864","0.002","736.06","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 B Li N O4 -","- C14 H13 B Li N O5 -","- C28 H26 B2 Li2 N2 O10 -","2","1","","Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs","Structural Features of Lithium Organoborates","Crystal Growth & Design","2002","2","2","111","","10.1021/cg010035q","","","0.71073","MoKα","","0.0953","0.0525","","","0.1291","0.1576","","","","","","0.865","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511664","7.9406","0.0019","9.919","0.003","11.961","0.003","79.233","0.004","70.754","0.007","71.591","0.005","840.3","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 B Li O7 -","- C16 H20 B Li O7 -","- C32 H40 B2 Li2 O14 -","2","1","","Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs","Structural Features of Lithium Organoborates","Crystal Growth & Design","2002","2","2","111","","10.1021/cg010035q","","","0.71073","MoKα","","0.0666","0.0534","","","0.1381","0.1478","","","","","","1.044","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511665","8.874","0.002","17.329","0.006","14.646","0.004","90","","92.775","0.004","90","","2249.6","1.1","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H24 B Li O8 -","- C22 H24 B Li O8 -","- C88 H96 B4 Li4 O32 -","4","1","","Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs","Structural Features of Lithium Organoborates","Crystal Growth & Design","2002","2","2","111","","10.1021/cg010035q","","","0.71073","MoKα","","0.0835","0.0619","","","0.1525","0.1735","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511666","8.7941","0.0017","9.9647","0.0019","11.84","0.002","105.778","0.003","92.193","0.004","112.421","0.003","911.1","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 B Li N4 O6 -","- C18 H14 B Li N2 O6 -","- C36 H28 B2 Li2 N4 O12 -","2","1","","Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs","Structural Features of Lithium Organoborates","Crystal Growth & Design","2002","2","2","111","","10.1021/cg010035q","","","0.71073","MoKα","","0.0849","0.0659","","","0.2436","0.2517","","","","","","1.632","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4513623","5.8135","","5.8135","","8.2804","","90","","90","","90","","279.851","","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","Na K La Nb O5","","- K La Na Nb O5 -","- K La Na Nb O5 -","- K2 La2 Na2 Nb2 O10 -","2","0.125","","Liao, J.-H.; Tsai, M.-C.","Synthesis and crystal growth of two novel layered structures, Na K La Nb O5 and Na2 K2 Gd4 Nb2 O18, in molten hydroxide salts","Crystal Growth and Design","2002","2","","83","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4514421","19.9594","0.0004","3.5553","0.0001","19.0219","0.0003","90","","90","","90","","1349.83","0.05","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- H7 N5 O2 -","- H7 N5 O2 -","- H84 N60 O24 -","12","3","","Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M.","A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)","ACS Applied Energy Materials","2019","2","9","6919","","10.1021/acsaem.9b01447","","","1.54178","CuKα","","0.0585","0.0402","","","0.093","0.1025","","","","","","0.997","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514422","8.9331","0.001","3.7824","0.0004","8.6519","0.001","90","","90","","90","","292.34","0.06","173","2","173","2","","","","","","","","2","P m n a","-P 2ac 2","53","","","","- H4 N4 -","- H4 N4 -","- H16 N16 -","4","0.5","","Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M.","A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)","ACS Applied Energy Materials","2019","2","9","6919","","10.1021/acsaem.9b01447","","","0.71073","MoKα","","0.0284","0.0261","","","0.0714","0.0748","","","","","","1.179","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514423","5.641","0.002","5.521","0.002","11.306","0.004","90","","93.261","0.004","90","","351.5","0.2","243","2","243","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- H5 N5 -","- H5 N5 -","- H20 N20 -","4","1","","Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M.","A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)","ACS Applied Energy Materials","2019","2","9","6919","","10.1021/acsaem.9b01447","","","0.71073","MoKα","","0.0636","0.0454","","","0.1145","0.128","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514424","15.0653","0.0013","14.1204","0.0012","8.6201","0.0008","90","","90","","90","","1833.7","0.3","128","2","128","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Bi I5 N2 -","- C6 H18 Bi I5 N2 -","- C24 H72 Bi4 I20 N8 -","4","1","","Fabian, David M.; Ganose, Alex M.; Ziller, Joseph W.; Scanlon, David O.; Beard, Matthew C.; Ardo, Shane","Influence of One Specific Carbon‒Carbon Bond on the Quality, Stability, and Photovoltaic Performance of Hybrid Organic‒Inorganic Bismuth Iodide Materials","ACS Applied Energy Materials","2019","2","3","1579","","10.1021/acsaem.8b01809","","","0.71073","MoKα","","0.029","0.0282","","","0.0644","0.0646","","","","","","1.15","","","","has coordinates","219528","2020-10-21","18:00:00",""
"4514425","8.4726","0.001","12.2421","0.0015","17.789","0.002","92.014","0.002","92.398","0.002","108.002","0.001","1751","0.4","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H34 Bi2 I9 N3 O -","- C10 H34 Bi2 I9 N3 O -","- C20 H68 Bi4 I18 N6 O2 -","2","1","","Fabian, David M.; Ganose, Alex M.; Ziller, Joseph W.; Scanlon, David O.; Beard, Matthew C.; Ardo, Shane","Influence of One Specific Carbon‒Carbon Bond on the Quality, Stability, and Photovoltaic Performance of Hybrid Organic‒Inorganic Bismuth Iodide Materials","ACS Applied Energy Materials","2019","2","3","1579","","10.1021/acsaem.8b01809","","","0.71073","MoKα","","0.0844","0.0685","","","0.1352","0.1406","","","","","","1.18","","","","has coordinates,has disorder","219529","2020-10-21","18:00:00",""
"4514426","6.7814","0.0014","7.0285","0.0013","13.685","0.003","83.681","0.006","76.004","0.006","86.514","0.006","628.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 N8 O5 S -","- C7 H10 N8 O5 S -","- C14 H20 N16 O10 S2 -","2","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Aminonitro Groups Surrounding a Fused Pyrazolotriazine Ring: A Superior Thermally Stable and Insensitive Energetic Material","ACS Applied Energy Materials","2019","2","3","2263","","10.1021/acsaem.9b00049","","","0.71073","MoKα","","0.1497","0.058","","","0.1239","0.1568","","","","","","0.979","","","","has coordinates,has disorder","219530","2020-10-21","18:00:00",""
"4515256","9.0016","0.0003","10.0412","0.0002","15.461","0.0006","92.633","0.002","106.665","0.003","97.402","0.002","1322.56","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","1","","Lou, Xiaobing; Geng, Fushan; Hu, Bei; Li, Chao; Shen, Ming; Hu, Bingwen","Reversible High-Voltage N-Redox Chemistry in Metal–Organic Frameworks for High-Rate Anion-Intercalation Batteries","ACS Applied Energy Materials","2018","2","1","413","","10.1021/acsaem.8b01428","","x-ray","1.54184","CuKα","","0.087","0.0789","","","0.2322","0.2417","","","","","","1.1","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515257","15.3952","0.0002","18.0382","0.0002","18.1058","0.0002","90","","102.027","0.001","90","","4917.64","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H56 N8 O12 Zn2 -","- C45 H56 N8 O12 Zn2 -","- C180 H224 N32 O48 Zn8 -","4","1","","Lou, Xiaobing; Geng, Fushan; Hu, Bei; Li, Chao; Shen, Ming; Hu, Bingwen","Reversible High-Voltage N-Redox Chemistry in Metal‒Organic Frameworks for High-Rate Anion-Intercalation Batteries","ACS Applied Energy Materials","2018","2","1","413","","10.1021/acsaem.8b01428","","x-ray","1.54184","CuKα","","0.072","0.0647","","","0.1751","0.1808","","","","","","1.044","","","","has coordinates","225424","2020-10-21","18:00:00",""
"4516655","41.2089","0.0017","41.2089","0.0017","12.2663","0.0007","90","","90","","120","","18039.6","1.5","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C71.6 H32 Br4 O30 Th6 -","- C71.6 H32 Br4 O38 Th6 -","- C214.8 H96 Br12 O114 Th18 -","3","0.125","","Li, Peng; Wang, Xingjie; Otake, Ken-ichi; Lyu, Jiafei; Hanna, Sylvia L.; Islamoglu, Timur; Farha, Omar K.","Synthetic Control of Thorium Polyoxo-Clusters in Metal‒Organic Frameworks toward New Thorium-Based Materials","ACS Applied Nano Materials","2019","2","4","2260","","10.1021/acsanm.9b00188","","","1.54178","CuKα","","0.0396","0.0294","","","0.0674","0.0698","","","","","","1.061","","","","has coordinates","239432","2020-10-21","18:00:00",""
"4516656","27.0704","0.0008","27.0704","0.0008","33.5896","0.0012","90","","90","","120","","21316.9","1.2","200","2","200","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C71 H38 Br4 N O28.5 Th4 -","- C71 H38 Br4 N O28.5066 Th4 -","- C426 H228 Br24 N6 O171.04 Th24 -","6","0.25","","Li, Peng; Wang, Xingjie; Otake, Ken-ichi; Lyu, Jiafei; Hanna, Sylvia L.; Islamoglu, Timur; Farha, Omar K.","Synthetic Control of Thorium Polyoxo-Clusters in Metal‒Organic Frameworks toward New Thorium-Based Materials","ACS Applied Nano Materials","2019","2","4","2260","","10.1021/acsanm.9b00188","","","1.54178","CuKα","","0.0614","0.0488","","","0.1543","0.1654","","","","","","1.175","","","","has coordinates,has disorder","239433","2020-10-21","18:00:00",""
"4516657","20.7051","0.0006","24.9288","0.0008","63.4039","0.0016","90","","90","","90","","32726.1","1.6","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C91 H46 N2 O38 Zr6 -","- C91 H46 N2 O38 Zr6 -","- C728 H368 N16 O304 Zr48 -","8","1","","Chen, Yongwei; Zhang, Xuan; Ma, Kaikai; Chen, Zhijie; Wang, Xingjie; Knapp, Julia; Alayoglu, Selim; Wang, Fenfen; Xia, Qibin; Li, Zhong; Islamoglu, Timur; Farha, Omar K.","Zirconium-Based Metal‒Organic Framework with 9-Connected Nodes for Ammonia Capture","ACS Applied Nano Materials","2019","2","10","6098","","10.1021/acsanm.9b01534","","x-ray","1.54178","CuKα","","0.0303","0.0294","","","0.0735","0.0739","","","","","","1.05","","","","has coordinates,has disorder","239434","2020-10-21","18:00:00",""
"4516748","5.9867","0.0007","13.6517","0.0015","8.5379","0.0009","90","","97.16","0.006","90","","692.35","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O5 -","- C14 H22 O5 -","- C28 H44 O10 -","2","1","","Villaume, Matthew T.; Sella, Eran; Saul, Garrett; Borzilleri, Robert M.; Fargnoli, Joseph; Johnston, Kathy A.; Zhang, Haiying; Fereshteh, Mark P.; Dhar, T. G. Murali; Baran, Phil S.","Antroquinonol A: Scalable Synthesis and Preclinical Biology of a Phase 2 Drug Candidate.","ACS central science","2016","2","1","27","31","10.1021/acscentsci.5b00345","","x-ray","1.54178","CuKα","","0.0291","0.0287","","","0.0737","0.0743","","","","","","1.096","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516749","12.3053","0.0009","12.3053","0.0009","12.3053","0.0009","90","","90","","90","","1863.3","0.2","296","2","296","2","","","","","","","","5","I m -3","-I 2 2 3","204","MAPbI3","","","- C H6 I3 N Pb -","- C I3 N1.00005 Pb -","- C8 I24 N8.0004 Pb8 -","8","0.166667","","Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I.","High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.","ACS central science","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.35424","synchrotron","","0.1138","0.0949","","","0.2824","0.3255","","","","","","1.145","","","","has coordinates","239508","2020-10-21","18:00:00",""
"4516750","11.5","0.005","11.5","0.005","11.5","0.005","90","","90","","90","","1520.9","1.1","296","2","296","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C H6 Br3 N Pb -","- C0.9999 Br3 N0.9999 Pb -","- C7.9992 Br24 N7.9992 Pb8 -","8","0.166667","","Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I.","High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.","ACS central science","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.35424","synchrotron","","0.0891","0.0607","","","0.1562","0.1765","","","","","","1.197","","","","has coordinates","239509","2020-10-21","18:00:00",""
"4516751","5.9328","0.0014","5.9328","0.0014","5.9328","0.0014","90","","90","","90","","208.82","0.09","296","2","296","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 Br3 N Pb -","- C0.9998 Br3 N0.9998 Pb -","- C0.9998 Br3 N0.9998 Pb -","1","0.0208333","","Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I.","High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.","ACS central science","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.7293","synchrotron","","0.0153","0.0153","","","0.0408","0.0408","","","","","","1.274","","","","has coordinates,has disorder","239510","2020-10-21","18:00:00",""
"4516752","12.4984","0.0007","12.5181","0.0007","12.6012","0.0008","90","","90","","90","","1971.5","0.2","296","2","296","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C8 I24 N8 Pb8 -","8","0.25","","Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I.","High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.","ACS central science","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.6888","synchrotron","","0.0731","0.0555","","","0.1831","0.1948","","","","","","1.114","","","","has coordinates","239511","2020-10-21","18:00:00",""
"4516753","10.90121","0.00007","15.32686","0.00008","23.05188","0.00014","90","","103.525","0.0006","90","","3744.73","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N3 O S -","- C22 H20 N3 O S -","- C176 H160 N24 O8 S8 -","8","2","","Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H.","Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.","ACS central science","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0468","0.0434","","","0.1217","0.1249","","","","","","1.48","","","","has coordinates","239512","2020-10-21","18:00:00",""
"4516754","14.8484","0.0007","7.4553","0.0003","19.0765","0.0008","90","","91.789","0.004","90","","2110.73","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F N3 O2 S -","- C24 H20 F N3 O2 S -","- C96 H80 F4 N12 O8 S4 -","4","1","","Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H.","Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.","ACS central science","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0538","0.0408","","","0.1008","0.1093","","","","","","1.101","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516755","10.1845","0.0003","14.5371","0.0003","17.6442","0.0004","85.8106","0.0018","79.751","0.002","75.672","0.002","2489.48","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 F3 N3 O S -","- C28 H26 F3 N3 O S -","- C112 H104 F12 N12 O4 S4 -","4","2","","Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H.","Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.","ACS central science","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0568","0.0497","","","0.1281","0.1336","","","","","","1.362","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516756","8.7272","0.0002","11.5408","0.0002","12.2161","0.0002","85.6","0.002","78.315","0.002","72.701","0.002","1150.21","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 F3 N4 O S -","- C25 H19 F3.00001 N4 O S -","- C50 H38 F6.00001 N8 O2 S2 -","2","1","","Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H.","Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.","ACS central science","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0569","0.0559","","","0.1331","0.1338","","","","","","1.121","","","","has coordinates,has disorder","239515","2020-10-21","18:00:00",""
"4516757","6.4617","0.0002","18.6546","0.0007","9.1924","0.0004","90","","94.833","0.001","90","","1104.12","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl F3 I O2 -","- C9 H7 Cl F3 I O2 -","- C36 H28 Cl4 F12 I4 O8 -","4","1","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.039","0.0376","","","0.0998","0.1013","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516758","15.989","0.0009","8.7606","0.0005","19.0524","0.0011","90","","93.788","0.003","90","","2662.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 B F7 I O S0 -","- C10 H11 B F7 I O -","- C80 H88 B8 F56 I8 O8 -","8","2","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0565","0.048","","","0.1144","0.12","","","","","","1.092","","","","has coordinates","239517","2020-10-21","18:00:00",""
"4516759","18.8002","0.0013","16.2335","0.0011","15.7805","0.0011","90","","108.884","0.001","90","","4556.9","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C8.5 H5.75 Cl F3 I N0.25 O2 -","- C8.5 H5.75 Cl F3 I N0.25 O2 -","- C136 H92 Cl16 F48 I16 N4 O32 -","16","4","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0291","0.028","","","0.0684","0.0692","","","","","","1.126","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516760","12.0089","0.0004","25.0752","0.0009","12.5156","0.0004","90","","115.465","0.001","90","","3402.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl F7 I Si -","- C12 H13 Cl F7 I Si -","- C96 H104 Cl8 F56 I8 Si8 -","8","2","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0263","0.0246","","","0.0561","0.0569","","","","","","1.095","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516761","8.1777","0.0004","17.9834","0.0008","8.8898","0.0004","90","","115.825","0.001","90","","1176.79","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cl F3 I O -","- C10 H11 Cl F3 I O -","- C40 H44 Cl4 F12 I4 O4 -","4","1","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0401","0.0376","","","0.0784","0.0793","","","","","","1.319","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516762","11.2059","0.0011","13.8263","0.0013","9.0501","0.0009","90","","94.868","0.002","90","","1397.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl F3 I O2 -","- C12 H13 Cl F3 I O2 -","- C48 H52 Cl4 F12 I4 O8 -","4","1","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.03","0.0262","","","0.0623","0.0647","","","","","","1.138","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516763","17.8318","0.0007","17.9175","0.0007","20.2085","0.0008","90","","90","","90","","6456.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 N4 O S -","- C34 H44 N4 O S -","- C272 H352 N32 O8 S8 -","8","2","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.063","0.0403","","","0.0751","0.0817","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516764","11.9463","0.0005","14.2569","0.0006","12.379","0.0005","90","","115.498","0.0007","90","","1903","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H56 N4 O2 S -","- C39 H56 N4 O2 S -","- C78 H112 N8 O4 S2 -","2","1","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.0986","0.0898","","","0.1818","0.1864","","","","","","1.07","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516765","5.6658","0.0001","13.9473","0.0003","16.7395","0.0004","90","","90","","90","","1322.8","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","1.54178","CuKα","","0.0287","0.0279","","","0.0701","0.0707","","","","","","1.04","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516766","5.9577","0.0003","24.1397","0.0013","9.4019","0.0005","90","","90","","90","","1352.15","0.12","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C11 H19 Cs O4 -","- C11 H19 Cs O4 -","- C44 H76 Cs4 O16 -","4","0.5","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.0506","0.0291","","","0.0412","0.0453","","","","","","1.07","","","","has coordinates,has disorder","239522","2020-10-21","18:00:00",""
"4516767","17.5978","0.0005","17.5978","0.0005","10.1363","0.0004","90","","90","","120","","2718.48","0.15","100","2","100","2","","","","","","","","5","P 61","P 61","169","azide_6b","azide_6b","","- C16 H16 F3 N3 O6 -","- C16 H16 F3 N3 O6 -","- C96 H96 F18 N18 O36 -","6","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0467","0.0453","","","0.1389","0.1404","","","","","","1.17","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516768","6.1715","0.0003","10.419","0.0006","22.9681","0.0013","90","","90","","90","","1476.87","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azide_3h","azide_3h","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0301","0.0299","","","0.0825","0.0826","","","","","","1.104","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516769","12.8744","0.0007","11.4434","0.0007","13.9437","0.0008","90","","107.307","0.002","90","","1961.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6c","azide_6c","","- C45 H58 F3 N3 O4 -","- C45 H58 F3 N3 O4 -","- C90 H116 F6 N6 O8 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0395","0.0382","","","0.103","0.1041","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516770","10.1594","0.0005","6.5226","0.0003","11.7589","0.0005","90","","100.773","0.003","90","","765.48","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","azide_3f","azide_3f","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C30 H46 N6 O6 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0559","0.048","","","0.1239","0.131","","","","","","1.071","","","","has coordinates","239526","2020-10-21","18:00:00",""
"4516771","9.591","0.0006","10.1778","0.0006","11.4314","0.0007","90","","102.57","0.002","90","","1089.13","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6f","azide_6f","","- C24 H26 F3 N5 O4 -","- C24 H26 F3 N5 O4 -","- C48 H52 F6 N10 O8 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0291","0.0291","","","0.0766","0.0767","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516772","17.681","0.002","5.8685","0.0007","14.2464","0.0019","90","","98.134","0.008","90","","1463.3","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","azide_3g","azide_3g","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0456","0.0433","","","0.1121","0.1151","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516773","7.9614","0.0005","10.5937","0.0007","17.3592","0.0011","90","","93.179","0.003","90","","1461.83","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6e","azide_6e","","- C27 H38 F3 N3 O9 -","- C27 H38 F3 N3 O9 -","- C54 H76 F6 N6 O18 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0394","0.0386","","","0.105","0.1056","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516774","5.8607","0.0003","13.4039","0.0007","18.8487","0.001","90","","90","","90","","1480.68","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azide_3i","azide_3i","","- C15 H25 N3 O -","- C15 H25 N3 O -","- C60 H100 N12 O4 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0309","0.03","","","0.0779","0.0785","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516775","8.1836","0.0002","10.5248","0.0002","13.9957","0.0003","90","","103.058","0.001","90","","1174.29","0.04","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","azide_4c","azide_4c","","- C22 H26 N6 O7 -","- C22 H26 N6 O7 -","- C44 H52 N12 O14 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0439","0.0387","","","0.0963","0.1005","","","","","","1.043","","","","has coordinates,has disorder","239531","2020-10-21","18:00:00",""
"4516776","9.7605","0.0008","11.09","0.0009","13.2025","0.0011","109.848","0.004","103.373","0.004","96.594","0.004","1278.22","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H40 Co N O P2 -","- C25 H40 Co N O P2 -","- C50 H80 Co2 N2 O2 P4 -","2","1","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","0.71073","MoKα","","0.0311","0.0262","","","0.0663","0.0691","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516777","10.439","0.0004","10.563","0.0003","13.6925","0.0005","67.685","0.001","73.201","0.001","74.555","0.001","1316.09","0.08","106","2","106","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Co N O2 P2 -","- C26 H40 Co N O2 P2 -","- C52 H80 Co2 N2 O4 P4 -","2","1","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","0.71073","MoKα","","0.0272","0.0251","","","0.0661","0.0677","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516778","12.171","0.002","12.756","0.002","17.977","0.003","90","","102.445","0.007","90","","2725.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Co N O P2 -","- C27 H40 Co N O P2 -","- C108 H160 Co4 N4 O4 P8 -","4","1","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","0.71073","MoKα","","0.0542","0.0366","","","0.0824","0.0906","","","","","","1.046","","","","has coordinates","239532","2020-10-21","18:00:00",""
"4516779","21.8371","0.0005","9.5233","0.0002","15.8508","0.0003","90","","98.396","0.001","90","","3261.02","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 Co N O4 P2 -","- C33 H45 Co N O4 P2 -","- C132 H180 Co4 N4 O16 P8 -","4","0.5","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","1.54178","CuKα","","0.0309","0.0276","","","0.0787","0.0974","","","","","","1.254","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516780","10.1526","0.0004","11.188","0.0004","11.4068","0.0004","90","","94.395","0.001","90","","1291.86","0.08","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","1","0.5","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","1.54178","CuKα","","0.0633","0.0628","","","0.1785","0.1793","","","","","","1.117","","","","has coordinates","239532","2020-10-21","18:00:00",""
"4516830","6.08329","0.00007","10.36929","0.00011","28.0962","0.0003","90","","90","","90","","1772.29","0.03","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Zhou, Zhi-Hua; Song, Qing-Wen; He, Liang-Nian","Silver(I)-Promoted Cascade Reaction of Propargylic Alcohols, Carbon Dioxide, and Vicinal Diols: Thermodynamically Favorable Route to Cyclic Carbonates.","ACS omega","2017","2","1","337","345","10.1021/acsomega.6b00407","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0791","0.0792","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516831","5.654","0.003","13.433","0.012","22.786","0.013","90","","90","","90","","1731","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C92 H60 N12 O4 -","4","1","","Reddy Kotla, Siva K.; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng; Parang, Keykavous; Tiwari, Rakesh K.","Palladium-Catalyzed Intramolecular Cross-Dehydrogenative Coupling: Synthesis of Fused Imidazo[1,2-<i>a</i>]pyrimidines and Pyrazolo[1,5-<i>a</i>]pyrimidines.","ACS omega","2017","2","1","11","19","10.1021/acsomega.6b00417","","","0.71073","MoKα","","0.2127","0.0726","","","0.1086","0.1405","","","","","","0.987","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516832","11.8882","0.0007","9.102","0.0005","13.5891","0.0007","90","","94.43","0.03","90","","1466.03","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C76 H52 N12 O4 -","4","1","","Reddy Kotla, Siva K.; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng; Parang, Keykavous; Tiwari, Rakesh K.","Palladium-Catalyzed Intramolecular Cross-Dehydrogenative Coupling: Synthesis of Fused Imidazo[1,2-<i>a</i>]pyrimidines and Pyrazolo[1,5-<i>a</i>]pyrimidines.","ACS omega","2017","2","1","11","19","10.1021/acsomega.6b00417","","","1.34139","GaKα","","0.069","0.0606","","","0.1655","0.1734","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516833","7.581","0.002","16.404","0.004","16.285","0.005","90","","102.321","0.006","90","","1978.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn4(Hdtim)4(H2O)8]","2014/6","","- C20 H24 Mn4 N40 O8 -","- C20 H24 Mn4 N40 O8 -","- C40 H48 Mn8 N80 O16 -","2","0.5","","Xu, Jian-Gang; Wang, Shuai-Hua; Zhang, Ming-Jian; Sun, Cai; Xiao, Yu; Li, Rong; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials.","ACS omega","2017","2","1","346","352","10.1021/acsomega.6b00431","","","0.71073","MoKα","","0.1437","0.0699","","","0.1248","0.148","","","","","","1.065","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516834","7.5445","0.0008","16.0615","0.0018","16.153","0.002","90","","102.219","0.002","90","","1913","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Zn4(Hdtm)4(H2O)8]","","","- C20 H24 N40 O8 Zn4 -","- C20 H24 N40 O8 Zn4 -","- C40 H48 N80 O16 Zn8 -","2","0.5","","Xu, Jian-Gang; Wang, Shuai-Hua; Zhang, Ming-Jian; Sun, Cai; Xiao, Yu; Li, Rong; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials.","ACS omega","2017","2","1","346","352","10.1021/acsomega.6b00431","","","0.71073","MoKα","","0.0412","0.0367","","","0.1146","0.1278","","","","","","0.999","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516835","9.796","","18.22","","22.12","","90","","90","","90","","3948.05","","296","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C160 H112 F48 O32 -","8","1","","Li, Fang-Ling; Wang, Lei; Li, Cui-Hua; Liu, Ning; Dai, Bin","Substrate-Controlled Product Divergence: Silver-Catalyzed Reaction of Trifluoromethyl Ketones with Terminal Alkynes.","ACS omega","2017","2","3","1104","1115","10.1021/acsomega.6b00432","","","0.71073","MoKα","","0.0833","0.039","","","0.0992","0.1262","","","","","","0.984","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516836","13.957","","8.572","","17.061","","90","","104.7","","90","","1974.36","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C80 H56 F24 O16 -","4","1","","Li, Fang-Ling; Wang, Lei; Li, Cui-Hua; Liu, Ning; Dai, Bin","Substrate-Controlled Product Divergence: Silver-Catalyzed Reaction of Trifluoromethyl Ketones with Terminal Alkynes.","ACS omega","2017","2","3","1104","1115","10.1021/acsomega.6b00432","","","0.71073","MoKα","","0.0643","0.0412","","","0.1085","0.1255","","","","","","1.005","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516837","17.0405","0.0003","17.0405","0.0003","28.3198","0.001","90","","90","","90","","8223.5","0.4","100","2","100","2","","","","","","","","7","I -4 c 2","I -4 -2c","120","","","","- C40 H32 B Cl2 Cr F20 O4 -","- C40 H32 B Cl2 Cr F20 O4 -","- C320 H256 B8 Cl16 Cr8 F160 O32 -","8","0.5","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0752","0.038","","","0.0654","0.0745","","","","","","0.988","","","","has coordinates","239581","2020-10-21","18:00:00",""
"4516838","7.0261","0.0003","28.8953","0.0011","11.939","0.0005","90","","100.211","0.002","90","","2385.48","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cr N3 -","- C27 H36 Cr N3 -","- C108 H144 Cr4 N12 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0348","0.0312","","","0.0923","0.095","","","","","","1.02","","","","has coordinates","239582","2020-10-21","18:00:00",""
"4516839","20.9402","0.0014","17.88","0.0012","17.0227","0.0012","90","","113.683","0.004","90","","5836.7","0.7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C59 H43 B Cl2 Cr F20 N O2 P2 -","- C59 H43 B Cl2 Cr F20 N O2 P2 -","- C236 H172 B4 Cl8 Cr4 F80 N4 O8 P8 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.1355","0.0624","","","0.1433","0.1759","","","","","","0.995","","","","has coordinates","239583","2020-10-21","18:00:00",""
"4516840","10.5859","0.0004","27.5961","0.0011","25.9776","0.0011","90","","97.937","0.003","90","","7516.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78.5 H55 B Cl3 Cr F20 N2 P4 -","- C78.5 H55 B Cl3 Cr F20 N2 P4 -","- C314 H220 B4 Cl12 Cr4 F80 N8 P16 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.1662","0.1116","","","0.2752","0.313","","","","","","1.081","","","","has coordinates","239584","2020-10-21","18:00:00",""
"4516841","10.9963","0.0005","17.015","0.0008","19.1408","0.0009","90","","105.158","0.002","90","","3456.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H12 Ag B F20 N4 -","- C32 H12 Ag B F20 N4 -","- C128 H48 Ag4 B4 F80 N16 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0557","0.0396","","","0.0979","0.1059","","","","","","1.001","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516842","8.7648","0.0003","15.8313","0.0004","13.7699","0.0004","90","","92.006","0.001","90","","1909.52","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl2 N2 Ni -","- C21 H20 Cl2 N2 Ni -","- C84 H80 Cl8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0438","0.0318","","","0.0763","0.083","","","","","","1.033","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516843","8.8898","0.0002","16.2357","0.0005","13.6964","0.0004","90","","92.812","0.001","90","","1974.45","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br2 N2 Ni -","- C21 H20 Br2 N2 Ni -","- C84 H80 Br8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0461","0.028","","","0.0639","0.071","","","","","","1.025","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516844","10.6392","0.0002","13.9963","0.0002","14.0566","0.0003","90","","93.891","0.001","90","","2088.34","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 I2 N2 Ni -","- C21 H20 I2 N2 Ni -","- C84 H80 I8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0515","0.0343","","","0.0728","0.0797","","","","","","1.023","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516845","14.9404","0.0009","14.3046","0.0009","18.9865","0.0008","90","","101.592","0.002","90","","3975","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Cl4 N4 Ni O4 -","- C41 H38 Cl4 N4 Ni O4 -","- C164 H152 Cl16 N16 Ni4 O16 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0831","0.0563","","","0.1421","0.1579","","","","","","1.055","","","","has coordinates,has disorder","239586","2020-10-21","18:00:00",""
"4516846","14.9042","0.0009","14.4103","0.0009","19.0672","0.0009","90","","101.68","0.002","90","","4010.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Br Cl3 N4 Ni O4 -","- C41 H38 Br Cl3.002 N4 Ni O4 -","- C164 H152 Br4 Cl12.008 N16 Ni4 O16 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0862","0.0438","","","0.0924","0.1098","","","","","","1","","","","has coordinates,has disorder","239586","2020-10-21","18:00:00",""
"4516847","9.8216","0.0005","10.4129","0.0005","18.4809","0.0009","86.609","0.003","77.757","0.003","82.462","0.003","1830.16","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 Cl I N4 Ni O4 -","- C40 H36 Cl I N4 Ni O4 -","- C80 H72 Cl2 I2 N8 Ni2 O8 -","2","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0923","0.0518","","","0.1385","0.1608","","","","","","1.029","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516848","6.4312","0.00013","22.8417","0.0005","15.8232","0.0003","90","","95.972","0.002","90","","2311.81","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N3 O -","- C30 H27 N3 O -","- C120 H108 N12 O4 -","4","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.0404","0.0371","","","0.1009","0.1055","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516849","14.5573","0.0016","8.6999","0.0009","12.7827","0.0014","90","","96.586","0.01","90","","1608.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","","0.7107","MoKα","","0.0709","0.0558","","","0.1305","0.1427","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516850","16.8731","0.0005","13.9085","0.0004","21.1754","0.0006","90","","93.668","0.003","90","","4959.3","0.2","100","2","100","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C56 H52 B2 Cu F8 N4 O4 -","- C56 H52 B2 Cu F8 N4 O4 -","- C224 H208 B8 Cu4 F32 N16 O16 -","4","0.5","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","","0.7107","MoKα","","0.0336","0.0297","","","0.1127","0.1175","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516851","12.1035","0.0006","7.5373","0.0003","24.9505","0.0014","90","","102.083","0.005","90","","2225.75","0.19","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.063","0.0425","","","0.1022","0.1117","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516852","20.8249","0.0004","8.55531","0.00017","24.3304","0.0005","90","","90","","90","","4334.79","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N3 O -","- C28 H26 N3 O -","- C224 H208 N24 O8 -","8","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.0452","0.0388","","","0.125","0.1339","","","","","","1.099","","","","has coordinates","239591","2020-10-21","18:00:00",""
"4516853","7.51","0.005","18.28","0.006","9.683","0.004","90","","107.65","0.04","90","","1266.7","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br2 N -","- C13 H11 Br2 N -","- C52 H44 Br8 N4 -","4","1","","Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion.","ACS omega","2017","2","4","1265","1272","10.1021/acsomega.7b00133","","","0.71069","MoKα","","","0.0618","","","","0.1793","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516854","8.818","0.002","11.378","0.003","11.618","0.003","90","","100.853","0.017","90","","1144.8","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl N -","- C13 H10 Cl N -","- C52 H40 Cl4 N4 -","4","1","","Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion.","ACS omega","2017","2","4","1265","1272","10.1021/acsomega.7b00133","","","0.71069","MoKα","","","0.0478","","","","0.163","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516855","5.5786","0.0008","7.5398","0.0011","23.223","0.004","90","","90","","90","","976.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0597","0.0451","","","0.1127","0.1209","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516856","9.9925","0.0006","17.2375","0.001","14.6398","0.0008","90","","94.895","0.001","90","","2512.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 I2 N4 O2 Pd -","- C23 H24 I2 N4 O2 Pd -","- C92 H96 I8 N16 O8 Pd4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0398","0.0311","","","0.093","0.1001","","","","","","1.041","","","","has coordinates","239595","2020-10-21","18:00:00",""
"4516857","5.6463","0.0003","8.2933","0.0004","26.5684","0.0014","90","","93.68","0.001","90","","1241.54","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 B F4 N2 O -","- C11 H13 B F4 N2 O -","- C44 H52 B4 F16 N8 O4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.055","0.0417","","","0.0981","0.1071","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516858","36.0917","0.0015","5.1773","0.0002","13.821","0.0006","90","","91.583","0.001","90","","2581.57","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 I2 N4 O2 -","- C23 H26 I2 N4 O2 -","- C92 H104 I8 N16 O8 -","4","0.5","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0243","0.0209","","","0.0659","0.0698","","","","","","0.991","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516859","7.3415","0.0001","10.2832","0.0001","17.6002","0.0002","90","","90","","90","","1328.71","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Aranzamendi, Eider; Sotomayor, Nuria; Lete, Esther","Phenolic Activation in Chiral Brønsted Acid-Catalyzed Intramolecular α-Amidoalkylation Reactions for the Synthesis of Fused Isoquinolines.","ACS omega","2017","2","6","2706","2718","10.1021/acsomega.7b00170","","x-ray","1.54184","CuKα","","0.026","0.0254","","","0.065","0.0655","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516860","22.9275","0.0011","10.705","0.0004","30.4859","0.001","90","","90","","90","","7482.4","0.5","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H88 Cu4 N8 Na3 O30 P -","- C62 H58 Cu4 N8 Na3 O30 P -","- C248 H232 Cu16 N32 Na12 O120 P4 -","4","0.5","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","x-ray","0.71073","MoKα","","0.1093","0.0722","","","0.175","0.1977","","","","","","1.061","","","","has coordinates,has disorder","239599","2020-10-21","18:00:00",""
"4516861","23.4332","0.0006","10.3864","0.0003","30.7434","0.0009","90","","90","","90","","7482.5","0.4","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H92.3 As Cu4 K2 N8 O31.67 -","- C62 H58 As Cu4 K2 N8 O31.67 -","- C248 H232 As4 Cu16 K8 N32 O126.68 -","4","0.5","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","x-ray","0.71073","MoKα","","0.0538","0.0479","","","0.1321","0.1364","","","","","","1.109","","","","has coordinates,has disorder","239600","2020-10-21","18:00:00",""
"4516862","32.2177","0.0015","13.35","0.0006","39.051","0.002","90","","108.074","0.006","90","","15967.3","1.4","100","2","100","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C62 H90 Cl3 N8 Na O28.5 P Zn4 -","- C62 H58 Cl3 N8 Na O28.5 P Zn4 -","- C496 H464 Cl24 N64 Na8 O228 P8 Zn32 -","8","1","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","","1.54184","CuKα","","0.1141","0.0977","","","0.2794","0.2989","","","","","","1.043","","","","has coordinates,has disorder","239601","2020-10-21","18:00:00",""
"4516863","12.3561","0.0009","21.5867","0.0016","25.9119","0.0019","90","","97.685","0.001","90","","6849.3","0.9","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H62 Br4 Cl2 O3 P2 Pd2 -","- C71 H62 Br4 Cl2 O3 P2 Pd2 -","- C284 H248 Br16 Cl8 O12 P8 Pd8 -","4","1","","Leung, Franco King-Chi; Ishiwari, Fumitaka; Shoji, Yoshiaki; Nishikawa, Tsuyoshi; Takeda, Ryohei; Nagata, Yuuya; Suginome, Michinori; Uozumi, Yasuhiro; Yamada, Yoichi M. A.; Fukushima, Takanori","Synthesis and Catalytic Applications of a Triptycene-Based Monophosphine Ligand for Palladium-Mediated Organic Transformations.","ACS omega","2017","2","5","1930","1937","10.1021/acsomega.7b00200","","","0.71073","MoKα","","0.044","0.0377","","","0.099","0.1037","","","","","","1.025","","","","has coordinates,has disorder","239602","2020-10-21","18:00:00",""
"4516864","10.4695","0.0007","13.2135","0.0007","20.0206","0.0011","80.529","0.004","75.371","0.005","72.857","0.005","2548.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 Al2 N2 P2 -","- C56 H74 Al2 N2 P2 -","- C112 H148 Al4 N4 P4 -","2","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0827","0.0603","","","0.1264","0.1355","","","","","","1.053","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516865","8.86","0.0002","17.185","0.0004","18.9406","0.0005","90","","96.662","0.002","90","","2864.41","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 Al N P -","- C32 H43 Al N P -","- C128 H172 Al4 N4 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0547","0.0446","","","0.1034","0.1084","","","","","","1.033","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516866","9.0888","0.0005","12.6922","0.0008","18.1397","0.001","81.178","0.005","75.876","0.005","71.478","0.005","1917.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H53 Al N P -","- C44 H53 Al N P -","- C88 H106 Al2 N2 P2 -","2","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0516","0.0415","","","0.0984","0.1029","","","","","","1.017","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516867","22.224","0.001","10.3811","0.0003","19.8887","0.0008","90","","106.535","0.004","90","","4398.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Al N P Si -","- C48 H60 Al N P Si -","- C192 H240 Al4 N4 P4 Si4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0651","0.0507","","","0.117","0.1236","","","","","","1.035","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516868","11.2201","0.0003","17.0091","0.0005","34.4339","0.0012","90","","90","","90","","6571.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H94 Al2 N2 P2 Si2 -","- C66 H94 Al2 N2 P2 Si2 -","- C264 H376 Al8 N8 P8 Si8 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0512","0.0448","","","0.0954","0.0985","","","","","","1.101","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516869","9.8448","0.0002","21.6758","0.0004","18.8506","0.0004","90","","103.603","0.002","90","","3909.76","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Al Br N P -","- C43 H51 Al Br N P -","- C172 H204 Al4 Br4 N4 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","1.54178","CuKα","","0.0413","0.0381","","","0.0971","0.1009","","","","","","1.032","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516870","12.8768","0.0004","15.7414","0.0005","16.2486","0.0006","90","","102.37","0.003","90","","3217.11","0.19","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 Al Br N2 P -","- C35 H41 Al Br N2 P -","- C140 H164 Al4 Br4 N8 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","1.54178","CuKα","","0.0589","0.0535","","","0.1359","0.1453","","","","","","1.039","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516871","10.4534","0.0002","21.1539","0.0005","17.4007","0.0004","90","","94.825","0.002","90","","3834.18","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H56 Al N3 P -","- C41 H56 Al N3 P -","- C164 H224 Al4 N12 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0605","0.0492","","","0.1203","0.1264","","","","","","1.027","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516872","3.7419","0.0004","8.4966","0.0009","20.448","0.002","90","","90.597","0.003","90","","650.08","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H6 N4 O4 -","- C16 H6 N4 O4 -","- C32 H12 N8 O8 -","2","1","","Glöcklhofer, Florian; Morawietz, Andreas J.; Stöger, Berthold; Unterlass, Miriam M.; Fröhlich, Johannes","Extending the Scope of a New Cyanation: Design and Synthesis of an Anthracene Derivative with an Exceptionally Low LUMO Level and Improved Solubility.","ACS omega","2017","2","4","1594","1600","10.1021/acsomega.7b00245","","x-ray","0.71073","MoKα","","0.0563","0.0464","","","0.0697","0.0725","","","","1.61","1.61","1.54","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516873","7.4784","0.0011","8.6549","0.0012","20.629","0.003","90","","94.493","0.004","90","","1331.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Br N3 O4 -","- C15 H6 Br N3 O4 -","- C60 H24 Br4 N12 O16 -","4","1","","Glöcklhofer, Florian; Morawietz, Andreas J.; Stöger, Berthold; Unterlass, Miriam M.; Fröhlich, Johannes","Extending the Scope of a New Cyanation: Design and Synthesis of an Anthracene Derivative with an Exceptionally Low LUMO Level and Improved Solubility.","ACS omega","2017","2","4","1594","1600","10.1021/acsomega.7b00245","","x-ray","0.71073","MoKα","","0.0446","0.0289","","","0.0392","0.042","","","","1.38","1.38","1.3","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516874","10.4594","0.0008","12.3954","0.001","26.28","0.002","90","","95.388","0.001","90","","3392.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 B Cl2 F2 N3 O5 -","- C38 H32 B Cl2 F2 N3 O5 -","- C152 H128 B4 Cl8 F8 N12 O20 -","4","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.1113","0.0824","","","0.2326","0.2571","","","","","","1.082","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516875","10.5005","0.0014","10.9651","0.0014","14.867","0.0019","90.158","0.002","104.416","0.001","102.641","0.002","1614.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B Cl2 F2 N3 O3 -","- C36 H28 B Cl2 F2 N3 O3 -","- C72 H56 B2 Cl4 F4 N6 O6 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.0729","0.0553","","","0.1492","0.1644","","","","","","1.064","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516876","11.441","0.012","12.524","0.013","13.818","0.014","95.751","0.013","90.47","0.012","107.762","0.011","1874","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 B F2 N3 O6 -","- C41 H36 B F2 N3 O6 -","- C82 H72 B2 F4 N6 O12 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.2106","0.1117","","","0.2655","0.3285","","","","","","1.007","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516877","10.8724","0.0012","12.3475","0.0014","13.0261","0.0015","106.184","0.001","98.292","0.001","98.518","0.001","1628.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B F2 N3 O4 -","- C39 H32 B F2 N3 O4 -","- C78 H64 B2 F4 N6 O8 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.0775","0.0595","","","0.179","0.1987","","","","","","1.037","","","","has coordinates","239605","2020-10-21","18:00:00",""
"4516878","14.079","0.0007","9.5407","0.0004","15.4359","0.0007","90","","111.764","0.001","90","","1925.61","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","","Dwivedi, Vikas; Kumar, Ravi; Sharma, Kavita; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Copper-Promoted Regioselective Intermolecular Diamination of Ynamides: Synthesis of Imidazo[1,2-<i>a</i>]pyridines.","ACS omega","2017","2","6","2770","2777","10.1021/acsomega.7b00426","","","0.71073","MoKα","","0.0726","0.0569","","","0.1429","0.1532","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516879","11.975","0.002","6.8162","0.0011","18.711","0.003","90","","98.345","0.004","90","","1511.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 F2 N6 O5 -","- C34 H30 F2 N6 O5 -","- C68 H60 F4 N12 O10 -","2","0.5","","Dwivedi, Vikas; Kumar, Ravi; Sharma, Kavita; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Copper-Promoted Regioselective Intermolecular Diamination of Ynamides: Synthesis of Imidazo[1,2-<i>a</i>]pyridines.","ACS omega","2017","2","6","2770","2777","10.1021/acsomega.7b00426","","","0.71073","MoKα","","0.0975","0.0649","","","0.1483","0.1637","","","","","","1.097","","","","has coordinates","239607","2020-10-21","18:00:00",""
"4516880","5.0999","0.0001","15.0074","0.0006","23.3654","0.0009","90","","90","","90","","1788.3","0.11","293","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O3 -","- C17 H26 N2 O3 -","- C68 H104 N8 O12 -","4","1","","de Castro, Pedro P.; Rimulo, Isabela M. R.; de Almeida, Angelina M.; Diniz, Renata; Amarante, Giovanni W.","Brønsted Acid-Catalyzed Epimerization-Free Preparation of Dual-Protected Amino Acid Derivatives.","ACS omega","2017","2","6","2967","2976","10.1021/acsomega.7b00523","","x-ray","0.71073","MoKα","","0.0852","0.0594","","","0.1638","0.1802","","","","","","1.072","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516881","11.5528","0.0003","12.6752","0.0003","20.7463","0.0004","97.0831","0.0017","96.7463","0.0018","117.036","0.003","2633.08","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H50 N6 O29 P6 Ru -","- C30 H18 N6 O29 P6 Ru -","- C60 H36 N12 O58 P12 Ru2 -","2","1","","Furugori, Sogo; Kobayashi, Atsushi; Watanabe, Ayako; Yoshida, Masaki; Kato, Masako","Impact of Photosensitizing Multilayered Structure on Ruthenium(II)-Dye-Sensitized TiO<sub>2</sub>-Nanoparticle Photocatalysts.","ACS omega","2017","2","7","3901","3912","10.1021/acsomega.7b00566","","","1.54187","CuKα","","0.0857","0.0771","","","0.2273","0.2383","","","","","","1.057","","","","has coordinates","239609","2020-10-21","18:00:00",""
"4516882","33.259","0.003","33.259","0.003","15.5227","0.0018","90","","90","","120","","14870","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C34 H34 N4 O2 -","- C34 H34 N4 O2 -","- C612 H612 N72 O36 -","18","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0729","0.0529","","","0.1308","0.1406","","","","","","1.055","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516883","22.72","0.003","8.2209","0.0009","17.0117","0.0019","90","","90","","90","","3177.4","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C176 H128 N16 O16 -","8","2","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0731","0.0439","","","0.0834","0.0936","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516884","9.266","0.0011","15.0394","0.0017","13.5414","0.0016","90","","104.785","0.003","90","","1824.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.1043","0.0591","","","0.1177","0.1356","","","","","","1.052","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516885","42.788","0.003","42.788","0.003","7.4202","0.0006","90","","90","","120","","11765","1.5","100","2","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C414 H360 N36 O72 -","18","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.089","0.0504","","","0.126","0.14","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516886","7.4731","0.0006","9.404","0.0008","14.367","0.0012","93.623","0.002","100.659","0.002","111.227","0.002","915.54","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0639","0.0443","","","0.1062","0.1161","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516887","18.3177","0.0014","11.2752","0.0009","26.814","0.002","90","","100.871","0.003","90","","5438.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C272 H256 N32 O16 -","8","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0593","0.0427","","","0.1036","0.1128","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516888","11.183","0.0003","11.7285","0.0003","16.6352","0.0004","90","","90","","90","","2181.87","0.1","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 N2 O -","- C26 H22 Cl2 N2 O -","- C104 H88 Cl8 N8 O4 -","4","1","","Zhang, Zhiguo; Gao, Xiaolong; Wan, Yameng; Huang, Yuanyuan; Huang, Guoqing; Zhang, Guisheng","Ammonium Acetate-Promoted One-Pot Tandem Aldol Condensation/Aza-Addition Reactions: Synthesis of 2,3,6,7-Tetrahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridin-4(5<i>H</i>)-ones.","ACS omega","2017","2","10","6844","6851","10.1021/acsomega.7b00626","","x-ray","1.54184","CuKα","","0.0411","0.0376","","","0.0939","0.0973","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516889","12.018","0.002","17.578","0.004","12.558","0.003","90","","103.46","0.03","90","","2580","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0611","0.0598","","","0.1535","0.1547","","","","","","1.051","","","","has coordinates,has disorder","239617","2020-10-21","18:00:00",""
"4516890","15.3958","0.0006","17.8619","0.0007","29.6863","0.0011","90","","103.301","0.004","90","","7944.7","0.5","190","2","190","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C216 H252 B24 F96 Fe12 N84 S36 -","12","6","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.71073","MoKα","","0.113","0.0822","","","0.2106","0.2469","","","","","","1.017","","","","has coordinates,has disorder","239618","2020-10-21","18:00:00",""
"4516891","12.392","0.003","17.872","0.004","12.651","0.003","90","","102.41","0.03","90","","2736.3","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0842","0.0798","","","0.2385","0.2441","","","","","","1.095","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516892","12.4742","0.0005","9.8102","0.0004","17.1419","0.0008","90","","103.499","0.002","90","","2039.78","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","2","","Angamuthu, Venkatachalam; Chang, Wen-Jung; Hou, Duen-Ren","Anti-addition of Dimethylsulfoxonium Methylide to Acyclic α,β-Unsaturated Ketones and Its Application in Formal Synthesis of an Eicosanoid.","ACS omega","2017","2","8","4088","4099","10.1021/acsomega.7b00663","","","0.71073","MoKα","","0.087","0.0704","","","0.1821","0.1971","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516893","8.095","0.002","14.812","0.004","15.641","0.004","66.874","0.012","76.588","0.014","77.346","0.014","1660.4","0.8","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H50 Br2 N6 Pd -","- C28 H50 Br2 N6 Pd -","- C56 H100 Br4 N12 Pd2 -","2","2","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.033","0.0258","","","0.0529","0.055","","","","","","0.892","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516894","7.715","0.004","7.865","0.004","14.299","0.007","101.479","0.008","95.384","0.005","90.079","0.007","846.4","0.7","273","","273","","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","1","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","","0.0553","","","","0.1204","","","","","","1.151","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516895","7.706","0.0015","7.8581","0.0016","14.256","0.003","101.44","0.03","95.42","0.03","90.11","0.03","842.1","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","1","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71073","MoKα","","0.0491","0.0373","","","0.067","0.073","","","","","","0.929","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516896","11.565","0.003","13.039","0.003","13.719","0.003","98.396","0.004","95.925","0.004","101.192","0.003","1989.1","0.8","150","2","150.15","","","","","","","","","5","P 1","P 1","1","","","","- C38 H54 Br2 N6 Pd -","- C38 H54 Br2 N6 Pd -","- C76 H108 Br4 N12 Pd2 -","2","2","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.0564","0.0369","","","0.0823","0.0994","","","","","","1.086","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4516897","18.899","0.005","11.212","0.003","27.511","0.007","90","","95.294","0.004","90","","5805","3","150","2","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 F6 N6 O4 Pd -","- C32 H50 F6 N6 O4 Pd -","- C192 H300 F36 N36 O24 Pd6 -","6","3","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.0854","0.0719","","","0.1488","0.1591","","","","","","1.057","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4516898","9.734","0.006","20.3275","0.001","11.937","0.007","90","","109.531","0.008","90","","2226","1.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H54 F6 N6 O4 Pd -","- C42 H54 F6 N6 O4 Pd -","- C84 H108 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0887","0.0763","","","0.1545","0.1766","","","","","","1.044","","","","has coordinates","276342","2022-06-28","16:10:47",""
"4516899","10.561","0.002","11.169","0.002","16.133","0.003","90","","92.303","0.003","90","","1901.4","0.6","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 F6 N6 O4 Pd -","- C32 H50 F6 N6 O4 Pd -","- C64 H100 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0443","0.0397","","","0.0793","0.0829","","","","","","1.03","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516900","9.702","0.003","20.111","0.006","11.874","0.004","90","","109.578","0.003","90","","2182.9","1.2","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H54 F6 N6 O4 Pd -","- C42 H54 F6 N6 O4 Pd -","- C84 H108 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0902","0.0571","","","0.0925","0.1186","","","","","","0.857","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516901","15.892","0.003","7.5837","0.0015","17.555","0.004","90","","90.64","0.03","90","","2115.6","0.8","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Br -","- C30 H19 Br -","- C120 H76 Br4 -","4","1","","Dhangar, Gopal; Serrano, Jose Luis; Schulzke, Carola; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Palladacycle-Catalyzed Triple Suzuki Coupling Strategy for the Synthesis of Anthracene-Based OLED Emitters.","ACS omega","2017","2","7","3144","3156","10.1021/acsomega.7b00725","","","0.71073","MoKα","","0.0707","0.042","","","0.1026","0.1173","","","","","","0.961","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516902","10.37","0.002","16.668","0.004","13.0761","0.0018","90","","124.978","0.01","90","","1851.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Zhu, Jing; Yuan, Yi; Wang, Shaozhong; Yao, Zhu-Jun","Synthesis of 2,3-Dialkylated Tartaric Acid Esters via Visible Light Photoredox-Catalyzed Reductive Dimerization of α-Ketoesters.","ACS omega","2017","2","8","4665","4677","10.1021/acsomega.7b00749","","","0.71073","MoKα","","0.1227","0.0678","","","0.1821","0.212","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516903","39.0066","0.0013","22.1515","0.0006","21.675","0.0006","90","","107.667","0.0012","90","","17845.1","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23.15 N O4.07 -","- C27 H23.1495 N O4.07475 -","- C864 H740.784 N32 O130.392 -","32","4","","Saito, Koya; Yoshida, Masahito; Uekusa, Hidehiro; Doi, Takayuki","Facile Synthesis of Pyrrolyl 4-Quinolinone Alkaloid Quinolactacide by 9-AJ-Catalyzed Tandem Acyl Transfer-Cyclization of <i>o</i>-Alkynoylaniline Derivatives.","ACS omega","2017","2","8","4370","4381","10.1021/acsomega.7b00793","","","0.71073","MoKα","","0.1405","0.0655","","","0.1527","0.2233","","","","","","0.994","","","","has coordinates","239625","2020-10-21","18:00:00",""
"4516904","8.1717","0.0014","8.2522","0.0014","10.8564","0.0018","79.563","0.002","89.113","0.002","83.6","0.002","715.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C28 H22 Cl2 N4 O12 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0594","0.0468","","","0.1341","0.1446","","","","","","0.922","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516905","10.856","0.003","11.154","0.003","14.213","0.003","106.325","0.003","104.731","0.003","106.209","0.003","1479","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N2 O6.5 -","- C14 H12 Cl N2 O6.5 -","- C56 H48 Cl4 N8 O26 -","4","2","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.053","0.0438","","","0.151","0.1567","","","","","","1.149","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516906","7.2428","0.0003","13.052","0.0006","29.5375","0.0013","90","","90","","90","","2792.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C112 H88 Cl8 N16 O48 -","8","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0516","0.0449","","","0.1616","0.167","","","","","","1.354","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516907","7.0003","0.0011","8.2219","0.0019","10.5516","0.0017","85.243","0.003","78.471","0.002","79.703","0.002","584.77","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl N3 O4 S -","- C10 H8 Cl N3 O4 S -","- C20 H16 Cl2 N6 O8 S2 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0294","0.0265","","","0.0659","0.067","","","","","","1.263","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516908","11.7902","0.0005","11.311","0.0005","12.3892","0.0006","90","","109.79","0.001","90","","1554.63","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl N4 O4 -","- C14 H11 Cl N4 O4 -","- C56 H44 Cl4 N16 O16 -","4","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0661","0.0495","","","0.136","0.1422","","","","","","1.525","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516909","6.795","0.0005","7.4766","0.0005","13.7306","0.0009","77.211","0.004","88.2","0.004","69.323","0.004","635.6","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl N4 O4 -","- C11 H9 Cl N4 O4 -","- C22 H18 Cl2 N8 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0771","0.0726","","","0.2368","0.2463","","","","","","1.447","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516910","5.7224","0.0004","10.5903","0.0007","11.2992","0.0007","95.938","0.001","103.751","0.001","94.742","0.001","657.47","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C24 H20 Cl2 N6 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0384","0.0319","","","0.0878","0.0955","","","","","","0.625","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516911","5.9445","0.0003","10.739","0.0005","10.9139","0.0005","98.91","0.002","95.465","0.002","105.836","0.002","655.22","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C24 H20 Cl2 N6 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0363","0.0326","","","0.1155","0.1208","","","","","","0.951","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516912","8.281","0.003","27.212","0.008","5.4812","0.0016","90","","90","","90","","1235.1","0.7","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 Br N2 -","- C15 H11 Br N2 -","- C60 H44 Br4 N8 -","4","1","","Reddy, N. Naresh Kumar; Nageswara Rao, Sadu; Ravi, Chitrakar; Adimurthy, Subbarayappa","Catalyst-Free Synthesis of 2,4-Disubstituted-1<i>H</i>-imidazoles through [3 + 2] Cyclization of Vinyl Azides with Amidines.","ACS omega","2017","2","8","5235","5241","10.1021/acsomega.7b00969","","","0.71073","MoKα","","0.0876","0.0576","","","0.1238","0.1334","","","","","","0.969","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516913","25.456","0.0003","5.6041","0.0001","16.3636","0.0002","90","","97.0043","0.0004","90","","2316.98","0.06","100","","100","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N4 O8 S2 -","- C24 H20 N4 O8 S2 -","- C96 H80 N16 O32 S8 -","4","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","","1.54178","CuKα","","0.0324","0.0318","","","0.086","0.0866","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516914","16.095","0.004","21.593","0.005","8.257","0.002","90","","101.741","0.011","90","","2809.6","1.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(phenylmethyl) 2,8-Dinitro-1,5-naphthalenediylcarbamate THF solvate","","- C30 H28 N4 O9 -","- C30 H28 N4 O9 -","- C120 H112 N16 O36 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","x-ray","1.34139","GaKα","","0.1921","0.0978","","","0.2271","0.2893","","","","","","1.013","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516915","9.2281","0.0003","10.7423","0.0004","15.1969","0.0005","81.895","0.002","84.293","0.002","76.469","0.002","1446.58","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N4 O9 S2 -","- C28 H28 N4 O9 S2 -","- C56 H56 N8 O18 S4 -","2","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","x-ray","1.34139","GaKα","","0.0416","0.0355","","","0.0896","0.0935","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516916","21.374","0.002","5.9585","0.0005","10.0311","0.0008","90","","92.402","0.004","90","","1276.41","0.19","150","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 O8 -","- C26 H20 N4 O8 -","- C52 H40 N8 O16 -","2","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","","1.54178","CuKα","","0.1263","0.1112","","","0.3257","0.3528","","","","","","1.537","","","","has coordinates,has disorder","239631","2020-10-21","18:00:00",""
"4516917","19.6145","0.0005","15.4076","0.0004","16.3628","0.0004","90","","90","","90","","4945","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))zinc(ii) diperchlorate acetonitrile solvate","","- C36 H50 Cl2 N10 O8 S4 Zn3 -","- C36 H50 Cl2 N10 O8 S4 Zn3 -","- C144 H200 Cl8 N40 O32 S16 Zn12 -","4","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0191","0.0189","","","0.049","0.0491","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516918","17.0064","0.0003","17.0064","0.0003","15.328","0.0003","90","","90","","90","","4433.13","0.14","100","2","100","2","","","","","","","","8","I -4","I -4","82","","(meso-Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate bishydrate","","- C32 H48 Cl2 Hg N8 O10 S4 Zn2 -","- C32 H48 Cl2 Hg N8 O10 S4 Zn2 -","- C128 H192 Cl8 Hg4 N32 O40 S16 Zn8 -","4","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0578","0.0562","","","0.1381","0.1394","","","","","","1.133","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516919","34.6454","0.0015","14.5668","0.0007","22.3937","0.001","90","","102.175","0.001","90","","11047.3","0.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(racemic-ΔΔ,ΛΛ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C43.25 H59 Cl2 Hg N11 O8 S4 Zn2 -","- C43.25 H59 Cl2 Hg N11 O8 S4 Zn2 -","- C346 H472 Cl16 Hg8 N88 O64 S32 Zn16 -","8","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","0.71073","MoKα","","0.0366","0.0285","","","0.0658","0.0697","","","","","","1.039","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516920","9.59","0.0002","17.3124","0.0004","18.5657","0.0005","109.74","0.001","101.536","0.001","101.986","0.001","2713.11","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(racemic-ΔΔ,ΛΛ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C44.5 H59 Cl2 Hg N9 O8 S4 Zn2 -","- C44.5 H59 Cl2 Hg N9 O8 S4 Zn2 -","- C89 H118 Cl4 Hg2 N18 O16 S8 Zn4 -","2","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0474","0.044","","","0.1444","0.1499","","","","","","1.092","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516921","10.2995","0.0003","14.7078","0.0004","16.5684","0.0004","87.079","0.001","87.966","0.002","75.654","0.001","2427.73","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","1","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0436","0.0403","","","0.103","0.1065","","","","","","1.077","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516922","10.6004","0.0009","15.5825","0.0012","14.5579","0.0012","90","","91.269","0.001","90","","2404.1","0.3","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate toluene solvate","","- C39 H52 Cl2 Hg N8 O8 S4 Zn2 -","- C39 H52 Cl2 Hg N8 O8 S4 Zn2 -","- C78 H104 Cl4 Hg2 N16 O16 S8 Zn4 -","2","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","0.71073","MoKα","","0.0427","0.0402","","","0.1304","0.1327","","","","","","1.133","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516923","14.309","0.0009","5.7406","0.0006","19.1631","0.0009","90","","98.798","0.006","90","","1555.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N2 O6 -","- C17 H12 N2 O6 -","- C68 H48 N8 O24 -","4","1","","Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam","Aerobic Metal-Free Dioxygenation of Alkenes with <i>tert</i>-Butyl Nitrite and <i>N</i>-Hydroxylamines.","ACS omega","2017","2","9","6278","6290","10.1021/acsomega.7b01111","","","0.71073","MoKα","","0.0818","0.0566","","","0.095","0.1076","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516924","27.389","0.002","27.389","0.002","9.7549","0.0007","90","","90","","120","","6337.3","0.8","100","2","100","2","","","","","","","","5","P 3","P 3","143","","","","- C80 H120 N18 O16 S -","- C79.998 H119.995 N18 O16 S -","- C239.994 H359.985 N54 O48 S3 -","3","1","","Portis, Bobby; Mirchi, Ali; Emami Khansari, Maryam; Pramanik, Avijit; Johnson, Corey R.; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir","An Ideal <i>C</i><sub>3</sub>-Symmetric Sulfate Complex: Molecular Recognition of Oxoanions by <i>m</i>-Nitrophenyl- and Pentafluorophenyl-Functionalized Hexaurea Receptors.","ACS omega","2017","2","9","5840","5849","10.1021/acsomega.7b01115","","","0.71073","MoKα","","0.1024","0.071","","","0.1798","0.2007","","","","","","1.007","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"4516925","7.7434","0.0003","12.1722","0.0005","20.2617","0.0007","95.227","0.003","93.915","0.002","98.882","0.002","1872.41","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C72 H80 N16 O24 -","4","2","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1107","0.0532","","","0.0966","0.1357","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516926","8.8491","0.0007","10.9303","0.0015","10.9736","0.001","105.249","0.01","93.074","0.007","103.966","0.009","985.96","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O6 -","- C19 H22 N4 O6 -","- C38 H44 N8 O12 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1879","0.0839","","","0.1332","0.173","","","","","","1.078","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516927","8.2476","0.0016","9.157","0.0017","13.002","0.003","80.729","0.015","80.544","0.014","80.501","0.014","946.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O6 S -","- C17 H19 N3 O6 S -","- C34 H38 N6 O12 S2 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.128","0.079","","","0.1689","0.1945","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516928","8.9102","0.0006","9.9426","0.0007","11.7194","0.0008","91.392","0.004","104.2","0.004","106.984","0.004","957.44","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O5 S2 -","- C17 H19 N3 O5 S2 -","- C34 H38 N6 O10 S4 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.0941","0.0479","","","0.1255","0.1478","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516929","13.6859","0.0006","17.7916","0.0007","30.7988","0.0014","93.988","0.004","96.865","0.004","109.357","0.004","6976.8","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H98 F6 N8 O10 Si -","- C62 H98 F6 N8 O10 Si -","- C248 H392 F24 N32 O40 Si4 -","4","2","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1709","0.0935","","","0.1533","0.1862","","","","","","1.058","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516930","9.2162","0.0018","11.9031","0.0018","12.665","0.002","90","","95.002","0.015","90","","1384.1","0.4","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Br N O2 -","- C14 H16 Br N O2 -","- C56 H64 Br4 N4 O8 -","4","1","","Zhang, Jie-Huan; Wang, Ru-Bing; Li, De-Feng; Zhao, Li-Ming","Green Method To Preparing Oxindole-Fused Spirotetrahydrofuran Scaffolds through Methanesulfonic Acid-Catalyzed Cyclization Reactions of 3-Allyl-3-hydroxy-2-oxindole in Water.","ACS omega","2017","2","10","7022","7028","10.1021/acsomega.7b01279","","x-ray","0.71073","MoKα","","0.1689","0.0914","","","0.2174","0.2791","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516931","11.5855","0.0009","13.7576","0.0014","11.9138","0.0009","90","","111.058","0.002","90","","1772.1","0.3","173","2","173","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C30 H44 Cu2 I2 P2 Pt S2 -","- C30 H44 Cu2 I2 P2 Pt S2 -","- C60 H88 Cu4 I4 P4 Pt2 S4 -","2","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0266","0.0233","","","0.0568","0.0581","","","","","","1.144","","","","has coordinates","239637","2020-10-21","18:00:00",""
"4516932","9.1837","0.0017","9.7176","0.0018","10.067","0.002","101.961","0.005","97.001","0.005","90.11","0.004","872","0.3","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","1","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","","0.71073","MoKα","","0.0408","0.0351","","","0.0804","0.0853","","","","","","1.093","","","","has coordinates","239638","2020-10-21","18:00:00",""
"4516933","9.1683","0.0016","9.6345","0.0017","10.0679","0.0018","101.983","0.003","96.491","0.003","90.18","0.003","864","0.3","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","1","0.5","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0186","0.0172","","","0.0405","0.0412","","","","","","1.038","","","","has coordinates","239639","2020-10-21","18:00:00",""
"4516934","8.724","0.004","9.467","0.005","11.201","0.005","98.149","0.015","102.16","0.009","116.678","0.011","777.9","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H44 P2 Pt S2 -","- C30 H44 P2 Pt S2 -","- C30 H44 P2 Pt S2 -","1","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","","0.71073","MoKα","","0.0149","0.0149","","","0.0381","0.0381","","","","","","1.169","","","","has coordinates","239640","2020-10-21","18:00:00",""
"4516935","9.11","0.002","9.191","0.002","12.721","0.003","69.754","0.005","85.301","0.005","63.395","0.004","890.1","0.3","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C30 H44 Cl2 Cu2 P2 Pt S2 -","- C30 H44 Cl2 Cu2 P2 Pt S2 -","- C30 H44 Cl2 Cu2 P2 Pt S2 -","1","0.5","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0351","0.0303","","","0.0754","0.0773","","","","","","1.077","","","","has coordinates","239641","2020-10-21","18:00:00",""
"4516936","10.3208","0.0016","10.5678","0.0017","11.2817","0.0018","77.262","0.003","65.786","0.003","63.262","0.003","1001.2","0.3","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C14 H19 Cu2 I2 N P Pt0.5 S -","- C14 H19 Cu2 I2 N P Pt0.5 S -","- C28 H38 Cu4 I4 N2 P2 Pt S2 -","2","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0273","0.0223","","","0.0512","0.0537","","","","","","1.16","","","","has coordinates","239642","2020-10-21","18:00:00",""
"4516937","11.995","0.006","12.221","0.008","12.496","0.008","71.77","0.02","84.647","0.014","62.2","0.05","1536","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cl2 N2 O4 -","- C38 H28 Cl2 N2 O4 -","- C76 H56 Cl4 N4 O8 -","2","1","","Shi, Rong-Guo; Sun, Jing; Yan, Chao-Guo","Tandem Double [3 + 2] Cycloaddition Reactions at Both C-1 and C-3 Atoms of <i>N</i>-Cyanomethylisoquinolinium Ylide.","ACS omega","2017","2","11","7820","7830","10.1021/acsomega.7b01391","","","0.71073","MoKα","","0.2434","0.0677","","","0.1185","0.1391","","","","","","0.957","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516938","11.8189","0.0015","12.2358","0.0015","12.625","0.0016","103.752","0.004","94.826","0.004","118.541","0.004","1515.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Cl N3 O4 -","- C38 H26 Cl N3 O4 -","- C76 H52 Cl2 N6 O8 -","2","1","","Shi, Rong-Guo; Sun, Jing; Yan, Chao-Guo","Tandem Double [3 + 2] Cycloaddition Reactions at Both C-1 and C-3 Atoms of <i>N</i>-Cyanomethylisoquinolinium Ylide.","ACS omega","2017","2","11","7820","7830","10.1021/acsomega.7b01391","","","0.71073","MoKα","","0.0859","0.0496","","","0.1363","0.1498","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516939","10.4573","0.0002","11.9728","0.0003","12.8415","0.0003","90","","93.954","0.001","90","","1603.97","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 S -","- C20 H17 N3 S -","- C80 H68 N12 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0379","0.0311","","","0.0879","0.0932","","","","","","1.084","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516940","7.7827","0.001","11.3884","0.0011","16.0505","0.0019","93.532","0.009","94.791","0.01","91.122","0.009","1414.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 S -","- C16 H15 N3 S -","- C64 H60 N12 S4 -","4","2","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.1496","0.0609","","","0.0994","0.1275","","","","","","0.916","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516941","14.5736","0.0003","14.5736","0.0003","22.951","0.0013","90","","90","","90","","4874.6","0.3","293","","293","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C224 H224 N64 -","16","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","","0.71073","MoKα","","0.1171","0.0521","","","0.1077","0.1275","","","","","","0.95","","","","has coordinates,has disorder","239644","2020-10-21","18:00:00",""
"4516942","7.9733","0.0002","7.9374","0.0002","25.4882","0.0005","90","","97.386","0.002","90","","1599.69","0.07","193","2","192.9","0.4","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0432","0.0377","","","0.0932","0.0981","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516943","9.5762","0.0006","9.9473","0.0006","10.8647","0.0007","111.404","0.002","112.175","0.002","99.826","0.002","833.26","0.09","180","2","180","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C44 H38 N6 -","2","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0815","0.0525","","","0.1289","0.1451","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516944","7.6433","0.0006","20.2686","0.0014","8.686","0.0006","90","","112.654","0.002","90","","1241.81","0.16","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C60 H56 N16 O4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0573","0.0452","","","0.1216","0.1316","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516945","8.7789","0.0002","11.5391","0.0003","15.1241","0.0004","90","","90","","90","","1532.08","0.07","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N5 S -","- C15 H19 N5 S -","- C60 H76 N20 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0371","0.0322","","","0.082","0.0856","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516946","9.6381","0.0004","12.9175","0.0005","12.0791","0.0004","90","","110.705","0.001","90","","1406.72","0.09","193","2","193","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N5 S -","- C14 H17 N5 S -","- C56 H68 N20 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","","0.71073","MoKα","","0.0391","0.0336","","","0.0962","0.1","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516947","10.449","0.0005","19.1742","0.0007","10.5635","0.0005","90","","110.663","0.005","90","","1980.27","0.17","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 N6 O2 -","- C19 H28 N6 O2 -","- C76 H112 N24 O8 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0666","0.0561","","","0.1531","0.1618","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516948","18.9579","0.0011","15.4754","0.0009","20.0404","0.0012","90","","100.36","0.002","90","","5783.6","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cl2 N4 O5 S -","- C28 H28 Cl2 N4 O5 S -","- C224 H224 Cl16 N32 O40 S8 -","8","1","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.0772","0.0583","","","0.1475","0.1602","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516949","14.3064","0.0009","15.1345","0.0009","27.9096","0.0017","96.495","0.002","92.025","0.002","110.64","0.002","5600.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl2 N4 O4.25 P -","- C27 H25 Cl2 N4 O4.25 P -","- C216 H200 Cl16 N32 O34 P8 -","8","4","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.1775","0.0961","","","0.1638","0.1911","","","","","","1.113","","","","has coordinates","239646","2020-10-21","18:00:00",""
"4516950","14.7409","0.0006","15.8211","0.0006","16.2514","0.0007","71.928","0.001","63.041","0.001","70.747","0.002","3130.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl2 N4 O7 -","- C33 H30 Cl2 N4 O7 -","- C132 H120 Cl8 N16 O28 -","4","2","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.1442","0.0629","","","0.1157","0.1413","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516954","13.091","0.0005","12.8548","0.0007","8.1538","0.0005","90","","94.208","0.004","90","","1368.44","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N O4 -","- C12 H16 Cl N O4 -","- C48 H64 Cl4 N4 O16 -","4","1","","Zhang, Zhiguo; Gao, Xiaolong; Yu, Haifeng; Bi, Jingjing; Zhang, Guisheng","Tandem Oxidative α-Hydroxylation/β-Acetalization Reaction of β-Ketoamides and Its Applications.","ACS omega","2017","2","11","7746","7754","10.1021/acsomega.7b01526","","x-ray","1.54184","CuKα","","0.0606","0.0509","","","0.1413","0.1532","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516955","8.0644","0.0009","9.4449","0.0011","10.2338","0.0012","107.774","0.001","104.803","0.002","106.592","0.002","659.32","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides.","ACS omega","2017","2","11","8507","8516","10.1021/acsomega.7b01637","","","0.71073","MoKα","","0.0643","0.0439","","","0.1008","0.1108","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516956","5.3885","0.0005","14.607","0.0014","21","0.002","90","","90","","90","","1652.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides.","ACS omega","2017","2","11","8507","8516","10.1021/acsomega.7b01637","","","0.71073","MoKα","","0.0653","0.0587","","","0.1604","0.1683","","","","","","0.776","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4517137","11.8959","0.0002","9.1565","0.0002","17.3296","0.0003","90","","97.688","0.001","90","","1870.66","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 B N3 -","- C23 H20 B N3 -","- C92 H80 B4 N12 -","4","1","","Shipman, Patrick O.; Cui, Chengzhong; Lupinska, Patrycja; Lalancette, Roger A.; Sheridan, John B.; Jäkle, Frieder","Nitroxide-Mediated Controlled Free Radical Polymerization of the Chelate Monomer 4-Styryl-tris(2-pyridyl)borate (StTpyb) and Supramolecular Assembly via Metal Complexation","ACS Macro Letters","2013","2","12","1056","","10.1021/mz400462h","","","1.54178","CuKα","","0.038","0.035","","","0.09","0.093","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517406","33.014","0.004","33.014","0.004","22.911","0.003","90","","90","","90","","24971","5","195","","195","","","","0","","","","synthetic","4","P 4/m m m","-P 4 2","123","desolvated pcn12","desolvated pcn12","none","- C17 H8 Cu2 O8 -","- C17 H8 Cu2 O8 -","- C408 H192 Cu48 O192 -","24","1.5","","Elsaidi, Sameh K.; Ongari, Daniele; Mohamed, Mona H.; Xu, Wenqian; Motkuri, Radha Kishan; Haranczyk, Maciej; Thallapally, Praveen K.","Metal Organic Frameworks for Xenon Storage Applications","ACS Materials Letters","2020","2","3","233","238","10.1021/acsmaterialslett.9b00468","powder diffraction","x-ray","0.45336","Synchrotronmono-beam","","","","","","","","0.0528","","6.33","","","","","","","has coordinates","257089","2020-10-21","18:00:00",""
"4517652","11.0421","0.0002","24.1416","0.0004","24.0743","0.0004","90","","90.606","0.001","90","","6417.22","0.19","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Cl5 N2 P4 Sb -","- C72 H60 Cl5 N2 P4 Sb -","- C288 H240 Cl20 N8 P16 Sb4 -","4","1","","He, Qingquan; Zhou, Chenkun; Xu, Liangjin; Lee, Sujin; Lin, Xinsong; Neu, Jennifer; Worku, Michael; Chaaban, Maya; Ma, Biwu","Highly Stable Organic Antimony Halide Crystals for X-ray Scintillation","ACS Materials Letters","2020","2","6","633","638","10.1021/acsmaterialslett.0c00133","","x-ray","0.71073","MoKα","","0.047","0.0346","","","0.084","0.0881","","","","","","1.086","","","","has coordinates","257088","2020-10-21","18:00:00",""
"4517856","12.9952","0.0018","12.9952","0.0018","10.177","0.002","90","","90","","120","","1488.4","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C1.77 H3.53 N0.22 Na0.45 O8.34 Si4 -","- C1.768 H3.536 N0.221 Na0.446 O8.344 Si4 -","- C10.608 H21.216 N1.326 Na2.676 O50.064 Si24 -","6","1","","Lee, Hwajun; Choi, Wanuk; Choi, Hyun June; Hong, Suk Bong","PST-33: A Four-Layer ABC-6 Zeolite with the Stacking Sequence AABC","ACS Materials Letters","2020","2","8","981","985","10.1021/acsmaterialslett.0c00232","","","0.7","","","0.1202","0.1026","","","0.2975","0.3185","","","","","","1.074","","","","has coordinates,has disorder","257087","2020-10-21","18:00:00",""
"5000030","15.966","0.006","13.609","0.006","7.952","0.004","90","","90","","90","","1727.82","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","testosterone","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Precigoux, G.; Hospital, M.; van den Bosche, G.","","Crystal Structure Communications","1973","2","","435","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","175323","2020-10-21","18:00:00",""
"5000132","38.767","0.008","5.146","0.001","13.023","0.002","90","","103.59","0.04","90","","2525.28","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 Cl N O3 -","- C11 H18 Cl N O3 -","- C88 H144 Cl8 N8 O24 -","8","1","","Tsoucaris, D.; de Rango, C.; Tsoucaris, G.; Zelwer, C.; Parthasarathy, R.; Cole, F. E.","","Crystal Structure Communications","1973","2","","193","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000219","3.7597","0.0001","3.7597","0.0001","10.4412","0.0002","90","","90","","120","","127.8","","","","4.2","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Arsenic","Arsenic","Arsenic","- As -","- As -","- As6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","296111","2024-11-26","13:14:48",""
"5000259","11.766","0.001","31.797","0.002","11.233","0.001","90","","90","","90","","4202.53","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H62 O8 -","- C44 H62 O8 -","- C176 H248 O32 -","4","1","","Kobayashi, Jun'ichi; Shimbo, Kazutaka; Sato, Masaaki; Shiro, Motoo; Tsuda, Masashi","Absolute Stereochemistry of Amphidinolides G and H","Organic Letters","2000","2","18","2805","2807","10.1021/ol006223b","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""
"5900003","5.47","","7.64","","8.54","","90","","90","","90","","356.89","","","","","","","","","","","","","4","P b n m","","62","","Thiourea","","- C H4 N2 S -","- C H4 N2 S -","- C4 H16 N8 S4 -","4","0.5","","","","Strukturbericht","","2","","805","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900021","9.85","","9.85","","9.85","","90","","90","","90","","955.67","","","","","","","","","","","","","4","P 2 3","","195","","Tetramethyl silicate","","- C4 H12 O4 Si -","- C4 H12 O4 Si -","- C16 H48 O16 Si4 -","4","0.333333","","","","Strukturbericht","","2","","803","","","","","","","","","","","","","","","","","","","","","","","has coordinates","296823","2024-12-10","16:38:25",""
"5900029","4.6","","14.19","","15.68","","90","","90.8","","90","","1023.4","","","","","","","","","","","","","4","P 1 21/c 1","","14","","Hexamethylendiamonium dichlorid","","- C6 H18 Cl2 N2 -","- C6 Cl2 N2 -","- C24 Cl8 N8 -","4","1","","Binnie, W. P.; Robertson, J. M.","The crystal structure of hexamethylenediamine dihydrochloride","Acta Crystallographica","1949","2","3","180","188","10.1107/S0365110X49000473","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900030","4.68","","14.53","","16.21","","90","","91","","90","","1102.12","","","","","","","","","","","","","4","P 1 21/c 1","","14","","Hexamethylendiamonium dihydrogen bromide","","- C6 H18 Br2 N2 -","- C6 Br2 N2 -","- C24 Br8 N8 -","4","1","","Binnie, W. P.; Robertson, J. M.","The crystal structure of hexamethylenediamine and its dihalides. Hexamethylenediamine dihydrobromide","Acta Crystallographica","1949","2","2","116","120","10.1107/S0365110X49000266","","","","","","","","","","","","","","","","","","","","","has coordinates","285099","2023-07-08","12:50:07",""
"6000051","5.7506","0.0003","5.7506","0.0003","61.413","0.002","90","","90","","120","","1758.8","0.2","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba11 Fe8 O41 Ti9 -","- Ba11 Fe6 O41 Ti11 -","- Ba22 Fe12 O82 Ti22 -","2","0.0833333","","Siegrist, Theo; Svensson, Christer; Vanderah, Terreil A.; Roth, Robert S.","Structural study of Ba11Fe8Ti9O41 by X-ray diffraction","Solid State Sciences","2000","2","","539","544","10.1016/S1293-2558(00)01073-6","","x-ray","0.71073","MoKα","","","0.0449","","","0.0584","","","","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000052","5.711","0.0004","14.699","0.001","8.823","0.0004","90","","90","","90","","740.66","0.08","","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- O9 Re2 V -","- O9 Re2 V -","- O36 Re8 V4 -","4","0.5","","Bastide, Beatrice; Enjalbert, Renee; Fuess, Hartmut; Galy, Jean","VO(ReO4)(2): solid state and structural chemistry","Solid State Sciences","2000","2","","545","552","10.1016/S1293-2558(00)01058-X","","x-ray","0.71069","MoKα","","","0.038","","","0.093","","","","","","","1.029","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000061","17.0694","0.0009","33.324","0.002","9.9536","0.0005","90","","90","","90","","5661.8","0.5","","","296","","","","","","","","","6","F m m 2","F 2 -2","42","","","","- Al6 N54 O7 Si30 Sm6 Sr10 -","- Al6 N54 O7 Si30 Sm6 Sr10 -","- Al24 N216 O28 Si120 Sm24 Sr40 -","4","0.25","","Lauterbach, Rainer; Schnick, Wolfgang","High-temperature synthesis and single-crystal X-ray structure determination of Sr10Sm6Si30Al6O7N54 - a layered sialon with an ordered distribution of Si, Al, O, and N","Solid State Sciences","2000","2","","463","472","10.1016/S1293-2558(00)00147-3","","x-ray","0.71073","MoKα","","","0.0706","","","0.1273","","","","","","","1.119","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000072","6.956","","7.711","","8.57","","106.64","","106.63","","82.47","","421.4","","","","","","","","","","","","","5","P -1","","","","","","- H K O10 P3 Sm -","","","","","","Zouari, N.; Mhiri, T.; Daoud, A.; Gravereau, P.; Lebraud, E.","Crystal structure and Rietveld refinement using X-ray powder diffraction data of two potassium and ammonium-samarium condensed phosphates: KSmHP3O10 and NH4SmHP3O10","International Journal of Inorganic Materials","2000","2","","379","387","10.1016/S1466-6049(00)00036-2","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000073","6.9782","","7.7578","","8.623","","106.354","","105.961","","82.471","","429.93","","","","","","","","","","","","","0","P -1","","","","","","?","","","","","","Zouari, N.; Mhiri, T.; Daoud, A.; Gravereau, P.; Lebraud, E.","Crystal structure and Rietveld refinement using X-ray powder diffraction data of two potassium and ammonium-samarium condensed phosphates: KSmHP3O10 and NH4SmHP3O10","International Journal Of Inorganic Materials","2000","2","","379","387","10.1016/S1466-6049(00)00036-2","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000109","11.9022","0.0001","5.553","0.0001","7.3401","0.0001","90","","90.091","0.001","90","","485.13","","","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- Ba2 Cd H O11 P3 -","- Ba2 Cd O11 P3 -","- Ba4 Cd2 O22 P6 -","2","0.5","","Ben Taher, L.; Smiri, L.; Laligant, Y.; Le Bail, A.","Investigation of mixed divalent cation phosphates: synthesis and X-ray powder structure determination of CdBa2(P2O7)(HPO4)","Solid State Sciences","2000","2","","285","292","10.1016/S1293-2558(00)00126-6","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.037","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000135","8.067","","7.5889","","7.3997","","90","","116.281","","90","","406.18","","","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C2 H8 Cu2 O8 P2 -","","","","","","Riou, D.; Belier, F.; Serre, C.; Nogues, M.; Vichard, D.; Ferey, G.","Hybrid open-frameworks: hydrothermal synthesis, structure determinations and magnetic properties of MIL-29, two copper diphosphonates (Cu-II(H2O))(2){O3P-X-PO3} with X=C2H4, CH2-C6H4-CH2","International Journal of Inorganic Materials","2000","2","","29","33","10.1016/S1466-6049(99)00066-5","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000136","10.812","","7.577","","7.412","","90","","92.34","","90","","606.7","","","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C8 H12 Cu2 O8 P2 -","","","","","","Riou, D.; Belier, F.; Serre, C.; Nogues, M.; Vichard, D.; Ferey, G.","Hybrid open-frameworks: hydrothermal synthesis, structure determinations and magnetic properties of MIL-29, two copper diphosphonates (Cu-II(H2O))(2){O3P-X-PO3} with X=C2H4, CH2-C6H4-CH2","International Journal of Inorganic Materials","2000","2","","29","33","10.1016/S1466-6049(99)00066-5","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000137","7.7791","","7.7791","","7.7791","","90","","90","","90","","470.75","","","","","","","","","","","","","4","Fm3m","","","","","","- Al Nb O6 Sr2 -","","","","","","Chan, J. Y.; Levin, I.; Vanderah, T. A.; Geyer, R. G.; Roth, R. S.","Subsolidus phase relations and dielectric properties in the SrO-Al2O3-Nb2O5 system","International Journal of Inorganic Materials","2000","2","","107","114","10.1016/S1466-6049(00)00014-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000138","7.1728","","5.8024","","19.733","","90","","97.332","","90","","814.56","","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- Al Nb O8 Sr4 -","","","","","","Chan, J. Y.; Levin, I.; Vanderah, T. A.; Geyer, R. G.; Roth, R. S.","Subsolidus phase relations and dielectric properties in the SrO-Al2O3-Nb2O5 system","International Journal of Inorganic Materials","2000","2","","107","114","10.1016/S1466-6049(00)00014-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000139","12.374","","12.374","","3.8785","","90","","90","","90","","593.86","","","","","","","","","","","","","4","P 4 b m","","","","","","- Al0.7 Nb9.3 O30 Sr5.7 -","","","","","","Chan, J. Y.; Levin, I.; Vanderah, T. A.; Geyer, R. G.; Roth, R. S.","Subsolidus phase relations and dielectric properties in the SrO-Al2O3-Nb2O5 system","International Journal of Inorganic Materials","2000","2","","107","114","10.1016/S1466-6049(00)00014-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000140","16.2271","","9.5805","","18.9208","","90","","125.399","","90","","2397.75","","","","50","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Mo3 O12 Sc2 -","- Mo3 O12 Sc2 -","- Mo24 O96 Sc16 -","8","2","","Evans, J. S. O.; Mary, T. A.","Structural phase transitions and negative thermal expansion in Sc2(MoO4)(3)","International Journal of Inorganic Materials","2000","2","","143","151","10.1016/S1466-6049(00)00012-X","","","","","","","","","","","","","","","","","","","","","has coordinates","208441","2020-10-21","18:00:00",""
"6000182","7.7912","","7.231","","9.3114","","90","","106.873","","90","","502","","","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C H3.28 F0.72 Ga O3.28 P -","","","","","","Paulet, C.; Serre, C.; Loiseau, T.; Riou, D.; Ferey, G.","Hybrid open-frameworks (MIL-n): Syntheses and structures of 2-dimensional gallium methylphosphonates (MIL-23) and 3-dimensional copper vanadium methyldiphosphonate (MIL-24)","Comptes Rendus de l'Academie des Sciences, Serie IIc: Chimie","1999","2","","631","636","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000183","7.2514","","7.2514","","7.3413","","90","","90","","120","","334.31","","","","","","","","","","","","","7","P -3","","","","","","- C3 H16 F3 Ga3 N2 O9 P2 -","","","","","","Paulet, C.; Serre, C.; Loiseau, T.; Riou, D.; Ferey, G.","Hybrid open-frameworks (MIL-n): Syntheses and structures of 2-dimensional gallium methylphosphonates (MIL-23) and 3-dimensional copper vanadium methyldiphosphonate (MIL-24)","Comptes Rendus de l'Academie des Sciences, Serie IIc: Chimie","1999","2","","631","636","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000184","6.3884","","10.7284","","11.2762","","90","","90","","90","","772.84","","","","","","","","","","","","","6","P 21 21 21","","","","","","- C H6 Cu O9 P2 V -","","","","","","Paulet, C.; Serre, C.; Loiseau, T.; Riou, D.; Ferey, G.","Hybrid open-frameworks (MIL-n): Syntheses and structures of 2-dimensional gallium methylphosphonates (MIL-23) and 3-dimensional copper vanadium methyldiphosphonate (MIL-24)","Comptes Rendus de l'Academie des Sciences, Serie IIc: Chimie","1999","2","","631","636","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000309","9.2272","","7.3532","","9.8496","","90","","101.315","","90","","655.3","","","","","","","","","","","","","7","P 1 21/c 1","","","","","","- C2 H9 F N2 O4 P V -","","","","","","Riou-Cavellec, M.; Serre, C.; Férey, G.","Hydrothermal synthesis and structure determination of [VF(PO~4~),N~2~C~2~H~9~] and [Ti(OH)(PO~4~),N~2~C~2~H~9~], two M(III) phosphates with the ULM-11 bidimensional topology","Comptes Rendus de l'Academie des Sciences, Serie IIc: Chimie","1999","2","3","147","152","10.1016/S1387-1609(99)80057-7","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000310","9.265","","7.329","","9.911","","90","","100.89","","90","","660.87","","","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C2 H10 N2 O5 P Ti -","","","","","","Riou-Cavellec, M.; Serre, C.; Férey, G.","Hydrothermal synthesis and structure determination of [VF(PO~4~),N~2~C~2~H~9~] and [Ti(OH)(PO~4~),N~2~C~2~H~9~], two M(III) phosphates with the ULM-11 bidimensional topology","Comptes Rendus de l'Academie des Sciences, Serie IIc: Chimie","1999","2","3","147","152","10.1016/S1387-1609(99)80057-7","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000472","22.0237","","22.3722","","7.2962","","90","","90","","90","","3594.97","","","","","","","","","","","","","6","F d d 2","","","","","","- C2 H18 Mn O20 P4 V2 -","","","","","","Barthelet, K.; Jouve, C.; Riou, D.; Ferey, G.","Hybrid open-frameworks: structure determinations and ferromagnetism of MIL-41 or (V(IV)O)(2)M(II)(H2O)(4){HO3P-CH2-PO3}(2).2H(2)O (M = Mn, Co, Ni, Zn): four mixed metallomethylendiphosphonates hydrothermally synthesized by using pre-assembled building units","Solid State Sciences","2000","2","","871","876","10.1016/S1293-2558(00)01093-1","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000477","7.4364","","9.5646","","20.4537","","90","","90","","90","","1454.79","","","","","","","","","","","","","5","P b c 21","","","","","","- C3 H8 Fe O7 P -","","","","","","Riou-Cavellec, M.; Sanselme, M.; Greneche, J. M.; Ferey, G.","Hydrothermal synthesis, structural approach, magnetic and Mossbauer study of the layered Fe(III) carboxyethylphosphonate [Fe(OH)(H2O)(O3P-(CH2)(2)-CO2H)] or MIL-37","Solid State Sciences","2000","2","","717","724","10.1016/S1293-2558(00)01080-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000478","4.8716","","14.614","","15.825","","90","","94.06","","90","","1123.81","","","","","","","","","","","","","6","C 1 2/m 1","","","","","","- C2 H12 K2 O30 P4 V5 -","","","","","","Riou, D.; Serre, C.; Ferey, G.","Hybrid open frameworks - Hydrothermal synthesis and structure determination of MIL-33: a new vanadomethylendiphosphonate intercalating potassium cations","International Journal of Inorganic Materials","2000","2","","551","556","10.1016/S1466-6049(00)00056-8","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000486","12.6707","0.0002","8.24293","0.00008","18.4843","0.0002","90","","109.135","0.0007","90","","1823.91","0.04","","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 N3 O13 P3 Zn3 -","- C6 N3 O13 P3 Zn3 -","- C24 N12 O52 P12 Zn12 -","4","1","","Kongshaug, Kjell Ove; Fjellvag, Helmer; Lillerud, Karl Petter","Synthesis and characterization of a novel layered zinc phosphate","Solid State Sciences","2000","2","","569","576","10.1016/S1293-2558(00)01064-5","powder diffraction","x-ray","0.52227","synchrotron","","","","","","","","","0.0844","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000487","12.2901","0.0002","8.4","0.0001","18.4991","0.0003","90","","114.25","0.001","90","","1741.26","0.05","","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N3 O12 P3 Zn3 -","- C6 N3 O12 P3 Zn3 -","- C24 N12 O48 P12 Zn12 -","4","1","","Kongshaug, Kjell Ove; Fjellvag, Helmer; Lillerud, Karl Petter","Synthesis and characterization of a novel layered zinc phosphate","Solid State Sciences","2000","2","","569","576","10.1016/S1293-2558(00)01064-5","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","0.0607","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000501","7.494","","7.726","","17.852","","90","","97.7","","90","","1024.29","","","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C3 H7 Co2 N O6 P -","","","","","","Choudhury, A.; Natarajan, S.","Inorganic hybrid open-framework structures: synthesis and structure of a cobalt phosphate-oxalate, [C4N2H12](0.5)[Co-2(HPO4)(C2O4)(1.5)]","Solid State Sciences","2000","2","","365","372","10.1016/S1293-2558(00)00146-1","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000502","19.1418","","8.5274","","14.5454","","90","","104.543","","90","","2298.17","","","","","","","","","","","","","6","C 1 2 1","","","","","","- C6 H23 Al3 N4 O17 P4 -","","","","","","Simon, N.; Loiseau, T.; Ferey, G.","Synthesis and crystal structure of MIL-32: a new chiral layered aluminophosphate templated with non chiral tris(2-aminoethyl)amine: Al3(PO4)(4), N4C6H21, H2O","Solid State Sciences","2000","2","","389","395","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000511","13.7642","","15.6796","","4.6902","","90","","90","","90","","1012.23","","","","","","","","","","","","","6","P m m n","","","","","","- C4 H32 K4 O48 P8 V6 -","","","","","","Riou, D.; Baltazar, P.; Ferey, G.","Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations","Solid State Sciences","2000","2","","127","134","10.1016/S1293-2558(00)00103-5","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000512","7.3807","","7.9984","","10.0641","","75.695","","69.178","","80.769","","536.37","","","","","","","","","","","","","6","P -1","","","","","","- C H4 K O11 P2 V2 -","","","","","","Riou, D.; Baltazar, P.; Ferey, G.","Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations","Solid State Sciences","2000","2","","127","134","10.1016/S1293-2558(00)00103-5","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000513","14.4939","","10.2595","","18.6782","","90","","98.991","","90","","2743.33","","","","","","","","","","","","","6","C 1 2/c 1","","","","","","- C3 H13 K O14 P2 V2 -","","","","","","Riou, D.; Baltazar, P.; Ferey, G.","Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations","Solid State Sciences","2000","2","","127","134","10.1016/S1293-2558(00)00103-5","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000514","14.6228","","10.2783","","18.2716","","90","","100.272","","90","","2702.16","","","","","","","","","","","","","6","C 1 2/c 1","","","","","","- C3 H10 K O12 P2 V2 -","","","","","","Riou, D.; Baltazar, P.; Ferey, G.","Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations","Solid State Sciences","2000","2","","127","134","10.1016/S1293-2558(00)00103-5","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000757","9.8461","","9.8461","","7.3591","","90","","90","","120","","617.85","","","","","","","","","","","","","5","P 63/m","","","","","","- H1.2 K0.6 O25.2 P6 Pb9.3 -","","","","","","El, Feki H; Naddari, T.; Savariault, J. M.; Ben, Salah A","Localization of potassium in substituted lead hydroxyapatite: Pb9.30K0.60(PO4)(6)(OH)(1.20) by X-ray diffraction","Solid State Sciences","2000","2","","725","733","10.1016/S1293-2558(00)01075-X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7112721","18.9236","0.0016","10.8634","0.0007","11.9925","0.001","90","","127.54","0.002","90","","1954.8","0.3","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H12 Cl2 N2 O Pt -","- C5 H12 Cl2 N2 O Pt -","- C40 H96 Cl16 N16 O8 Pt8 -","8","1","","Yadav, Paras N.; Beveridge, Ramsay E.; Blay, Jonathan; Boyd, Alaina R.; Chojnacka, Maja W.; Decken, Andreas; Deshpande, Ankur A.; Gardiner, Michael G.; Hambley, Trevor W.; Hughes, Michael J.; Jolly, Leslie; Lavangie, Jacquelyn A.; MacInnis, Timothy D.; McFarland, Sherri A.; New, Elizabeth J.; Gossage, Robert A.","Platinum-oxazoline complexes as anti-cancer agents: syntheses, characterisation and initial biological studies","MedChemComm","2011","2","4","274","","10.1039/c0md00211a","","x-ray","0.71073","MoKα","","0.0484","0.0376","","","0.1017","0.1109","","","","","","1.024","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112722","6.525","0.002","11.816","0.003","17.129","0.004","90","","99.99","0.04","90","","1300.6","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl2 N2 O Pt -","- C11 H14 Cl2 N2 O Pt -","- C44 H56 Cl8 N8 O4 Pt4 -","4","1","","Yadav, Paras N.; Beveridge, Ramsay E.; Blay, Jonathan; Boyd, Alaina R.; Chojnacka, Maja W.; Decken, Andreas; Deshpande, Ankur A.; Gardiner, Michael G.; Hambley, Trevor W.; Hughes, Michael J.; Jolly, Leslie; Lavangie, Jacquelyn A.; MacInnis, Timothy D.; McFarland, Sherri A.; New, Elizabeth J.; Gossage, Robert A.","Platinum-oxazoline complexes as anti-cancer agents: syntheses, characterisation and initial biological studies","MedChemComm","2011","2","4","274","","10.1039/c0md00211a","","","0.71073","MoKα","","0.0572","0.0454","","","0.1245","0.1335","","","","","","1.081","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112723","10.002","0.002","10.64","0.003","12.1261","0.0018","78.2","0.03","67.7","0.02","87.07","0.03","1168.2","0.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N2 O2 S -","- C29 H24 N2 O2 S -","- C58 H48 N4 O4 S2 -","2","1","","Medda, Federico; Joseph, Thomas L.; Pirrie, Lisa; Higgins, Maureen; Slawin, Alexandra M. Z.; Lain, Sonia; Verma, Chandra; Westwood, Nicholas J.","N1-Benzyl substituted cambinol analogues as isozyme selective inhibitors of the sirtuin family of protein deacetylases","MedChemComm","2011","2","7","611","","10.1039/c1md00023c","","","0.71073","MoKα","","0.0544","0.0425","","","0.0997","0.1082","","","","","","0.951","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112724","9.676","0.005","14.4","0.005","14.309","0.005","90","0.005","91.333","0.005","90","0.005","1993.2","1.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C88 H92 N12 O20 -","4","1","","Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan","Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition","MedChemComm","2011","2","7","626","","10.1039/c0md00239a","","","0.71073","MoKα","","0.082","0.0492","","","0.1258","0.1421","","","","","","1.018","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112725","17.888","0.004","11.26","0.003","21.426","0.002","90","","108.65","0.04","90","","4089","1.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H21 N3 O4 -","- C24 H21 N3 O4 -","- C192 H168 N24 O32 -","8","1","","Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan","Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition","MedChemComm","2011","2","7","626","","10.1039/c0md00239a","","","0.71073","MoKα","","0.1943","0.077","","","0.1877","0.2173","","","","","","1.16","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112726","7.681","0.004","11.655","0.005","12.824","0.003","64.68","0.03","76.11","0.04","71.43","0.03","976.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C46 H38 N6 O6 -","2","1","","Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan","Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition","MedChemComm","2011","2","7","626","","10.1039/c0md00239a","","","0.71073","MoKα","","0.1242","0.1054","","","0.4769","0.4954","","","","","","1.265","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112727","9.917","0.005","14.232","0.007","14.838","0.007","90","","94.095","0.011","90","","2088.9","1.8","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C18 H14 F6 N2 O4 S2 -","- C18 H14 F6 N2 O4 S2 -","- C72 H56 F24 N8 O16 S8 -","4","2","","Nakhi, Ali; Prasad, Bagineni; Reddy, Uppender; Rao, Raja Mohan; Sandra, Sandhya; Kapavarapu, Ravikumar; Rambabu, D.; Rama Krishna, G.; Reddy, C. Malla; Ravada, Kishore; Misra, Parimal; Iqbal, Javed; Pal, Manojit","A new route to indoles via in situ desilylation–Sonogashira strategy: identification of novel small molecules as potential anti-tuberculosis agents","MedChemComm","2011","2","10","1006","","10.1039/c1md00148e","","","0.71073","MoKα","","0.1284","0.0918","","","0.2359","0.272","","","","","","1.357","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112728","8.2712","0.0004","12.0103","0.0006","13.3107","0.0006","98.59","0.004","91.371","0.004","108.406","0.004","1237","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O5 S2 -","- C25 H24 N2 O5 S2 -","- C50 H48 N4 O10 S4 -","2","1","","Nakhi, Ali; Prasad, Bagineni; Reddy, Uppender; Rao, Raja Mohan; Sandra, Sandhya; Kapavarapu, Ravikumar; Rambabu, D.; Rama Krishna, G.; Reddy, C. Malla; Ravada, Kishore; Misra, Parimal; Iqbal, Javed; Pal, Manojit","A new route to indoles via in situ desilylation–Sonogashira strategy: identification of novel small molecules as potential anti-tuberculosis agents","MedChemComm","2011","2","10","1006","","10.1039/c1md00148e","","","0.71073","MoKα","","0.0531","0.0429","","","0.1053","0.113","","","","","","1.061","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112729","6.1944","0.0001","11.2496","0.0003","35.8673","0.0008","90","","90","","90","","2499.4","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","1","","Prevatt-Smith, Katherine M; Lovell, Kimberly M.; Simpson, Denise S.; Day, Victor W.; Douglas, Justin T.; Bosch, Peter; Dersch, Christina M.; Rothman, Richard B.; Kivell, Bronwyn; Prisinzano, Thomas E.","Potential Drug Abuse Therapeutics Derived from the Hallucinogenic Natural Product Salvinorin A.","MedChemComm","2011","2","12","1217","1222","10.1039/C1MD00192B","","","1.54178","CuKα","","0.052","0.0458","","","0.1222","0.126","","","","","","1.042","","","","has coordinates,has disorder","301857","2025-08-21","22:47:16",""
"7112730","10.1283","0.0003","8.5022","0.0003","11.0211","0.0004","90","","117.159","0.001","90","","844.42","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C36 H40 N4 O10 -","2","1","","Lou, Chenguang; Xiao, Qiang; Tailor, Radha R.; Ben Gaied, Nouha; Gale, Nittaya; Light, Mark E.; Fox, Keith R.; Brown, Tom","2′-Substituted 2-amino-3-methylpyridine ribonucleosides in triplex-forming oligonucleotides: triplex stability is determined by chemical environment","MedChemComm","2011","2","6","550","","10.1039/c1md00068c","","","0.71073","MoKα","","0.0515","0.0461","","","0.1109","0.1152","","","","","","0.914","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112731","25.4843","0.0004","25.4843","0.0004","4.9785","0.0001","90","","90","","120","","2800.11","0.08","120","2","120","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C108 H162 N18 O36 -","9","1","","Lou, Chenguang; Xiao, Qiang; Tailor, Radha R.; Ben Gaied, Nouha; Gale, Nittaya; Light, Mark E.; Fox, Keith R.; Brown, Tom","2′-Substituted 2-amino-3-methylpyridine ribonucleosides in triplex-forming oligonucleotides: triplex stability is determined by chemical environment","MedChemComm","2011","2","6","550","","10.1039/c1md00068c","","","0.71073","MoKα","","0.0383","0.0342","","","0.072","0.0747","","","","","","1.014","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112732","14.0273","0.0005","16.0539","0.0006","16.2753","0.0006","63.344","0.004","78.108","0.003","79.6","0.003","3188.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C152 H120 N24 O32 -","8","4","","Yeung, Sing Yee; Kampmann, Sven; Stubbs, Keith A.; Skelton, Brian W.; Kaskow, Belinda J.; Abraham, Lawrence J.; Stewart, Scott G.","Novel thalidomide analogues with potent NFκB and TNF expression inhibition","MedChemComm","2011","2","11","1073","","10.1039/c1md00184a","","","0.71073","MoKα","","0.1206","0.0751","","","0.1398","0.1589","","","","","","1.084","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112733","8.0529","0.0006","16.038","0.0008","12.8344","0.0007","90","","101.335","0.006","90","","1625.26","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","Yeung, Sing Yee; Kampmann, Sven; Stubbs, Keith A.; Skelton, Brian W.; Kaskow, Belinda J.; Abraham, Lawrence J.; Stewart, Scott G.","Novel thalidomide analogues with potent NFκB and TNF expression inhibition","MedChemComm","2011","2","11","1073","","10.1039/c1md00184a","","","0.71073","MoKα","","0.1012","0.0495","","","0.1067","0.1165","","","","","","0.927","","","","has coordinates,has disorder","301857","2025-08-21","22:47:16",""
"7112734","9.8793","0.0001","11.1873","0.0002","17.448","0.0004","90","","90","","90","","1928.4","0.06","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","1","","Öhrngren, Per; Wu, Xiongyu; Persson, Magnus; Ekegren, Jenny K.; Wallberg, Hans; Vrang, Lotta; Rosenquist, Åsa; Samuelsson, Bertil; Unge, Torsten; Larhed, Mats","HIV-1 protease inhibitors with a tertiary alcohol containing transition-state mimic and various P2 and P1′ substituents","MedChemComm","2011","2","8","701","","10.1039/c1md00077b","","","0.71073","MoKα","","0.0639","0.0471","","","0.1314","0.1451","","","","","","1.04","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112735","7.9973","0.0004","10.8873","0.0006","11.5879","0.0006","95.196","0.003","98.091","0.003","90.511","0.003","994.56","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H26 Cl2 N2 O3 Pt S2 -","- C14 H26 Cl2 N2 O3 Pt S2 -","- C28 H52 Cl4 N4 O6 Pt2 S4 -","2","1","","Alemán, José; del Solar, Virginia; Alvarez-Valdés, Amparo; Ríos-Luci, Carla; Padrón, José M.; Navarro-Ranninger, Carmen","Novel N-sulfonamide trans-platinum complexes: synthesis, reactivity and in vitro evaluation","MedChemComm","2011","2","8","789","","10.1039/c1md00070e","","","0.71073","MoKα","","0.0138","0.0126","","","0.0307","0.0311","","","","","","1.092","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112736","9.4612","0.0005","13.0067","0.0006","14.8753","0.0008","90","","90","","90","","1830.54","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","1","","Gundluru, Mahesh Kumar; Pourpak, Alan; Cui, Xiaoli; Morris, Stephan W.; Webb, Thomas R.","Design, synthesis and initial biological evaluation of a novel pladienolide analog scaffold.","MedChemComm","2011","2","9","904","908","10.1039/C1MD00040C","","","1.54178","CuKα","","0.0284","0.0274","","","0.068","0.0687","","","","","","1.059","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7150313","10.455","0.003","10.733","0.003","12.049","0.004","81.24","0.02","83.93","0.02","73.22","0.02","1276.7","0.7","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Br4 Cl3 N2 -","- C24 H15 Br4 Cl3 N2 -","- C48 H30 Br8 Cl6 N4 -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.051","","","","0.084","","","","","","1.73","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150314","13.179","0.005","13.971","0.007","20.762","0.009","78.6","0.03","79.29","0.03","80.08","0.03","3645","3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Br12 Cl2 N6 -","- C78 H46 Br12 Cl2 N6 -","- C156 H92 Br24 Cl4 N12 -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.047","","","","0.054","","","","","","1.58","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150315","13.144","0.007","13.939","0.006","20.671","0.009","79.67","0.03","81.27","0.02","80.1","0.02","3642","3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H52 Br12 N6 O0.5 -","- C81 H51 Br12 N6 O0.5 -","- C162 H102 Br24 N12 O -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.049","","","","0.053","","","","","","1.51","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150316","7.792","0.001","10.213","0.002","11.809","0.003","105.66","0.02","94.91","0.03","102.04","0.02","874.9","0.3","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C7 H7 Cl N4 O -","- C7 H7 Cl N4 O -","- C28 H28 Cl4 N16 O4 -","4","2","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.1401","0.0438","","","0.0944","0.1235","","","","","","0.979","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150317","11.185","0.002","8.1266","0.0004","12.711","0.003","90","","107.343","0.009","90","","1102.9","0.3","296","2","296","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H17 N3 O -","- C10 H17 N3 O -","- C40 H68 N12 O4 -","4","1","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.0581","0.0414","","","0.1066","0.1191","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150318","10.9884","0.0009","11.953","0.001","12.2879","0.0008","65.573","0.006","79.7","0.006","63.521","0.006","1315.3","0.2","296","2","296","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C25 H38 N6 -","- C25 H38 N6 -","- C50 H76 N12 -","2","1","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.0987","0.0577","","","0.1555","0.1826","","","","","","1.024","","","","has coordinates,has disorder","301861","2025-08-22","11:11:46",""
"7150319","5.8851","0.0013","10.029","0.002","12.416","0.003","112.711","0.004","91.376","0.004","97.897","0.004","667.2","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H35 N O6 -","- C29 H35 N O6 -","- C29 H35 N O6 -","1","1","","Adams, Luke A.; Charmant, Jonathan P. H.; Cox, Russell J.; Walter, Magnus; Whittingham, William G.","Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.","Organic & biomolecular chemistry","2004","2","4","542","553","10.1039/b311322a","","","0.71073","MoKα","","0.1821","0.0891","","","0.1994","0.2349","","","","","","0.879","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150320","12.425","0.003","18.223","0.005","11.601","0.002","90","","103.042","0.017","90","","2559","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl3 N O4 -","- C24 H26 Cl3 N O4 -","- C96 H104 Cl12 N4 O16 -","4","1","","Adams, Luke A.; Charmant, Jonathan P. H.; Cox, Russell J.; Walter, Magnus; Whittingham, William G.","Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.","Organic & biomolecular chemistry","2004","2","4","542","553","10.1039/b311322a","","","0.71073","MoKα","","0.0975","0.0726","","","0.1946","0.2173","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150321","9.947","0.001","11.658","0.002","12.796","0.001","67.062","0.009","82.79","0.01","70.76","0.01","1306.7","1.1","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","4,4'-methylenebis(N-salicylidene-2,6-diimethylaniline)","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C62 H60 N4 O4 -","2","1","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71069","MoKα","","0.1687","0.0647","","","0.191","0.2723","","","","","","1.013","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7150322","36.7","0.004","8.747","0.004","10.687","0.004","90","","92.62","0.02","90","","3427","2","296","2","296","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline)","","- C39 H46 N2 O2 -","- C39 H46 N2 O2 -","- C156 H184 N8 O8 -","4","0.5","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71073","MoKα","","","0.054","","","","0.065","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150323","18.991","0.004","6.01","0.004","31.619","0.004","90","","103.22","0.01","90","","3513","2","296","2","296","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline)","","- C39 H46 N2 O2 -","- C39 H46 N2 O2 -","- C156 H184 N8 O8 -","4","1","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71073","MoKα","","","0.077","","","","0.105","","","","","","1.189","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150324","17.709","0.003","7.553","0.002","19.656","0.002","90","","100.926","0.008","90","","2581.5","0.9","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O5 -","- C29 H26 N4 O5 -","- C116 H104 N16 O20 -","4","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kuwata, Noriko; Kunitomo, Jun-Ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka","Syntheses of 3-acetoacetylaminobenzo[b]furan derivatives having cysteinyl leukotriene 2 receptor antagonistic activity.","Organic & biomolecular chemistry","2004","2","4","625","635","10.1039/b312682j","","","1.5418","CuKα","","","0.0585","","","","0.1703","","","","","","1.491","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150325","7.357","0.002","9.914","0.002","40.665","0.001","90","","94.22","0.01","90","","2958","1","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br N2 O4 -","- C15 H11 Br N2 O4 -","- C120 H88 Br8 N16 O32 -","8","2","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kuwata, Noriko; Kunitomo, Jun-Ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka","Syntheses of 3-acetoacetylaminobenzo[b]furan derivatives having cysteinyl leukotriene 2 receptor antagonistic activity.","Organic & biomolecular chemistry","2004","2","4","625","635","10.1039/b312682j","","","1.5418","CuKα","","","0.0513","","","","0.146","","","","","","1.776","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150326","7.2055","0.0006","7.8564","0.0007","9.9993","0.0008","101.554","0.006","92.508","0.006","103.229","0.003","537.48","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C22 H22 N6 O4 -","2","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1164","0.0787","","","0.2195","0.2499","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150327","7.3056","0.0004","13.9174","0.0009","12.4289","0.0008","90","","106.53","0.003","90","","1211.48","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1502","0.0874","","","0.2058","0.2397","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150328","11.8517","0.0004","7.48","0.0002","15.7266","0.0006","90","","96.839","0.001","90","","1384.25","0.08","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N4 O2 -","- C13 H18 N4 O2 -","- C52 H72 N16 O8 -","4","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.0765","0.0606","","","0.1483","0.1589","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150329","10.7972","0.0007","11.4319","0.0008","11.7065","0.0008","105.934","0.002","112.814","0.003","101.936","0.003","1198.09","0.15","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","2","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1476","0.1003","","","0.2571","0.2837","","","","","","1.153","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150330","8.9586","0.0005","16.1012","0.0009","18.1413","0.001","90","","97.258","0.002","90","","2595.8","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 N4 O2 -","- C13 H14 N4 O2 -","- C104 H112 N32 O16 -","8","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1272","0.1086","","","0.3476","0.3693","","","","","","1.575","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150331","6.9777","0.0008","8.3569","0.001","9.3808","0.0011","82.847","0.002","71.23","0.002","77.901","0.002","505.45","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 F2 O5 -","- C8 H14 F2 O5 -","- C16 H28 F4 O10 -","2","1","","Audouard, Christophe; Fawcett, John; Griffiths, Gerry A.; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.","Synthesis of 4,4-difluoroglycosides using ring-closing metathesis.","Organic & biomolecular chemistry","2004","2","4","528","541","10.1039/b313731g","","","0.71073","MoKα","","0.0359","0.0334","","","0.0892","0.0907","","","","","","1.111","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150332","30.941","0.01","23.839","0.007","10.252","0.004","90","","90","","90","","7562","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","complex of (R)(+)2,2'-Dihydroxy-1,1'-binaphthyl with (R)(+)N- (3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium Chloride","","","- C78 H87 Cl6 N3 O9 -","- C78 H87 Cl6 N3 O9 -","- C312 H348 Cl24 N12 O36 -","4","1","","Toda, Fumio; Yoshizawa, Kazuhiro; Hyoda, Shunji; Toyota, Shinji; Chatziefthimiou, Spyros; Mavridis, Irene M.","Efficient resolution of 2,2'-dihydroxy-1,1'-binaphthyl by inclusion complexation with chiral N-(3-chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride.","Organic & biomolecular chemistry","2004","2","4","449","451","10.1039/b314040g","","","1.5418","CuKα","","0.0702","0.0446","","","0.1043","0.1202","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150333","7.578","0.0003","9.7836","0.0004","12.0885","0.0005","90","","92.028","0.002","90","","895.68","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 O2 S -","- C9 H14 O2 S -","- C36 H56 O8 S4 -","4","1","","Grainger, Richard S.; Tisselli, Patrizia; Steed, Jonathan W.","Diastereotopic group selective intramolecular cycloadditions of sulfenic acids to 1,4-dienes.","Organic & biomolecular chemistry","2004","2","2","151","153","10.1039/b314176d","","","0.71073","MoKα","","0.056","0.0361","","","0.0779","0.0839","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150334","7.1304","0.0003","10.9979","0.0004","13.4699","0.0006","109.079","0.002","92.054","0.001","100.681","0.002","975.68","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","pt062a","","","- C9 H15 O2.5 S -","- C9 H15 O2.5 S -","- C36 H60 O10 S4 -","4","2","","Grainger, Richard S.; Tisselli, Patrizia; Steed, Jonathan W.","Diastereotopic group selective intramolecular cycloadditions of sulfenic acids to 1,4-dienes.","Organic & biomolecular chemistry","2004","2","2","151","153","10.1039/b314176d","","","0.71073","MoKα","","0.0475","0.0347","","","0.0832","0.0892","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150335","16.3285","0.0016","11.9385","0.0011","17.5557","0.0013","90","","116.7","0.04","90","","3057.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 F2 N O5 -","- C14 H19 F2 N O5 -","- C112 H152 F16 N8 O40 -","8","2","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.1446","0.0595","","","0.125","0.1588","","","","","","0.939","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150336","6.951","0.004","8.869","0.005","13.399","0.007","98.346","0.01","96.497","0.009","91.913","0.01","811","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 F2 N O5 -","- C15 H21 F2 N O5 -","- C30 H42 F4 N2 O10 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.178","0.0718","","","0.1506","0.1912","","","","","","0.887","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150337","7.8012","0.0005","8.9989","0.0005","14.119","0.0009","96.881","0.003","102.152","0.003","108.9","0.003","897.6","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 F2 N O5 -","- C16 H23 F2 N O5 -","- C32 H46 F4 N2 O10 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","1.54178","CuKα","","0.0638","0.0563","","","0.1632","0.1693","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150338","7.3657","0.0007","7.5078","0.0007","10.1384","0.0009","77.063","0.002","78.383","0.002","89.452","0.002","534.86","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 F2 O6 -","- C10 H10 F2 O6 -","- C20 H20 F4 O12 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.0354","0.0316","","","0.0851","0.0871","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150339","9.7681","0.0013","11.809","0.0015","10.5162","0.0015","90","","114.677","0.009","90","","1102.3","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H14 F2 O3 -","- C11 H14 F2 O3 -","- C44 H56 F8 O12 -","4","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71069","MoKα","","0.0604","0.0563","","","0.1948","0.2013","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150340","9.8294","0.0012","8.3435","0.0013","13.9113","0.0016","90","","98.998","0.01","90","","1126.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 F2 O3 -","- C11 H16 F2 O3 -","- C44 H64 F8 O12 -","4","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71069","MoKα","","0.086","0.0646","","","0.1743","0.2216","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150341","7.6474","0.0007","21.062","0.005","3.6345","0.0002","90","","90","","90","","585.41","0.15","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","5-pyrimidylboronic acid hemihydrate","","- C4 H6 B N2 O2.5 -","- C4 H6 B N2 O2.5 -","- C16 H24 B4 N8 O10 -","4","1","","Saygili, Nezire; Batsanov, Andrei S.; Bryce, Martin R.","5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.","Organic & biomolecular chemistry","2004","2","6","852","857","10.1039/b314624n","","","0.71073","MoKα","","0.038","0.0318","","","0.0797","0.0835","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150342","9.1245","0.0011","3.7622","0.0007","20.595","0.006","90","","95.806","0.004","90","","703.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-bis(2-methoxy-3-pyridyl)pyrimidine","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","1","","Saygili, Nezire; Batsanov, Andrei S.; Bryce, Martin R.","5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.","Organic & biomolecular chemistry","2004","2","6","852","857","10.1039/b314624n","","","0.71073","MoKα","","0.0547","0.0403","","","0.0965","0.104","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150343","9.6878","0.0016","5.3021","0.0006","15.229","0.003","90","","107.292","0.005","90","","746.9","0.2","173","2","173","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C6 H12 F N O2 -","- C6 H11 F N O2 -","- C24 H44 F4 N4 O8 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","x-ray","0.71073","MoKα","","0.0804","0.0669","","","0.1735","0.1826","","","","","","1.102","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150344","9.005","0.002","16.541","0.005","16.841","0.004","90","","90","","90","","2508.5","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C92 H144 N8 O20 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","","0.71073","MoKα","","0.1789","0.0672","","","0.1267","0.1668","","","","","","0.982","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150345","9.637","0.004","5.314","0.003","14.574","0.007","90","","93.1","0.03","90","","745.3","0.6","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C6 H12 F N O2 -","- C6 H8.76 F N O2 -","- C24 H35.04 F4 N4 O8 -","4","2","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","x-ray","0.71073","MoKα","","0.2149","0.1075","","","0.2256","0.2851","","","","","","1.035","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150346","7.356","0.002","19.87","0.005","15.136","0.004","90","","91.37","0.01","90","","2211.7","1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-Butylphenyl)-5-[4-(3,3-diethoxy-propyn-1-yl)- phenyl]-1,3,4-oxadiazole","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0677","0.043","","","0.0958","0.1052","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150347","14.835","0.005","6.161","0.001","25.549","0.003","90","","91.14","0.01","90","","2334.7","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-Butylphenyl)-5-[4-(5,5-diethoxy-1,3-pentadiyn-1-yl)- phenyl]-1,3,4-oxadiazole","","- C27 H28 N2 O3 -","- C27 H28 N2 O3 -","- C108 H112 N8 O12 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0838","0.0561","","","0.1371","0.152","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150348","11.945","0.002","6.183","0.001","23.46","0.005","90","","97.94","0.01","90","","1716","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{3-[5-(4-tert-Butylphenyl)-1,3,4-oxadiazol-2-yl]-phenyl}- propynal","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0737","0.0525","","","0.1459","0.1606","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150349","10.878","0.001","11","0.001","12.705","0.001","114.866","0.01","105.881","0.01","97.048","0.01","1276.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(3-{4-[5-(4-tert-Butylphenyl)-1,3,4-oxadiazol-2-yl]-phenyl}- prop-2-ynylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester","","- C28 H24 N2 O5 S2 -","- C28 H24 N2 O5 S2 -","- C56 H48 N4 O10 S4 -","2","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0406","0.0351","","","0.0904","0.0952","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150350","13.365","0.004","11.036","0.004","19.88","0.003","90","","94.05","0.02","90","","2924.9","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","","- C59 H71 N5 O6 Si3 -","- C59 H66 N5 O6 Si3 -","- C118 H132 N10 O12 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","0.7093","","","0.0995","0.0525","","","0.1492","0.1792","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150351","20.698","0.002","28.908","0.003","11.465","0.0018","90","","90","","90","","6859.9","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","","- C66 H83 N5 O9 Si3 -","- C66 H67 N5 O9 Si3 -","- C264 H268 N20 O36 Si12 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54178","CuKα","","0.0891","0.0807","","","0.1978","0.2047","","","","","","1.157","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150352","9.808","0.0005","10.901","0.0004","21.496","0.0008","90","","95.211","0.002","90","","2288.79","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(triisopropylsilyl)-guanosine","2',3',5'-O-tris(triisopropylsilyl)-guanosine","","- C37 H73 N5 O5 Si3 -","- C37 H73 N5 O5 Si3 -","- C74 H146 N10 O10 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.1122","0.1089","","","0.372","0.3936","","","","","","1.981","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150353","31.591","0.0006","10.875","0.0002","17.005","0.0002","90","","101.092","0.001","90","","5732.97","0.17","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","2'-deoxy-3',5'-O-bis(tert-butyldimethylsilyl)-guanosine","2'-deoxy-3',5'-O-bis(tert-butyldimethylsilyl)-guanosine","","- C22 H41 N5 O4 Si2 -","- C22 H41 N5 O4 Si2 -","- C176 H328 N40 O32 Si16 -","8","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0776","0.0768","","","0.2123","0.2138","","","","","","1.034","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150354","17.326","0.0004","11.369","0.0003","17.395","0.0004","90","","116.838","0.002","90","","3057.38","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","2',3'-O-bis(tert-butyldimethylsilyl)-guanosine","2',3'-O-bis(tert-butyldimethylsilyl)-guanosine","","- C24 H45 N5 O7 Si2 -","- C24 H45 N5 O7 Si2 -","- C96 H180 N20 O28 Si8 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0534","0.0533","","","0.1414","0.1415","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150355","10.168","0.0008","8.024","0.0006","22.947","0.0019","90","","90","0.004","90","","1872.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(tert-butyldimethylsilyl)-adenosine","2',3',5'-O-tris(tert-butyldimethylsilyl)-adenosine","","- C28 H55 N5 O4 Si3 -","- C28 H55 N5 O4 Si3 -","- C56 H110 N10 O8 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0858","0.0809","","","0.1898","0.1964","","","","","","1.086","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150356","16.428","0.004","7.794","0.006","23.465","0.005","90","","104.988","0.016","90","","2902","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3'-O-bis(tert-butyldimethylsilyl)-adenosine","2',3'-O-bis(tert-butyldimethylsilyl)-adenosine","","- C22 H41 N5 O4 Si2 -","- C22 H41 N5 O4 Si2 -","- C88 H164 N20 O16 Si8 -","4","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","0.7107","MoKα","","0.1288","0.0454","","","0.1035","0.1288","","","","","","0.988","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150357","7.5","0.0001","8.329","0.0001","43.319","0.0004","90","","90","","90","","2706.03","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine","3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine","","- C22 H41 N5 O3 Si2 -","- C22 H41 N5 O3 Si2 -","- C88 H164 N20 O12 Si8 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.5418","CuKα","","0.0422","0.0416","","","0.1226","0.1256","","","","","","1.108","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150358","7.955","0.0002","12.398","0.0004","18.035","0.0004","98.98","0.002","99.526","0.002","101.012","0.002","1689.22","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","2',3'-O-bis(triisopropylsilyl)-guanosine","2',3'-O-bis(triisopropylsilyl)-guanosine","","- C28 H53 N5 O5 Si2 -","- C28 H53 N5 O5 Si2 -","- C56 H106 N10 O10 Si4 -","2","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0883","0.0857","","","0.2408","0.2496","","","","","","1.056","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150359","8.124","0.004","16.606","0.01","7.179","0.003","90","","113.24","0.02","90","","889.9","0.8","150","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,5-diazido-4-methyl(1,5-b)tetrazolopridazine","3,5-diazido-4-methyl[1,5-b]tetrazolopridazine","","- C5 H3 N11 -","- C5 H3 N11 -","- C20 H12 N44 -","4","1","","Allan, Robin D.; Greenwood, Jeremy R.; Hambley, Trevor W.; Hanrahan, Jane R.; Hibbs, David E.; Itani, Samia; Tran, Hue W.; Turner, Peter","Studies on pyridazine azide cyclisation reactions.","Organic & biomolecular chemistry","2004","2","12","1782","1788","10.1039/b316190k","","","0.56356","synchrotron","","0.2443","0.2088","","","0.5283","0.5585","","","","","","2.339","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150360","5.7327","0.0008","7.6069","0.0006","10.45","0.002","96.967","0.013","104.847","0.014","109.68","0.008","403.83","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C5 H5 N9 -","- C5 H5 N9 -","- C10 H10 N18 -","2","1","","Allan, Robin D.; Greenwood, Jeremy R.; Hambley, Trevor W.; Hanrahan, Jane R.; Hibbs, David E.; Itani, Samia; Tran, Hue W.; Turner, Peter","Studies on pyridazine azide cyclisation reactions.","Organic & biomolecular chemistry","2004","2","12","1782","1788","10.1039/b316190k","","","1.54178","CuKα","","0.0773","0.0536","","","0.1246","0.1315","","","","","","1.284","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150361","19.275","0.004","8.415","0.003","23.953","0.005","90","","111.9","0.01","90","","3604.8","1.7","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","C36 H34 B2 F8 N6 O1 Pt1","","","- C36 H34 B2 F8 N6 O Pt -","- C36 H34 B2 F8 N6 O Pt -","- C144 H136 B8 F32 N24 O4 Pt4 -","4","1","","Sielemann, Dirk; Winter, Andreas; Flörke, Ulrich; Risch, Nikolaus","Selective synthesis of U-shaped terpyridines. Versatile ligands for the preparation of platinum complexes.","Organic & biomolecular chemistry","2004","2","6","863","868","10.1039/b316633c","","","0.71073","MoKα","","0.0902","0.0537","","","0.1207","0.1367","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150362","6.8956","0.0002","8.0263","0.0002","25.0635","0.0007","90","","90","","90","","1387.17","0.07","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F O3 -","- C15 H17 F O3 -","- C60 H68 F4 O12 -","4","1","","Buffet, Marianne F.; Dixon, Darren J.; Ley, Steven V.; Reynolds, Dominic J.; Storer, R. Ian","Anomeric oxygen to carbon rearrangements of alkynyl tributylstannane derivatives of furanyl (gamma)- and pyranyl (delta)-lactols.","Organic & biomolecular chemistry","2004","2","8","1145","1154","10.1039/b316858a","","","0.71073","MoKα","","0.0892","0.0625","","","0.1631","0.1868","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150363","9.642","0.007","10.277","0.007","10.081","0.007","90","","91.89","0.03","90","","998.4","1.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","5,6-Bis(trifluoromethyl)-2-methoxy-1H-1,3-diazepine","5,6-Bis(trifluoromethyl)-2-methoxy-1H-1,3-diazepine","","- C8 H6 F6 N2 O -","- C8 H6 F6 N2 O -","- C32 H24 F24 N8 O4 -","4","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0653","0.0494","","","0.149","0.1637","","","","","","1.1","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150364","13.243","0.003","5.6585","0.0005","13.304","0.003","90","","116.61","0.01","90","","891.3","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","6,7-Bis(trifluoromethyl)-2,4-diazabicyclo(3.2.0)heptan-3-one","6,7-Bis(trifluoromethyl)-2,4-diazabicyclo[3.2.0]heptan-3-one","","- C7 H6 F6 N2 O -","- C7 H6 F6 N2 O -","- C28 H24 F24 N8 O4 -","4","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0909","0.0423","","","0.101","0.1223","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150365","7.607","0.002","8.04","0.002","8.369","0.001","96.79","0.02","98.36","0.03","104.7","0.02","483.4","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","4-Diethylamino-1,5-dihydro-(1,3)diazepin-2-one","4-Diethylamino-1,5-dihydro-[1,3]diazepin-2-one","","- C9 H15 N3 O -","- C9 H15 N3 O -","- C18 H30 N6 O2 -","2","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0727","0.0434","","","0.1088","0.1244","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150366","5.8002","0.0001","14.4736","0.0003","15.751","0.0003","90","","91.141","0.001","90","","1322.03","0.04","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol","","- C38 H26 O2 -","- C38 H26 O2 -","- C76 H52 O4 -","2","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0541","0.043","","","0.1123","0.1198","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150367","10.2961","0.0001","14.9893","0.0002","17.8825","0.0003","108.255","0.001","91.524","0.001","109.284","0.001","2447.71","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 4(N,N- dimethylacetamide) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 4(N,N-dimethylacetamide) clathrate","","- C54 H62 N4 O6 -","- C54 H26 N4 O6 -","- C108 H52 N8 O12 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.1611","0.0894","","","0.2508","0.299","","","","","","1.071","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150368","7.9629","0.0003","9.0266","0.0004","13.5092","0.0007","77.015","0.002","83.033","0.002","84.212","0.002","936.47","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 2(N,N- dimethylacetamide) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 2(N,N-dimethylacetamide) clathrate","","- C46 H44 N2 O4 -","- C46 H44 N2 O4 -","- C46 H44 N2 O4 -","1","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.1197","0.0695","","","0.1722","0.2029","","","","","","1.046","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150369","13.1096","0.0003","12.8883","0.0002","12.0038","0.0002","90","","92.247","0.001","90","","2026.61","0.07","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 3(1,4-dioxane) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 3(1,4-dioxane) clathrate","","- C50 H50 O8 -","- C50 H50 O8 -","- C100 H100 O16 -","2","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0729","0.0468","","","0.1071","0.1191","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150370","7.7993","0.0001","21.9845","0.0004","21.0296","0.0004","90","","94.552","0.001","90","","3594.44","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9,9'-(Biphenyl-4,4'-diyl)bis(flouren-9-ol). 2(methyl ethyl ketone) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(flouren-9-ol). 2(methyl ethyl ketone) clathrate","","- C46 H42 O4 -","- C46 H42 O4 -","- C184 H168 O16 -","4","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0582","0.044","","","0.1027","0.1106","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150371","7.319","0.001","21.573","0.001","8.799","0.001","90","","108.02","0.01","90","","1321.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C44 H76 N4 O24 -","4","1","","Griesbeck, Axel G.; Bondock, Samir; Lex, Johann","Stereoselective generation of vicinal stereogenic quaternary centers by photocycloaddition of 5-methoxy oxazoles to alpha-keto esters: synthesis of erythro beta-hydroxy dimethyl aspartates.","Organic & biomolecular chemistry","2004","2","8","1113","1115","10.1039/b401990c","","","0.71073","MoKα","","0.1965","0.0562","","","0.1017","0.139","","","","","","0.956","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150372","25.75","0.01","11.464","0.002","20.37","0.007","90","","125.61","0.02","90","","4889","3","296","2","296","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Br N O5 -","- C23.992 H31.972 Br N O5 -","- C191.936 H255.776 Br8 N8 O40 -","8","1","","Williams, Craig M.; Heim, Ralf; Brecknell, Douglas J.; Bernhardt, Paul V.","Unprecedented photochemical induced cascading rearrangement of the 3-azabicyclo[3.3.1]nonane skeleton.","Organic & biomolecular chemistry","2004","2","6","806","807","10.1039/b402200a","","x-ray","0.71073","MoKα","","0.1682","0.0529","","","0.1241","0.1662","","","","","","0.998","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150373","7.2889","0.0008","12.26","0.001","16.917","0.004","99.24","0.01","97.78","0.02","90.4","0.01","1477.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C32 H39 N O8 -","- C32 H39 N O8 -","- C64 H78 N2 O16 -","2","1","","Williams, Craig M.; Heim, Ralf; Brecknell, Douglas J.; Bernhardt, Paul V.","Unprecedented photochemical induced cascading rearrangement of the 3-azabicyclo[3.3.1]nonane skeleton.","Organic & biomolecular chemistry","2004","2","6","806","807","10.1039/b402200a","","x-ray","0.71073","MoKα","","0.2611","0.0776","","","0.1871","0.2736","","","","","","0.961","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150374","8.827","0.002","21.647","0.004","11.075","0.002","90","","100.493","0.003","90","","2080.8","0.7","293","1","293","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 S2 -","- C27 H20 S2 -","- C108 H80 S8 -","4","1","","van Delden, Richard A.; ter Wiel, Matthijs K. J.; de Jong, Harmen; Meetsma, Auke; Feringa, Ben L.","Exploring the boundaries of a light-driven molecular motor design: new sterically overcrowded alkenes with preferred direction of rotation.","Organic & biomolecular chemistry","2004","2","10","1531","1541","10.1039/b402222j","","","0.71073","MoKα","","0.0834","0.0498","","","0.1179","0.1342","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150375","15.582","0.0009","9.9509","0.0006","7.9189","0.0005","90","","97.128","0.003","90","","1218.37","0.13","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","1","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.033","0.0309","","","0.0718","0.0735","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150376","5.8416","0.0001","6.9482","0.0002","31.7123","0.0012","86.981","0.001","89.733","0.001","68.635","0.001","1196.89","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","2","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.0836","0.0603","","","0.1211","0.1306","","","","","","1.145","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150377","12.61","0.003","12.464","0.003","16.763","0.003","90","","107.01","0.03","90","","2519.4","1","240","","240","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C104 H136 N24 O8 -","8","2","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.1194","0.0477","","0.0581","0.0443","0.0443","","","","","","1.1747","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150378","7.575","0.005","13.478","0.006","10.641","0.006","90","","109.04","0.05","90","","1027","1","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H33 N O5 Si -","- C16 H33 N O5 Si -","- C32 H66 N2 O10 Si2 -","2","1","","Li, Hongqing; Blériot, Yves; Chantereau, Caroline; Mallet, Jean-Maurice; Sollogoub, Matthieu; Zhang, Yongmin; Rodríguez-García, Eliazar; Vogel, Pierre; Jiménez-Barbero, Jesús; Sinaÿ, Pierre","The first synthesis of substituted azepanes mimicking monosaccharides: a new class of potent glycosidase inhibitors.","Organic & biomolecular chemistry","2004","2","10","1492","1499","10.1039/b402542c","","","0.71073","MoKα","","0.0799","0.0577","","0.0929","0.068","0.068","","","","","","1.0005","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150379","11.431","0.01","14.985","0.015","10.19","0.03","92.1","0.2","104.7","0.17","70.09","0.09","1585","5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38.6 N2 O10.3 -","- C32 H38 N2 O10.3 -","- C64 H76 N4 O20.6 -","2","1","","Pasini, Dario; Righetti, Pier Paolo; Zema, Michele","C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation.","Organic & biomolecular chemistry","2004","2","12","1764","1769","10.1039/b403494e","","","0.71073","MoKα","","0.1944","0.0854","","","0.1767","0.2221","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150380","8.186","0.005","18.852","0.016","6.057","0.015","96.7","0.2","106.03","0.11","80.81","0.08","884","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O12 -","- C36 H46 N2 O12 -","- C36 H46 N2 O12 -","1","0.5","","Pasini, Dario; Righetti, Pier Paolo; Zema, Michele","C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation.","Organic & biomolecular chemistry","2004","2","12","1764","1769","10.1039/b403494e","","","0.71073","MoKα","","0.3122","0.1514","","","0.3324","0.4208","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150381","6.9162","0.0012","21.895","0.004","20.761","0.003","90","","91.611","0.004","90","","3142.6","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 I2 Se6 -","- C8 H4 I2 Se6 -","- C64 H32 I16 Se48 -","8","2","","Shirahata, Takashi; Imakubo, Tatsuro","Synthesis of novel selenium-containing donors as selenium analogues of diiodo(ethylenedithio)diselenadithiafulvalene (DIETS).","Organic & biomolecular chemistry","2004","2","12","1685","1687","10.1039/b406092j","","","0.71073","MoKα","","0.0706","0.0537","","","0.1321","0.1422","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150382","6.4271","0.0003","7.7669","0.0004","14.1095","0.0008","95.29","0.002","94.206","0.002","111.866","0.002","646.44","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C28 H28 F6 N2 O4 -","2","1","","Hoffmann-Röder, Anja; Seiler, Paul; Diederich, François","Nucleophilic trifluoromethylation of cyclic imides using (trifluoromethyl)trimethylsilane CF3SiMe3.","Organic & biomolecular chemistry","2004","2","16","2267","2269","10.1039/b407555b","","","0.7107","MoKα","","0.0723","0.0467","","","0.127","0.1507","","","","","","0.931","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150383","5.473","0.0002","11.0206","0.0004","12.9676","0.0005","90","","100.877","0.002","90","","768.1","0.05","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H16 O8 S -","- C14 H16 O8 S -","- C28 H32 O16 S2 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Palomero, Maria A.; Polara, Alessandra; Rodriguez, Felix; Sheppard, Tom D.","Studies on the generation of enolate anions from butane-2,3-diacetal protected glycolic acid derivatives and subsequent highly diastereoselective coupling reactions with aldehydes and acid chlorides.","Organic & biomolecular chemistry","2004","2","24","3618","3627","10.1039/b412790k","","","0.71069","MoKα","","0.0475","0.0385","","","0.0883","0.0935","","","","","","1.125","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7151552","12.5942","0.0011","18.0596","0.0017","22.178","0.002","97.231","0.002","97.264","0.002","104.726","0.002","4773.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H70 O5 -","- C51 H70 O5 -","- C204 H280 O20 -","4","2","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.13","0.073","","0.093","","0.088","","","1.344","","","1.479","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151553","19.111","0.002","19.764","0.002","18.122","0.002","90","","90","","90","","6844.9","1.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H91 N O35 Ru3 S4 -","- C62 H81 N O35 Ru3 S4 -","- C248 H324 N4 O140 Ru12 S16 -","4","0.5","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.103","0.053","","0.087","","0.055","","","1.24","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151554","11.187","0.002","12.038","0.002","12.244","0.002","61.561","0.002","69.877","0.002","74.679","0.002","1351.3","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cl3 N O4 -","- C29 H30 Cl3 N O4 -","- C58 H60 Cl6 N2 O8 -","2","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.059","0.042","","0.052","","0.047","","","0.943","","","0.99","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151555","12.307","0.001","31.192","0.003","12.43","0.001","90","","112.518","0.001","90","","4407.8","0.7","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 O4 -","- C50 H60 O4 -","- C200 H240 O16 -","4","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.071","0.046","","0.058","","0.052","","","1.127","","","1.215","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151556","26.365","0.001","12.614","0.001","12.585","0.003","90","","90","","90","","4185.4","1.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46.5 H59.75 N1.25 O4 -","- C46.486 H59.729 N1.243 O4 -","- C185.944 H238.916 N4.972 O16 -","4","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.089","0.073","","0.08","","0.078","","","1.133","","","1.204","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151557","21.163","0.002","21.401","0.002","25.508","0.002","107.194","0.001","108.912","0.001","90.083","0.002","10380.1","1.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C55.5 H76 O8 -","- C55.5 H72 O8 -","- C444 H576 O64 -","8","4","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.201","0.107","","0.133","","0.12","","","1.5","","","1.85","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151558","12.439","0.003","13.78","0.003","14.061","0.003","78.082","0.004","88.428","0.004","76.002","0.004","2287.6","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H70 O5 -","- C51 H70 O5 -","- C102 H140 O10 -","2","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.142","0.075","","0.088","","0.081","","","1.224","","","1.244","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151575","14.2716","0.0002","17.0905","0.0003","17.5293","0.0002","76.145","0.001","74.066","0.001","80.183","0.001","3966.45","0.1","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[C60F15{C(CO2Et)3}3].2(CDCl3)","","","- C92 H45 Cl6 D2 F15 O18 -","- C92 H47 Cl6 F15 O18 -","- C184 H94 Cl12 F30 O36 -","2","1","","Burley, Glenn A.; Avent, Anthony G.; Gol'dt, Ilya V.; Hitchcock, Peter B.; Al-Matar, Hamad; Paolucci, Demis; Paolucci, Francesco; Fowler, Patrick W.; Soncini, Alessandro; Street, Joan M.; Taylor, Roger","Design and synthesis of multi-component 18 pi annulenic fluorofullerene ensembles suitable for donor-acceptor applications.","Organic & biomolecular chemistry","2004","2","3","319","329","10.1039/b309959h","","x-ray","0.71073","MoKα","","0.1172","0.0902","","","0.2301","0.2518","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151576","10.12","0.001","7.299","0.001","10.965","0.001","90","","98.76","0.01","90","","800.49","0.16","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 F O4 -","- C7 H9 F O4 -","- C28 H36 F4 O16 -","4","1","","Rosen, Thomas C.; De Clercq, Erik; Balzarini, Jan; Haufe, Günter","Synthesis and antiviral activity of monofluorinated cyclopropanoid nucleosides.","Organic & biomolecular chemistry","2004","2","2","229","237","10.1039/b310059f","","","1.54178","CuKα","","0.0544","0.0532","","","0.1559","0.1582","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151577","6.9444","0.0011","6.4862","0.001","9.16","0.002","90","","99.437","0.014","90","","407.01","0.13","","","110","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo(5,4-c)-pyridine- 5-carboxylic acid ((S)-(-)-5-HPCA)","(S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]- pyridine-5-carboxylic acid [(S)-(-)-5-HPCA]","","- C7 H10 N2 O5 -","- C7 H10 N2 O5 -","- C14 H20 N4 O10 -","2","1","","Vogensen, Stine B.; Greenwood, Jeremy R.; Varming, Annemarie R.; Brehm, Lotte; Pickering, Darryl S.; Nielsen, Birgitte; Liljefors, Tommy; Clausen, Rasmus P.; Johansen, Tommy N.; Krogsgaard-Larsen, Povl","A stereochemical anomaly: the cyclised (R)-AMPA analogue (R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid [(R)-5-HPCA] resembles (S)-AMPA at glutamate receptors.","Organic & biomolecular chemistry","2004","2","2","206","213","10.1039/b310450h","","","1.5418","CuKα","","0.0219","0.0207","","0.0305","0.0287","0.0287","","","","","","1.0663","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151589","7.621","0.001","8.543","0.001","14.83","0.002","90","","90","","90","","965.5","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H7 Cl F N -","- C2 H7 Cl F N -","- C16 H56 Cl8 F8 N8 -","8","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.0344","0.0265","","","0.0651","0.0688","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151590","6.821","0.007","10.177","0.009","12.07","0.02","110.74","0.13","90.8","0.2","103.32","0.09","758.3","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl F N -","- C16 H19 Cl F N -","- C32 H38 Cl2 F2 N2 -","2","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.1876","0.0887","","","0.2026","0.2708","","","","","","0.935","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151591","7.34","0.002","9.302","0.003","12.025","0.004","90","","92.072","0.005","90","","820.5","0.4","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H13 Cl F N O -","- C6 H13 Cl F N O -","- C24 H52 Cl4 F4 N4 O4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.0419","0.0391","","","0.1017","0.1052","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151592","7.335","0.002","6.9524","0.0019","13.17","0.004","90","","93.567","0.005","90","","670.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Cl F2 N -","- C4 H10 Cl F2 N -","- C16 H40 Cl4 F8 N4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.1038","0.0645","","","0.1541","0.1776","","","","","","0.925","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151593","9.21","0.03","12.66","0.04","14.89","0.05","90","","90","","90","","1736","10","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl F N -","- C19 H23 Cl F N -","- C76 H92 Cl4 F4 N4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.129","0.0475","","","0.0793","0.1007","","","","","","0.961","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151594","4.8021","0.001","11.86","0.002","21.79","0.004","90","","95.098","0.004","90","","1236.1","0.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl I N4 O -","- C10 H10 Cl I N4 O -","- C40 H40 Cl4 I4 N16 O4 -","4","1","","Taddei, David; Kilian, Petr; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and full characterisation of 6-chloro-2-iodopurine, a template for the functionalisation of purines.","Organic & biomolecular chemistry","2004","2","5","665","670","10.1039/b312629c","","","0.71073","MoKα","","0.0329","0.0279","","","0.0624","0.0645","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151595","7.172","0.002","16.732","0.005","7.577","0.002","90","","115.863","0.004","90","","818.2","0.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Cl I N4 O -","- C5 H4 Cl I N4 O -","- C20 H16 Cl4 I4 N16 O4 -","4","1","","Taddei, David; Kilian, Petr; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and full characterisation of 6-chloro-2-iodopurine, a template for the functionalisation of purines.","Organic & biomolecular chemistry","2004","2","5","665","670","10.1039/b312629c","","","0.71073","MoKα","","0.0347","0.0302","","","0.0727","0.0753","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151596","10.841","0.002","11.998","0.003","12.157","0.003","103.14","0.02","97.91","0.02","103.65","0.02","1465.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Br N O2 -","- C15 H19 Br N O2 -","- C60 H76 Br4 N4 O8 -","4","2","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.1402","0.0754","","","0.1702","0.2017","","","","","","1.11","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151597","6.521","0.001","8.187","0.001","17.336","0.002","90","","92.72","0.01","90","","924.5","0.2","293","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl2 N O3 -","- C17 H27 Cl2 N O3 -","- C34 H54 Cl4 N2 O6 -","2","1","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.0337","0.031","","","0.0863","0.0888","","","","","","1.091","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151598","7.2507","0.0011","12.939","0.002","15.788","0.002","90","","90","","90","","1481.2","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O2 -","- C15 H20 Cl N O2 -","- C60 H80 Cl4 N4 O8 -","4","1","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.0651","0.0453","","","0.0962","0.1151","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151599","18.525","0.003","10.4917","0.0015","15.695","0.002","90","","95.085","0.002","90","","3038.5","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 Cl4 O2 Sn4 -","- C20 H40 Cl4 O2 Sn4 -","- C80 H160 Cl16 O8 Sn16 -","4","0.5","","Cunningham, Anthony; Mokal-Parekh, Vijaya; Wilson, Claire; Woodward, Simon","On the use of mixtures of organotin species for catalytic enantioselective ketone allylation‒a detective story.","Organic & biomolecular chemistry","2004","2","5","741","748","10.1039/b313384b","","","0.71073","MoKα","","0.0443","0.0332","","","0.0847","0.0888","","","","","","1.031","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151600","18.064","0.001","13.961","0.001","9.143","0.001","90","","90","","90","","2305.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O4 -","- C25 H31 N O4 -","- C100 H124 N4 O16 -","4","1","","Urones, Julio G.; Garrido, Narciso M.; Díez, David; El Hammoumi, Mohamed M.; Dominguez, Sara H.; Antonio Casaseca, J.; Davies, Stephen G.; Smith, Andrew D.","Asymmetric synthesis of the stereoisomers of 2-amino-5-carboxymethyl-cyclopentane-1-carboxylate.","Organic & biomolecular chemistry","2004","2","3","364","372","10.1039/b313386a","","","1.5418","CuKα","","0.0483","0.0457","","0.1272","0.121","","","","1.047","1.041","1.041","","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151601","18.1633","0.0008","11.0249","0.0005","14.0928","0.0008","90","","97.171","0.002","90","","2800","0.2","","","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2'-dihydroxyl-1,1'-binaphthyl diquinoline","2,2'-dihydroxyl-1,1'-binaphthyl diquinoline","","- C38 H28 N2 O2 -","- C38 H28 N2 O2 -","- C152 H112 N8 O8 -","4","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.1264","0.0531","","","0.1001","0.1235","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151602","14.8402","0.0003","10.5377","0.0002","9.7304","0.0002","90","","99.443","0.001","90","","1501.04","0.05","","","203","2","","","","","","","","4","C 1 2 1","C 2y","5","2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline","2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline","","- C40 H32 N2 O2 -","- C40 H32 N2 O2 -","- C80 H64 N4 O4 -","2","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.063","0.0378","","","0.081","0.0894","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151603","8.8396","0.0001","9.4695","0.0001","21.6106","0.0003","94.652","0.001","98.068","0.001","103.822","0.001","1726.77","0.04","","","203","2","","","","","","","","4","P -1","-P 1","2","2,2'-dihydroxyl-1,1'-binaphthyl 6-methylquinoline clathrate","2,2'-dihydroxyl-1,1'-binaphthyl 6-methylquinoline clathrate","","- C45 H36.5 N2.5 O2 -","- C45 H32 N2.5 O2 -","- C90 H64 N5 O4 -","2","1","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.118","0.0745","","","0.2028","0.2283","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151604","14.4495","0.0003","11.0481","0.0003","19.6571","0.0006","90","","105.1","0.001","90","","3029.7","0.14","","","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2-dihydroxyl-1,1'-binaphthyl di-8-methylquinoline","2,2-dihydroxyl-1,1'-binaphthyl di-8-methylquinoline","","- C40 H32 N2 O2 -","- C40 H32 N2 O2 -","- C160 H128 N8 O8 -","4","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.111","0.0534","","","0.1265","0.152","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151605","8.9072","0.0013","18.141","0.003","12.9956","0.0019","90","","94.949","0.003","90","","2092.1","0.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O5 S -","- C20 H24 N2 O5 S -","- C80 H96 N8 O20 S4 -","4","1","","Scanlan, Eoin M.; Slawin, Alexandra M. Z.; Walton, John C.","Preparation of beta- and gamma-lactams from carbamoyl radicals derived from oxime oxalate amides.","Organic & biomolecular chemistry","2004","2","5","716","724","10.1039/b315223e","","","0.71073","MoKα","","0.0405","0.0341","","","0.0831","0.0868","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151606","12.626","0.001","14.332","0.002","20.971","0.002","90","","95.257","0.002","90","","3778.9","0.7","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(Di-tert-butyl-hydroxy-silanyloxy)-2-methyl-5-oxo-2,5-dihydro-furan- -2-carboxylic acid ethyl ester","","- C16 H28 O6 Si -","- C16 H28 O6 Si -","- C128 H224 O48 Si8 -","8","4","","Gathergood, Nicholas; Juhl, Karsten; Poulsen, Thomas B.; Thordrup, Karl; Jørgensen, Karl Anker","Direct catalytic asymmetric aldol reactions of pyruvates: scope and mechanism.","Organic & biomolecular chemistry","2004","2","7","1077","1085","10.1039/b316092k","","","0.71073","MoKα","","","0.055","","","","0.065","","","","","","1.45","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151607","6.4668","0.0005","10.4584","0.0004","19.4553","0.0012","90","","90","","90","","1315.81","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C44 H76 N4 O20 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3S)-3'-fluoroisoleucine.","Organic & biomolecular chemistry","2004","2","5","797","802","10.1039/b316219b","","x-ray","0.71073","MoKα","","0.0441","0.0397","","","0.1023","0.1052","","","","","","1.102","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151608","9.811","0.007","13.067","0.006","11.121","0.005","90","","104.99","0.04","90","","1377.2","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 F N O4 Si -","- C27 H36 F N O4 Si -","- C54 H72 F2 N2 O8 Si2 -","2","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3S)-3'-fluoroisoleucine.","Organic & biomolecular chemistry","2004","2","5","797","802","10.1039/b316219b","","","1.5418","CuKα","","0.0744","0.0635","","0.1749","0.1634","","","","1.061","1.083","1.083","","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151609","5.2672","0.0014","12.0311","0.0014","17.196","0.002","104.049","0.009","98.288","0.015","99.018","0.015","1025","0.3","290","2","290","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H25 N O2 Se -","- C22 H25 N O2 Se -","- C44 H50 N2 O4 Se2 -","2","2","","Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.","Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.","Organic & biomolecular chemistry","2004","2","9","1315","1329","10.1039/b316502g","","","1.54178","CuKα","","0.0362","0.0325","","","0.0712","0.0735","","","","","","1.097","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151610","9.055","0.0009","4.8997","0.0006","18.0554","0.0019","90","","100.842","0.003","90","","786.76","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 Se -","- C19 H19 N O2 Se -","- C38 H38 N2 O4 Se2 -","2","1","","Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.","Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.","Organic & biomolecular chemistry","2004","2","9","1315","1329","10.1039/b316502g","","","1.54178","CuKα","","0.0319","0.0319","","","0.0914","0.0914","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151611","10.2869","0.0016","6.7635","0.0011","11.4718","0.0018","90","","111.162","0.003","90","","744.3","0.2","289","2","289","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","(E)-4-(11-azuleno(2,1-b)benzothiophenyl)-3-butene-2-one","(E)-4-(11-azuleno[2,1-b]benzothiophenyl)-3-butene-2-one","","- C20 H14 O S -","- C20 H14 O S -","- C40 H28 O2 S2 -","2","0.5","","Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko","An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative.","Organic & biomolecular chemistry","2004","2","9","1413","1418","10.1039/b401579g","","","0.71073","MoKα","","0.0529","0.0413","","","0.11","0.1173","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151612","18.905","0.003","4.7718","0.0007","33.799","0.005","90","","90","","90","","3049","0.8","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(E)-4-(11-azuleno(1,2-b)benzothiophenyl)-3-butene-2-one","(E)-4-(11-azuleno[1,2-b]benzothiophenyl)-3-butene-2-one","","- C20 H14 O S -","- C20 H14 O S -","- C160 H112 O8 S8 -","8","2","","Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko","An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative","Organic & Biomolecular Chemistry","2004","2","9","1413","1418","10.1039/b401579g","","","0.71073","MoKα","","0.1765","0.0827","","","0.1934","0.2379","","","","","","0.917","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151613","9.767","0.005","13.052","0.004","11.178","0.004","90","","105.26","0.03","90","","1374.7","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H34 D3 N O4 Si -","- C27 H37 N O4 Si -","- C54 H74 N2 O8 Si2 -","2","1","","Charrier, Jean-Damien; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3R)-[3',3',3'-2H3]-valine and (2S,3S)-4-fluorovaline.","Organic & biomolecular chemistry","2004","2","9","1310","1314","10.1039/b401646g","","","1.5418","CuKα","","0.0595","0.0479","","0.1277","0.1173","","","","1.047","1.058","1.058","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151614","7.673","0.001","11.394","0.002","11.894","0.002","97.22","0.01","106.92","0.01","90.85","0.01","985.5","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F2 N3 O2 -","- C23 H19 F2 N3 O2 -","- C46 H38 F4 N6 O4 -","2","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","1.5418","CuKα","","0.0533","0.0449","","","0.1256","0.1343","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151615","9.4926","0.0002","10.3004","0.0003","10.9831","0.0003","93.68","0.001","94.13","0.001","115.22","0.001","963.64","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F2 N3 O2 -","- C23 H19 F2 N3 O2 -","- C46 H38 F4 N6 O4 -","2","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0583","0.0437","","","0.1161","0.1293","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151616","3.7369","0.0002","6.2036","0.0003","28.8526","0.0018","90","","90","","90","","668.87","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H3 F2 N O -","- C8 H3 F2 N O -","- C32 H12 F8 N4 O4 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0405","0.0327","","","0.0677","0.0722","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151617","11.636","0.0006","6.9444","0.0004","26.6949","0.0016","90","","98.983","0.002","90","","2130.6","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl F3 N3 O3 -","- C23 H21 Cl F3 N3 O3 -","- C92 H84 Cl4 F12 N12 O12 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0782","0.0664","","","0.1639","0.1709","","","","","","1.169","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151618","4.889","0.0007","20.18","0.002","19.844","0.002","90","","96.211","0.005","90","","1946.3","0.4","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 F3 N3 O2 -","- C23 H18 F3 N3 O2 -","- C92 H72 F12 N12 O8 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.1434","0.1252","","","0.3214","0.3317","","","","","","1.161","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151619","8.3987","0.0006","5.7449","0.0004","15.9653","0.0012","90","","90.774","0.001","90","","770.25","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Yamamoto, Yoshihiko; Kinpara, Keisuke; Saigoku, Tomoaki; Nishiyama, Hisao; Itoh, Kenji","Synthesis of benzo-fused lactams and lactones via Ru(II)-catalyzed cycloaddition of amide- and ester-tethered alpha,omega-diynes with terminal alkynes: electronic directing effect of internal conjugated carbonyl group.","Organic & biomolecular chemistry","2004","2","9","1287","1294","10.1039/b402649g","","","0.71073","MoKα","","0.0506","0.0493","","","0.1318","0.1349","","","","","","0.719","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151620","19.184","0.003","19.184","0.003","10.165","0.004","90","","90","","90","","3741","1.7","180","2","180","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H26 F2 O8 -","- C16 H26 F2 O8 -","- C128 H208 F16 O64 -","8","1","","Frederickson, Martyn; Roszak, Aleksander W.; Coggins, John R.; Lapthorn, Adrian J.; Abell, Chris","(1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases.","Organic & biomolecular chemistry","2004","2","11","1592","1596","10.1039/b404535a","","","0.71069","MoKα","","0.0738","0.0473","","0.1077","0.096","","","","1.024","1.07","1.07","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151621","9.2885","0.0004","9.7175","0.0004","10.1841","0.0005","67.61","0.002","83.86","0.002","66.887","0.002","780.73","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Ethyl-5-acetyl-8-methoxy-3a,4,5,9b-tetrahydro-3H- cyclopenta(c)quinoline -4-carboxylate","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew","Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.","Organic & biomolecular chemistry","2004","2","17","2451","2460","10.1039/b407293f","","","0.71073","MoKα","","0.0735","0.049","","","0.1329","0.1433","","","","","","1.034","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151622","7.959","0.014","16.44","0.014","12.342","0.013","90","","90.01","0.01","90","","1615","4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew","Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.","Organic & biomolecular chemistry","2004","2","17","2451","2460","10.1039/b407293f","","x-ray","1.54178","CuKα","","0.0867","0.0559","","","0.1366","0.1564","","","","","","1.012","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151623","7.22","0.0008","8.7222","0.0013","11.6617","0.0014","90","","98.271","0.011","90","","726.75","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 I N6 O2 -","- C10 H15 I N6 O2 -","- C20 H30 I2 N12 O4 -","2","0.5","","Krüger, Thomas; Bruhn, Clemens; Steinborn, Dirk","Synthesis of [(MeCyt)2H]I-structure and stability of a dimeric threefold hydrogen-bonded 1-methylcytosinium 1-methylcytosine cation.","Organic & biomolecular chemistry","2004","2","17","2513","2516","10.1039/b407542k","","","0.71073","MoKα","","0.0418","0.0286","","","0.0557","0.062","","","","","","1.096","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151624","9.287","0.0002","9.393","0.0002","10.735","0.0003","81.726","0.001","72.983","0.001","71.805","0.002","849.25","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","9-[4-(N,N-Dimethylamino)phenyl]ethynyl-acridine","","","- C23 H18 N2 -","- C23 H18 N2 -","- C46 H36 N4 -","2","1","","Elangovan, Arumugasamy; Chiu, Hsing-Hua; Yang, Shu-Wen; Ho, Tong-Ing","Arylethynylacridines: electrochemiluminescence and photophysical properties.","Organic & biomolecular chemistry","2004","2","21","3113","3118","10.1039/b410829a","","","0.71073","MoKα","","0.0671","0.0483","","0.1449","0.1278","","","","1.023","1.067","1.067","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151625","14.668","0.002","5.7076","0.0008","18.373","0.003","90","","95.266","0.003","90","","1531.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Cren, Sylvaine; Gurcha, Sudagar S.; Blake, Alexander J.; Besra, Gurdyal S.; Thomas, Neil R.","Synthesis and biological evaluation of new inhibitors of UDP-Galf transferase–a key enzyme in M. tuberculosis cell wall biosynthesis.","Organic & biomolecular chemistry","2004","2","17","2418","2420","10.1039/b411554f","","","0.71073","MoKα","","0.0486","0.0396","","","0.107","0.113","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7153515","14.9171","0.0002","12.9531","0.0002","19.9159","0.0003","90","","107.734","0.0008","90","","3665.33","0.09","172","","","","","","","","","","Diederich Group","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","2","","Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois","New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.","Organic & Biomolecular Chemistry","2004","2","14","1962","1964","10.1039/b404311a","","","0.71073","MoKα","","0.0671","0.0485","","","0.1391","0.1541","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153516","7.6166","0.0003","16.8616","0.0008","17.8082","0.0007","88.088","0.003","81.177","0.003","77.664","0.002","2207.83","0.16","100","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H52 Cl1.5 N12 O4 -","- C42.5 H52 Cl1.5 N12 O4 -","- C85 H104 Cl3 N24 O8 -","2","1","","Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois","New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.","Organic & Biomolecular Chemistry","2004","2","14","1962","1964","10.1039/b404311a","","","0.71073","MoKα","","0.1056","0.0843","","","0.2208","0.2353","","","","","","1.622","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153517","5.804","0.001","11.033","0.001","15.991","0.001","90","","90","","90","","1024","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N2 O5 -","- C8 H16 N2 O5 -","- C32 H64 N8 O20 -","4","1","","Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition","Organic & Biomolecular Chemistry","2004","2","18","2630","2649","10.1039/b404962d","","","0.71073","MoKα","","0.041","0.0389","","0.0311","0.0309","0.0309","","","","","","1.1139","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153518","8.2499","0.0009","13.392","0.003","18.48","0.002","90","","90","","90","","2041.7","0.6","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 I N O4 -","- C19 H26 I N O4 -","- C76 H104 I4 N4 O16 -","4","1","","Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition","Organic & Biomolecular Chemistry","2004","2","18","2630","2649","10.1039/b404962d","","","1.54175","CuKα","","","0.036","","","0.04","","","","","","","","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153519","9.0094","0.0005","13.0282","0.0007","15.5661","0.0012","90","","90","","90","","1827.1","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N3 O6 Tc -","- C16 H16 N3 O6 Tc -","- C64 H64 N12 O24 Tc4 -","4","1","","van Staveren, Dave R.; Mundwiler, Stefan; Hoffmanns, Ulrich; Pak, Jae Kyoung; Spingler, Bernhard; Metzler-Nolte, Nils; Alberto, Roger","Conjugation of a novel histidine derivative to biomolecules and labelling with [99mTc(OH2)3(CO)3]+Electronic supplementary information (ESI) available: complete 1H and 13C NMR spectra of 14, 15, 16 and 19. See http://www.rsc.org/suppdata/ob/b4/b405575f/","Organic & Biomolecular Chemistry","2004","2","18","2593","2603","10.1039/b405575f","","","0.71073","MoKα","","0.0501","0.0386","","","0.0874","0.0915","","","","","","0.981","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153520","9.685","0.008","8.592","0.006","23.185","0.013","90","","92.13","0.03","90","","1928","2","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","2","","Kino, Rie; Daikai, Kazuhiro; Kawanami, Toshio; Furuno, Hiroshi; Inanaga, Junji","Remarkable effect of tris(4-fluorophenyl)phosphine oxide on the stabilization of chiral lanthanum complex catalysts. A new and practical protocol for the highly enantioselective epoxidation of conjugated enonesElectronic supplementary information (ESI) available: HPLC analysis of 2, 1H NMR data for 3 and 4, and crystal data for 5. See http://www.rsc.org/suppdata/ob/b4/b405882h/","Organic & Biomolecular Chemistry","2004","2","13","1822","1824","10.1039/b405882h","","","0.71075","MoKα","","0.1613","0.1203","","","0.2872","0.3124","","","","","","1.067","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153521","21.0458","0.0009","5.9725","0.0002","13.3797","0.0007","90","","110.221","0.002","90","","1578.12","0.12","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C56 H84 N4 O16 S4 -","4","1","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.","Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones","Organic & Biomolecular Chemistry","2004","2","20","2932","2934","10.1039/b406804c","","","0.71073","MoKα","","0.0836","0.0571","","","0.1339","0.1506","","","","","","1.123","","","","has coordinates,has disorder","301861","2025-08-22","11:12:08",""
"7153522","19.5297","0.0006","5.7494","0.0002","13.7124","0.0006","90","","105.224","0.002","90","","1485.65","0.1","180","2","180","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.","Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones","Organic & Biomolecular Chemistry","2004","2","20","2932","2934","10.1039/b406804c","","","0.71073","MoKα","","0.0708","0.0475","","","0.1099","0.1201","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153523","12.342","0.017","28.44","0.04","13.777","0.019","90","","107.291","0.018","90","","4617","11","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H19.5 Cl1.5 N3 O6 -","- C19.5 H18.5 Cl1.5 N3 O6 -","- C156 H148 Cl12 N24 O48 -","8","2","","Pearson, Russell J.; Kassianidis, Eleftherios; Slawin, Alexandra M. Z.; Philp, Douglas","Self-replication vs. reactive binary complexes?manipulating recognition-mediated cycloadditions by simple structural modifications","Organic & Biomolecular Chemistry","2004","2","23","3434","3441","10.1039/b406862a","","","0.71073","MoKα","","0.6464","0.162","","","0.2765","0.5156","","","","","","0.818","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153524","31.0859","0.0007","31.0859","0.0007","4.6544","0.0001","90","","90","","120","","3895.12","0.15","150","2","173","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","hexakis(2-pyridylmethyl)cyclotriveratrylene hydrate","","","- C57 H51 N6 O10.5 -","- C57 H48 N6 O10.5 -","- C171 H144 N18 O31.5 -","3","0.166667","","Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.","Building blocks for cyclotriveratrylene-based coordination networks","Organic & Biomolecular Chemistry","2004","2","20","2958","2964","10.1039/b407165d","","","0.71073","MoKα","","0.0884","0.0831","","","0.2232","0.2296","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153525","12.036","0.002","12.09","0.002","18.469","0.004","104.18","0.03","98.27","0.03","109.89","0.03","2372.9","1.1","150","2","293","2","","","","","","","","4","P -1","-P 1","2","tris(8-quinolinylmethyl)cyclotriguaiacylene) aceonitrile solvate","","","- C58 H51 N5 O6 -","- C58 H51 N5 O6 -","- C116 H102 N10 O12 -","2","1","","Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.","Building blocks for cyclotriveratrylene-based coordination networks","Organic & Biomolecular Chemistry","2004","2","20","2958","2964","10.1039/b407165d","","","0.71073","MoKα","","0.0799","0.0627","","","0.1623","0.178","","","","","","1.056","","","","has coordinates,has disorder","301861","2025-08-22","11:12:08",""
"7153526","16.912","0.006","21.522","0.008","31.46","0.012","90.638","0.007","102.614","0.007","105.37","0.008","10746","7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74.5 B3 F12 N2 O8.25 P -","- C45 H74 B3 F12 N2 O8.25 P -","- C360 H592 B24 F96 N16 O66 P8 -","8","4","","Georges, Norma; Loeb, Stephen J.; Tiburcio, Jorge; Wisner, James A.","[2]Rotaxanes containing pyridinium?phosphonium axles and 24-crown-8 ether wheels","Organic & Biomolecular Chemistry","2004","2","19","2751","2756","10.1039/b407653b","","","0.71073","MoKα","","0.2402","0.1061","","","0.2777","0.3365","","","","","","0.975","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153527","22.881","0.003","6.314","0.001","28.86","0.004","90","","109.86","0.01","90","","3921.4","1","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(4-tert-butylphenyl)-5-(4-(2-pyrazylethynyl)phenyl)-1,3,4- oxadiazole","2-(4-tert-butylphenyl)-5-{4-(2-pyrazylethynyl)phenyl}- 1,3,4-oxadiazole","","- C24 H20 N4 O -","- C24 H20 N4 O -","- C192 H160 N32 O8 -","8","2","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0823","0.0497","","","0.1328","0.1537","","","","","","0.971","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153528","6.1665","0.0005","6.9748","0.0005","22.943","0.003","83.55","0.01","84.09","0.01","83.67","0.01","970.45","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-tert-butylphenyl)-5-{4-(3-thienylethynyl)phenyl}- 1,3,4-oxadiazole","","- C24 H20 N2 O S -","- C24 H20 N2 O S -","- C48 H40 N4 O2 S2 -","2","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.041","0.037","","","0.104","0.1081","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153529","6.345","0.002","6.985","0.002","23.672","0.008","94.24","0.01","91.96","0.01","91.93","0.01","1045","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-tert-butylphenyl)-5-{4-(5-ethynyl-2-thienylethynyl)phenyl}- 1,3,4-oxadiazole","","- C26 H20 N2 O S -","- C26 H19.95 N2 O S -","- C52 H39.9 N4 O2 S2 -","2","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0725","0.0451","","","0.1147","0.1366","","","","","","1.072","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153530","6.1798","0.0004","26.851","0.008","13.65","0.001","90","","92.26","0.01","90","","2263.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-butylphenyl)-5-{5-(2-pyrazyl-ethynyl)-2-thienyl}- 1,3,4-oxadiazole, chloroform monosolvate","","- C23 H19 Cl3 N4 O S -","- C23 H19 Cl3 N4 O S -","- C92 H76 Cl12 N16 O4 S4 -","4","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0647","0.035","","","0.0718","0.0809","","","","","","0.93","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153531","8.23","0.01","9.09","0.02","22.57","0.04","90","","90","","90","","1688","5","82","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Wang, Libo; Nakamura, Shuichi; Toru, Takeshi","Highly enantioselective reaction of lithiated N-Boc-thiazolidine: a new chiral formyl anion equivalent","Organic & Biomolecular Chemistry","2004","2","15","2168","2169","10.1039/b408509d","","","1.5419","CuKα","","","0.066","","","","0.068","","","","","","4.581","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153532","9.1902","0.0005","14.444","0.0007","15.8727","0.001","90","","94.398","0.002","90","","2100.8","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Cyclohexyl-2-cyclohexylimino-2-phenylacetimidic acid isopropyl ester","","- C23 H34 N2 O -","- C23 H34 N2 O -","- C92 H136 N8 O4 -","4","2","","Whitby, Richard J.; Gustaf Saluste, C.; Furber, Mark","Synthesis of ?-iminoimidates by palladium catalysed double isonitrile insertion","Organic & Biomolecular Chemistry","2004","2","14","1974","1976","10.1039/b408673m","","","0.71073","MoKα","","0.0683","0.0439","","","0.0905","0.0986","","","","","","1.191","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153533","11.1668","0.0003","11.7777","0.0003","20.32","0.0006","90","","90","","90","","2672.47","0.13","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N4 O3 -","- C30 H36 N4 O3 -","- C120 H144 N16 O12 -","4","1","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1061","0.0765","","","0.1793","0.1945","","","","","","1.036","","","","has coordinates,has disorder","301861","2025-08-22","11:12:08",""
"7153534","13.788","0.002","17.251","0.003","9.9242","0.001","90","","107.786","0.009","90","","2247.7","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 N3 O3 -","- C23 H35 N3 O3 -","- C92 H140 N12 O12 -","4","1","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1753","0.1281","","","0.2857","0.3148","","","","","","1.065","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153535","13.0112","0.0009","17.31","0.003","17.729","0.004","88.46","0.014","81.647","0.01","88.021","0.01","3947.3","1.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.17 H40.5 N4.17 O2.33 -","- C25.1667 H40.5 N4.16667 O2.33333 -","- C151 H243 N25 O14 -","6","3","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1121","0.0904","","","0.2491","0.2694","","","","","","1.112","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153536","7.476","0.0001","14.31","0.0002","26.388","0.0004","90","","90","","90","","2823.03","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N3 O5 S2 -","- C28 H41 N3 O5 S2 -","- C112 H164 N12 O20 S8 -","4","1","","Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael","The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/","Organic & Biomolecular Chemistry","2004","2","18","2664","2670","10.1039/b409259g","","","0.71073","MoKα","","0.0619","0.0419","","","0.0854","0.0931","","","","","","0.999","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153537","10.752","0.004","11.183","0.005","21.829","0.01","90","","90","","90","","2624.7","1.9","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 N3 O4 S2 -","- C24 H37 N3 O4 S2 -","- C96 H148 N12 O16 S8 -","4","1","","Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael","The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/","Organic & Biomolecular Chemistry","2004","2","18","2664","2670","10.1039/b409259g","","","0.71069","MoKα","","0.0887","0.0448","","","0.1024","0.1162","","","","","","1.055","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153538","14.1926","0.0007","14.1055","0.0009","18.319","0.0011","90","","90","","90","","3667.3","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","7-NEt2,4'-OH","","- C19 H20 B F4 N O2 -","- C19 H20 B F4 N O2 -","- C152 H160 B8 F32 N8 O16 -","8","1","","Moncada, Margarida C.; Fern�ndez, Dami�n; Lima, Jo�o C.; Parola, A. Jorge; Lodeiro, Carlos; Folgosa, Filipe; Melo, M. Jo�o; Pina, Fernando","Multistate properties of 7-(N,N-diethylamino)-4?-hydroxyflavylium. An example of an unidirectional reaction cycle driven by pH","Organic & Biomolecular Chemistry","2004","2","19","2802","2808","10.1039/b409260k","","","1.5418","CuKα","","0.0886","0.0607","","","0.1549","0.1975","","","","","","0.998","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153539","10.259","0.001","16.12","0.002","8.654","0.002","104.45","0.01","105.78","0.01","96.235","0.008","1309.5","0.4","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 N O4 -","- C31 H31 N O4 -","- C62 H62 N2 O8 -","2","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka","Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors","Organic & Biomolecular Chemistry","2004","2","23","3427","3431","10.1039/b411286e","","","1.5418","CuKα","","","0.0587","","","","0.1827","","","","","","1.358","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153540","7.309","0.001","15.546","0.001","13.8909","0.0009","90","","104.34","0.008","90","","1529.2","0.3","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka","Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors","Organic & Biomolecular Chemistry","2004","2","23","3427","3431","10.1039/b411286e","","","1.5418","CuKα","","","0.0659","","","","0.213","","","","","","1.721","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153541","10.818","0.011","11.701","0.013","12.827","0.013","105.1","0.1","101.25","0.1","115.44","0.1","1325","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H70 F12 N8 O12 P2 -","- C44 H70 F12 N8 O12 P2 -","- C44 H70 F12 N8 O12 P2 -","1","0.5","","Cruz, Carla; Delgado, Rita; Drew, Michael G. B.; F�lix, V�tor","Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor","Organic & Biomolecular Chemistry","2004","2","20","2911","2918","10.1039/b412059k","","","0.71073","MoKα","","0.1278","0.1101","","","0.2736","0.2874","","","","","","1.055","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153542","8.04","0.01","28.57","0.029","13.42","0.015","90","","93.41","0.1","90","","3077","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 F12 N8 O12 P2 -","- C56 H78 F12 N8 O12 P2 -","- C112 H156 F24 N16 O24 P4 -","2","0.5","","Cruz, Carla; Delgado, Rita; Drew, Michael G. B.; F�lix, V�tor","Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor","Organic & Biomolecular Chemistry","2004","2","20","2911","2918","10.1039/b412059k","","","0.71073","MoKα","","0.1522","0.0956","","","0.1806","0.2043","","","","","","1.077","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153543","10.785","0.002","14.2","0.003","17.438","0.004","94.857","0.004","102.039","0.005","90.567","0.004","2601.4","0.9","203.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C68 H62 N4 -","- C68 H62 N4 -","- C136 H124 N8 -","2","1","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","","0.07","","","","0.199","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153544","30.864","0.008","11.647","0.002","18.709","0.005","90","","117.893","0.005","90","","5944","2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H60 N4 O2 Zn -","- C76 H52 N4 Zn -","- C304 H208 N16 Zn4 -","4","0.5","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","0.1429","0.1022","","","0.295","0.3209","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153545","12.6459","0.0005","15.6657","0.0008","16.2904","0.001","92.816","0.009","111.014","0.01","109.678","0.008","2783.2","0.4","203.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H42 Cl3 N5 Zn -","- C74 H42 Cl3 N5 Zn -","- C148 H84 Cl6 N10 Zn2 -","2","1","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","","0.059","","","","0.18","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153546","7.7959","0.0009","20.639","0.003","11.0953","0.0014","90","","90","","90","","1785.2","0.4","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Pathak, Rakhi; Vandayar, Kantharuby; van Otterlo, Willem A. L.; Michael, Joseph P.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of angularly fused polyaromatic compounds by using a light-assisted, base-mediated cyclization reaction","Organic & Biomolecular Chemistry","2004","2","23","3504","3509","10.1039/b412932f","","","0.71073","MoKα","","0.0756","0.0464","","","0.1268","0.1415","","","","","","1.031","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7203907","6.9104","0.0002","15.8694","0.0005","13.2342","0.0004","90","","103.602","0.002","90","","1410.61","0.07","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Raston, Colin L.; Scott, Janet L.","Chemoselective, solvent-free aldol condensation reaction","Green Chemistry","2000","2","2","49","","10.1039/a907688c","","","0.71073","MoKα","","0.0844","0.0492","","","0.1063","0.1163","","","","","","1.061","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203908","7.272","0.0003","7.5704","0.0002","12.3802","0.0004","77.14","0.002","89.263","0.002","69.134","0.002","619.23","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O -","- C18 H14 O -","- C36 H28 O2 -","2","1","","Raston, Colin L.; Scott, Janet L.","Chemoselective, solvent-free aldol condensation reaction","Green Chemistry","2000","2","2","49","","10.1039/a907688c","","","0.71073","MoKα","","0.0707","0.0466","","","0.1176","0.1345","","","","","","1.078","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203909","12.2718","0.0002","7.8706","0.0001","16.1076","0.0003","90","","102.299","0.001","90","","1520.07","0.04","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Raston, Colin L.; Scott, Janet L.","Chemoselective, solvent-free aldol condensation reaction","Green Chemistry","2000","2","2","49","","10.1039/a907688c","","","0.71073","MoKα","","0.0641","0.0448","","","0.1089","0.116","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203914","13.192","0.003","13.192","0.003","46.149","0.009","90","","90","","120","","6955","3","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","Co-DAF4","","","- C11.56 H26.43 Al7.35 Co1.65 N1.65 O37.05 P9 -","- C13.2 Al7.35 Co1.65 O37.04 P9 -","- C79.2 Al44.1 Co9.9 O222.24 P54 -","6","0.166667","","Barrett, P. A.; Jones, R. H.","Evidence for ordering of cobalt ions in the microporous solid acid catalyst CoDAF-4 by single crystal X-ray diffraction and resonant X-ray powder diffraction","Physical Chemistry Chemical Physics","2000","2","3","407","","10.1039/a907883e","","","0.71069","MoKα","","0.1128","0.0591","","0.1774","0.1453","","","","0.88","1.226","1.226","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203969","14.4429","0.0005","8.0609","0.0003","24.3908","0.0007","90","","99.51","0.002","90","","2800.62","0.16","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tris-(O-allyl)CTV","2,7,12,-trimethoxy-3,8,13-tri(prop-1-enoxy)-10,15-dihydro-5H-tribenzo [a,d,g]cyclononene","","- C33 H36 O6 -","- C33 H36 O6 -","- C132 H144 O24 -","4","1","","Scott, Janet L.; MacFarlane, Douglas R.; Raston, Colin L.; Teoh, Ching Mei","Clean, efficient syntheses of cyclotriveratrylene (CTV) and tris-(O-allyl)CTV in an ionic liquid","Green Chemistry","2000","2","4","123","","10.1039/b000825g","","","0.71073","MoKα","","0.136","0.0689","","","0.1581","0.1946","","","","","","1.031","","","","has coordinates","301863","2025-08-22","13:06:30",""
"7203981","13.503","0.001","8.435","0.001","14.839","0.001","90","","112.24","0.01","90","","1564.4","0.3","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H25 N3 O7 S -","- C10 H25 N3 O7 S -","- C40 H100 N12 O28 S4 -","4","1","","Ilczyszyn, Maria M.; Wierzejewska, Maria; Ciunik, Zbigniew","Crystal structure and vibrational spectra of bis(betaine) sulfamate","Physical Chemistry Chemical Physics","2000","2","15","3503","","10.1039/b003284k","","","0.71073","MoKα","","0.0366","0.0327","","","0.0897","0.0954","","","","","","1.077","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203982","13.467","0.001","8.353","0.001","14.701","0.001","90","","112","0.01","90","","1533.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H25 N3 O7 S -","- C10 H25 N3 O7 S -","- C40 H100 N12 O28 S4 -","4","1","","Ilczyszyn, Maria M.; Wierzejewska, Maria; Ciunik, Zbigniew","Crystal structure and vibrational spectra of bis(betaine) sulfamate","Physical Chemistry Chemical Physics","2000","2","15","3503","","10.1039/b003284k","","","0.71073","MoKα","","0.0307","0.0282","","","0.0763","0.0783","","","","","","1.049","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7204003","15.043","0.004","15.37","0.003","21.872","0.005","90","","90","","90","","5057","2","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Cl2 N6 Ni O9 -","- C20 H28 Cl2 N6 Ni O9 -","- C160 H224 Cl16 N48 Ni8 O72 -","8","1","","Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Ciattini, Samuele; Giorgi, Claudia; Paoletti, Piero; Valtancoli, Barbara; Secco, Fernando; Rosaria Tinè, Maria; Venturini, Marcella","Ni(II) and Co(II) complexes with a phenanthroline-containing macrocycle. Thermodynamic, structural and kinetic considerations","Physical Chemistry Chemical Physics","2000","2","21","4864","","10.1039/b004442n","","","1.54178","CuKα","","0.0705","0.0677","","","0.1902","0.1936","","","","","","1.053","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204010","10.437","0.002","12.707","0.003","12.841","0.003","91.22","0.03","108.34","0.03","111.03","0.03","1491.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C76 H48 N8 S4 -","4","2","","Borowicz, Paweł; Herbich, Jerzy; Kapturkiewicz, Andrzej; Anulewicz-Ostrowska, Romana; Nowacki, Jacek; Grampp, Günter","Nature of the lowest triplet states of 4'-substituted N-phenylphenothiazine derivatives","Physical Chemistry Chemical Physics","2000","2","19","4275","","10.1039/b005058j","","","0.71073","MoKα","","0.1759","0.0471","","0.1828","0.1225","","","","1.046","1.204","1.204","","","","","has coordinates","301863","2025-08-22","13:06:30",""
"7204028","5.9637","0.0002","9.123","0.0006","12.0646","0.0007","99.666","0.003","96.329","0.003","95.837","0.003","638.28","0.06","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C28 H28 O12 -","2","1","","Scott, Janet L.; Raston, Colin L.","Solvent-free synthesis of 3-carboxycoumarins","Green Chemistry","2000","2","5","245","","10.1039/b006704k","","","0.71073","MoKα","","0.0673","0.0437","","","0.0947","0.1038","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:06:30",""
"7204029","5.11","0.0002","19.5292","0.0004","9.4299","0.0003","90","","99.909","0.002","90","","927.01","0.05","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-methoxy,3-carboxy-coumarin","","- C11 H8 O5 -","- C11 H7 O5 -","- C44 H28 O20 -","4","1","","Scott, Janet L.; Raston, Colin L.","Solvent-free synthesis of 3-carboxycoumarins","Green Chemistry","2000","2","5","245","","10.1039/b006704k","","","0.71073","MoKα","","0.069","0.0437","","","0.104","0.1157","","","","","","1.037","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7209448","5.37","","5.37","","10.188","","90","","90","","90","","293.79","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Cr5 B3","","- B3 Cr5 -","- B3 Cr5 -","- B12 Cr20 -","4","0.125","","Robitsch, H.","Die Struktur der Mischboride (Cr, Fe)2 B und (Cr, Fe)5 B3 in Edelstaehlen und die Revision des zugrundeliegenden Teiles des Systems Cr-B","Archiv fur Lagerstaettenforschung, Ostalpen","1974","2","","239","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7217887","5.3623","","5.3623","","5.3623","","90","","90","","90","","154.189","","","","","","","","","","","","","2","P 1","P 1","1","","Cerium(IV)oxide","","- Ce O2 -","- Ce O2 -","- Ce4 O8 -","4","4","","Vanpoucke, Danny E. P.; Bultinck, Patrick; Cottenier, Stefaan; Van Speybroeck, Veronique; Van Driessche, Isabel","Aliovalent doping of CeO2: DFT study of oxidation state and vacancy effects","Journal of Materials Chemistry A","2014","2","33","13723","","10.1039/C4TA02449D","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7221117","2.75","","2.75","","3.38","","90","","90","","90","","25.561","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","(Ga0.36 Ni0.64)","","- Ga0.36 Ni0.64 -","- Ga0.36 Ni0.64 -","- Ga0.72 Ni1.28 -","2","0.0625","","Hellner, E.; Laves, F.","Kristallchemie des In und Ga in Legierungen mit einigen Uebergangselementen (Ni, Pd, Pt, Cu, Ag und Au)","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1947","2","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","141444","2020-10-21","18:00:00",""
"7221118","4.05","","4.05","","4.89","","90","","90","","120","","69.462","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ga3 Ni2 -","- Ga3 Ni2 -","- Ga3 Ni2 -","1","0.0833333","","Hellner, E.; Laves, F.","Kristallchemie des In und Ga in Legierungen mit einigen Uebergangselementen (Ni, Pd, Pt, Cu, Ag und Au)","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1947","2","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221119","4.22","","4.22","","5.17","","90","","90","","120","","79.734","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ga3 Pt2 -","- Ga3 Pt2 -","- Ga3 Pt2 -","1","0.0833333","","Hellner, E.; Laves, F.","Kristallchemie des In und Ga in Legierungen mit einigen Uebergangselementen (Ni, Pd, Pt, Cu, Ag und Au)","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1947","2","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221174","5.132","","5.132","","5.132","","90","","90","","90","","135.164","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Rh Sn -","- Rh Sn -","- Rh4 Sn4 -","4","0.333333","","Schubert, K.","Untersuchungen im System Rh-Sn","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1947","2","","120","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221277","9.7405","","9.7405","","7.004","","90","","90","","120","","575.492","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ca10 (V O4)6 (O H)2","","- Ca10 H2 O26 V6 -","- Ca10 O26 V6 -","- Ca10 O26 V6 -","1","0.0833333","","Bauer Boechat, C.; Eon, J.G.; da Silva San Gil, R.A.; Malta Rossi, A.; de Castro Perez, C.A.","Structure of vanadate in calcium phosphate and vanadate apatite solid solutions","Physical Chemistry Chemical Physics","2000","2","","4225","4230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222448","8.38","","8.38","","8.38","","90","","90","","90","","588.48","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K2 Sb.49 Te.27","","- K2 Sb0.49 Te0.27 -","- K2 Sb0.49 Te0.27 -","- K8 Sb1.96 Te1.08 -","4","0.0208333","","Brauer, G.; Stein, V.","Untersuchungen an Kalium-Antimon-Tellur-Verbindungen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1947","2","","323","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","160876","2020-10-21","18:00:00",""
"7222870","4.39","","4.39","","5.2","","90","","90","","120","","86.789","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- In3 Ni2 -","- In3 Ni2 -","- In3 Ni2 -","1","0.0833333","","Hellner, E.; Laves, F.","Kristallchemie des In und Ga in Legierungen mit einigen Uebergangselementen (Ni, Pd, Pt, Cu, Ag und Au)","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1947","2","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222871","4.54","","4.54","","4.34","","90","","90","","120","","77.47","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- In Ni -","- In Ni -","- In3 Ni3 -","3","0.125","","Hellner, E.; Laves, F.","Kristallchemie des In und Ga in Legierungen mit einigen Uebergangselementen (Ni, Pd, Pt, Cu, Ag und Au)","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1947","2","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222955","4.1231","","12.3641","","7.2071","","90","","90","","90","","367.407","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","(U O2) (V O3)","","- O5 U V -","- O5 U V -","- O20 U4 V4 -","4","0.5","","Dickens, P.G.; Stuttard, G.P.; Ball, R.G.J.; Hull, S.; Powell, A.V.; Patat, S.","Powder neutron diffraction study of the mixed uraniumvanadium oxides Cs2(UO2)2(V2O8) and UVO5","Journal of Materials Chemistry","1992","2","","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222956","10.521","","8.4369","","7.308","","90","","106.08","","90","","623.312","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cs2 (U O2)2 (V2 O8)","","- Cs2 O12 U2 V2 -","- Cs2 O12 U2 V2 -","- Cs4 O24 U4 V4 -","2","0.5","","Dickens, P.G.; Stuttard, G.P.; Ball, R.G.J.; Patat, S.; Hull, S.; Powell, A.V.","Powder neutron diffraction study of the mixed uraniumvanadium oxides Cs2(UO2)2(V2O8) and UVO5","Journal of Materials Chemistry","1992","2","","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223685","3.284","","3.284","","7.488","","90","","90","","90","","80.756","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Fe0.88 Sc C2","","- C2 Fe0.88 Sc -","- C2 Fe0.88 Sc -","- C4 Fe1.76 Sc2 -","2","0.125","","Poettgen, R.; Jeitschko, W.; Wortmann, U.; Danebrock, M.E.","Crystal structures and physical properties of the ternary carbides Sc T1-x C2 (T= Fe, Co, Ni)","Journal of Materials Chemistry","1992","2","","633","637","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7227041","9.366","0.001","9.882","0.001","19.183","0.002","85.406","0.005","85.029","0.005","114.485","0.005","1596.5","0.3","","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H34 N4 O25 P6 Zn5 -","- C12 N4 O25 P6 Zn5 -","- C24 N8 O50 P12 Zn10 -","2","1","","Harrison, William T. A.; Nenoff, Tina M.; Eddy, Michael, M.; Martin, Theresa E.; Stucky, Galen, D.","Organic templates in zincophosphates synthesis : Zn5(PO4)2(HPO4)4.H2O.2H2N2C6H12, containing two distinct eight-ring channels and Zn3(PO4)(HPO4)2.HN2C6H12, containing tetrahedral three-rings and Zn-N bonds","Journal of Materials Chemistry","1992","2","","1127","1134","10.1039/JM9920201127","","x-ray","0.71073","MoKα","","","0.0711","","","0.0755","","","","","","","","","","","has coordinates","188359","2020-10-21","18:00:00",""
"7227042","11.095","0.002","16.413","0.002","8.263","0.001","90","","90","","90","","1504.7","0.4","","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 N2 O12 P3 Zn3 -","- C6 N2 O12 P3 Zn3 -","- C24 N8 O48 P12 Zn12 -","4","1","","Harrison, William T. A.; Nenoff, Tina M.; Eddy, Michael, M.; Martin, Theresa E.; Stucky, Galen, D.","Organic templates in zincophosphates synthesis : Zn5(PO4)2(HPO4)4.H2O.2H2N2C6H12, containing two distinct eight-ring channels and Zn3(PO4)(HPO4)2.HN2C6H12, containing tetrahedral three-rings and Zn-N bonds","Journal of Materials Chemistry","1992","2","","1127","1134","10.1039/JM9920201127","","x-ray","0.71073","MoKα","","","0.0571","","","0.0589","","","","","","","","","","","has coordinates","189831","2020-10-21","18:00:00",""
"7227610","12.9695","0.0008","10.6898","0.0007","6.4932","0.0004","90","","90","","90","","900.23","0.1","","","293","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- As0.5 K O5 P0.5 Ti -","- As0.5 K O5 P0.5 Ti -","- As4 K8 O40 P4 Ti8 -","8","2","","Crennell, Susan J.; Cheetham, Anthony K; Jarman, Richard H.; Thrash, Robert J.; Kaduk, James A.","Isomorphous substitution in non-linear optical KTiOPO4: neutron powder diffraction study of KTiO(P0.5As0.5)O4","Journal of Materials Chemistry","1992","2","","383","386","10.1039/JM9920200383","powder diffraction","neutron","","ToF","","","","","","","","","","","","","","","","","has coordinates","191182","2020-10-21","18:00:00",""
"7227625","13.2382","0.0004","10.7083","0.0003","6.5581","0.0002","90","","90","","90","","929.67","0.05","","","293","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- K0.5 O5 P Rb0.5 Sn -","- K0.5 O5 P Rb0.5 Sn -","- K4 O40 P8 Rb4 Sn8 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.0666","","","","","","","","","has coordinates","191788","2020-10-21","18:00:00",""
"7227626","12.8826","0.0004","10.6384","0.0004","6.3898","0.0002","90","","90","","90","","875.72","0.05","","","293","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- K0.5 Na0.5 O5 P Sn0.5 Ti0.5 -","- K0.5 Na0.5 O5 P Sn0.5 Ti0.5 -","- K4 Na4 O40 P8 Sn4 Ti4 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.078","","","","","","","","","has coordinates","191789","2020-10-21","18:00:00",""
"7227627","13.1435","0.0005","10.6433","0.0003","6.5478","0.0003","90","","90","","90","","915.97","0.06","","","293","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- Na0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- Na0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- Na4 O40 P8 Rb4 Sn4 Ti4 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.1155","","","","","","","","","has coordinates","191790","2020-10-21","18:00:00",""
"7227628","13.044","0.0005","10.6304","0.0004","6.4961","0.0003","90","","90","","90","","900.77","0.06","","","293","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- K0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- K0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- K4 O40 P8 Rb4 Sn4 Ti4 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.0747","","","","","","","","","has coordinates","191791","2020-10-21","18:00:00",""
"7228672","7.703","0.0003","16.4656","0.0007","6.5861","0.0003","90","","92.411","0.002","90","","834.61","0.06","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N O2 S -","- C7 N O2 S -","- C28 N4 O8 S4 -","4","1","","Lightfoot, Philip; Tremayne, Maryjane; Glidewell, Christopher; Harris, Kenneth D. M.; Bruce, Peter G.","Investigation and rationalisation of hydrogen bonding patterns in sulfonylamino compounds and related materials: crystal structure determination of microcrystalline solids from powder X-ray diffraction data","Journal of the Chemical Society, Perkin Transactions","1993","2","","1626","1630","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","198628","2020-10-21","18:00:00",""
"7228673","8.0924","0.0002","8.6082","0.0002","11.7122","0.0004","90","","108.591","0.002","90","","773.31","0.04","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O2 S -","- C6 N2 O2 S -","- C24 N8 O8 S4 -","4","1","","Lightfoot, Philip; Tremayne, Maryjane; Glidewell, Christopher; Harris, Kenneth D. M.; Bruce, Peter G.","Investigation and rationalisation of hydrogen bonding patterns in sulfonylamino compounds and related materials: crystal structure determination of microcrystalline solids from powder X-ray diffraction data","Journal of the Chemical Society, Perkin Transactions","1993","2","","1626","1630","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","198629","2020-10-21","18:00:00",""
"7228674","18.6021","0.0006","5.6406","0.0002","8.5356","0.0003","90","","106.222","0.002","90","","859.96","0.05","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N2 O2 S -","- C7 N2 O2 S -","- C28 N8 O8 S4 -","4","1","","Lightfoot, Philip; Tremayne, Maryjane; Glidewell, Christopher; Harris, Kenneth D. M.; Bruce, Peter G.","Investigation and rationalisation of hydrogen bonding patterns in sulfonylamino compounds and related materials: crystal structure determination of microcrystalline solids from powder X-ray diffraction data","Journal of the Chemical Society, Perkin Transactions","1993","2","","1626","1630","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","198630","2020-10-21","18:00:00",""
"7229074","6.7101","0.0003","7.3152","0.0003","7.1746","0.0003","90","","112.372","0.002","90","","325.66","0.02","","","4","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- D2 Mn O5 P -","- D2 Mn O5 P -","- D8 Mn4 O20 P4 -","4","0.5","","Miguel A. G. Aranda; J. Paul Attfield; Sebastian Bruque; Fernando Palacio","Magnetic structures of MnPO4.D2O and MnAsO4.D2O from time-of-flight neutron powder diffraction data","Journal of Materials Chemistry","1992","2","","501","505","10.1039/JM9920200501","powder diffraction","neutron","","time-of-flight","","","","","","","","","","","","","","","","","has coordinates","200211","2020-10-21","18:00:00",""
"7229075","6.8707","0.0003","7.6958","0.0003","7.3121","0.0003","90","","112.221","0.002","90","","357.92","0.03","","","4","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As D2 Mn O5 -","- As D2 Mn O5 -","- As4 D8 Mn4 O20 -","4","0.5","","Miguel A. G. Aranda; J. Paul Attfield; Sebastian Bruque; Fernando Palacio","Magnetic structures of MnPO4.D2O and MnAsO4.D2O from time-of-flight neutron powder diffraction data","Journal of Materials Chemistry","1992","2","","501","505","10.1039/JM9920200501","powder diffraction","neutron","","time-of-flight","","","","","","","","","","","","","","","","","has coordinates","200212","2020-10-21","18:00:00",""
"7229154","10.05","0.002","7.4652","0.0015","7.4871","0.0015","90","","105.83","0.03","90","","540.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Co1.5 F2 H5 N O4 P -","- Co1.5 F2 H5 N O4 P -","- Co6 F8 H20 N4 O16 P4 -","4","1","","Guangmei Wang; Martin Valldor; Bert Mallick; Anja-Verena Mudring","Ionothermal synthesis of open-framework metal phosphates with a Kagome lattice network exhibiting canted anti-ferromagnetism","Journal of Materials Chemistry C","2014","2","","7417","7427","10.1039/C4TC00290C","","","0.71073","MoKα","","0.0318","0.0278","","","0.0715","0.0731","","","","","","1.045","","","","has coordinates","200833","2020-10-21","18:00:00",""
"7229155","19.917","0.004","7.5116","0.0015","7.5942","0.0015","90","","102.76","0.03","90","","1108.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Co12 F8 H32 N4 O48 P12 -","- Co12 F8 H32 N4 O48 P12 -","- Co12 F8 H32 N4 O48 P12 -","1","0.125","","Guangmei Wang; Martin Valldor; Bert Mallick; Anja-Verena Mudring","Ionothermal synthesis of open-framework metal phosphates with a Kagome lattice network exhibiting canted anti-ferromagnetism","Journal of Materials Chemistry C","2014","2","","7417","7427","10.1039/C4TC00290C","","","0.71073","MoKα","","0.046","0.0333","","","0.0796","0.0826","","","","","","0.944","","","","has coordinates","200834","2020-10-21","18:00:00",""
"7229156","19.773","0.004","7.4649","0.0015","7.5566","0.0015","90","","102.51","0.03","90","","1088.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Co1.5 F H2 K0.5 O6 P1.5 -","- Co1.5 F H2 K0.5 O6 P1.5 -","- Co12 F8 H16 K4 O48 P12 -","8","1","","Guangmei Wang; Martin Valldor; Bert Mallick; Anja-Verena Mudring","Ionothermal synthesis of open-framework metal phosphates with a Kagome lattice network exhibiting canted anti-ferromagnetism","Journal of Materials Chemistry C","2014","2","","7417","7427","10.1039/C4TC00290C","","","0.71073","MoKα","","0.0375","0.035","","","0.0966","0.098","","","","","","1.143","","","","has coordinates","200835","2020-10-21","18:00:00",""
"7229157","20.003","0.004","7.4692","0.0015","7.6879","0.0015","90","","102.72","0.03","90","","1120.4","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F Fe1.5 H2 K0.5 O6 P1.5 -","- F Fe1.5 H2 K0.5 O6 P1.5 -","- F8 Fe12 H16 K4 O48 P12 -","8","1","","Guangmei Wang; Martin Valldor; Bert Mallick; Anja-Verena Mudring","Ionothermal synthesis of open-framework metal phosphates with a Kagome lattice network exhibiting canted anti-ferromagnetism","Journal of Materials Chemistry C","2014","2","","7417","7427","10.1039/C4TC00290C","","","0.71073","MoKα","","0.0352","0.0251","","","0.0601","0.0615","","","","","","1.026","","","","has coordinates","200836","2020-10-21","18:00:00",""
"7233579","7.985","0.005","11.898","0.007","20.22","0.011","73.605","0.012","78.698","0.012","74.512","0.012","1760.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H55 N3 S2 Si2 -","- C30 H55 N3 S2 Si2 -","- C60 H110 N6 S4 Si4 -","2","1","","Yulia A. Getmanenko; Sanjeev Singh; Bhupinder Sandhu; Cheng-Yin Wang; Tatiana Timofeeva; Bernard Kippelen; Seth R. Marder","Pyrrole[3,2-d:4,5-d']bisthiazole-bridged bis(naphthalene diimide)s as electron-transport materials","Journal of Materials Chemistry C","2014","2","","124","131","10.1039/C3TC31677G","","","0.71073","MoKα","","0.0792","0.0463","","","0.111","0.1236","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233580","8.3182","0.0006","19.0237","0.0012","10.5572","0.0007","90","","108.03","0.001","90","","1588.57","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br2 N3 S2 -","- C12 H13 Br2 N3 S2 -","- C48 H52 Br8 N12 S8 -","4","1","","Yulia A. Getmanenko; Sanjeev Singh; Bhupinder Sandhu; Cheng-Yin Wang; Tatiana Timofeeva; Bernard Kippelen; Seth R. Marder","Pyrrole[3,2-d:4,5-d']bisthiazole-bridged bis(naphthalene diimide)s as electron-transport materials","Journal of Materials Chemistry C","2014","2","","124","131","10.1039/C3TC31677G","","","0.71073","MoKα","","0.0374","0.0261","","","0.0643","0.0675","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233581","26.376","0.002","16.0586","0.0013","24.243","0.002","90","","101.223","0.002","90","","10072","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C66 H44 I8 S44 -","- C66 H44 I8 S44 -","- C264 H176 I32 S176 -","4","1","","Victor Lebedev; Elena Laukhina; Evelyn Moreno-Calvo; Concepcio Rovira; Vladimir Laukhin; Ivan Ivanov; Sergei M. Dolotov; Valery F. Traven; Vladimir V. Chernyshev; Jaume Veciana","A new (TTF)11I8 organic molecular conductor: from single crystals to flexible all-organic piezoresistive films","Journal of Materials Chemistry C","2014","2","","139","146","10.1039/C3TC31513D","","","0.71073","MoKα","","0.1487","0.0406","","","0.0878","0.131","","","","","","0.918","","","","has coordinates","217869","2020-10-21","18:00:00",""
"7233582","6.2934","0.0004","11.9839","0.0008","32.646","0.002","90","","90","","90","","2462.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0345","0.0285","","","0.054","0.0558","","","","","","1.008","","","","has coordinates","217871","2020-10-21","18:00:00",""
"7233583","6.0349","0.0004","15.7571","0.0011","25.3332","0.0018","90","","90","","90","","2409","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0248","0.0213","","","0.0425","0.0435","","","","","","0.99","","","","has coordinates","217872","2020-10-21","18:00:00",""
"7233584","6.2882","0.0015","11.994","0.003","32.734","0.008","90","","90","","90","","2468.8","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0902","0.0731","","","0.1559","0.1629","","","","","","1.068","","","","has coordinates","217873","2020-10-21","18:00:00",""
"7233585","6.018","0.003","15.716","0.008","25.26","0.012","90","","90","","90","","2389","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0825","0.0575","","","0.1148","0.1203","","","","","","1.004","","","","has coordinates","217874","2020-10-21","18:00:00",""
"7233586","16.74","0.005","12.432","0.005","9.236","0.003","90","","90","","90","","1922.1","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Yujian Zhang; Jingwei Sun; Guilin Zhuang; Mi Ouyang; Zhenwei Yu; Feng Cao; Guoxiang Pan; Peisong Tang; Cheng Zhang; Yuguang Ma","Heating and mechanical force-induced luminescence on–off switching of arylamine derivatives with highly distorted structures","Journal of Materials Chemistry C","2014","2","","195","200","10.1039/C3TC31416B","","","0.71073","MoKα","","0.0669","0.0384","","","0.0799","0.091","","","","","","0.996","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233587","5.911","0.003","11.088","0.006","11.978","0.007","64.751","0.009","85.929","0.01","83.362","0.01","705.1","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","5,5Bis(5nheptylpyridin-2-yl)2,2-bithiophene","","","- C32 H40 N2 S2 -","- C32 H40 N2 S2 -","- C32 H40 N2 S2 -","1","0.5","","Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg","5,5'-Bis-(alkylpyridinyl)-2,2'-bithiophenes: synthesis, liquid crystalline behaviour and charge transport","Journal of Materials Chemistry C","2014","2","","256","271","10.1039/C3TC31522C","","","0.71073","MoKα","","0.087","0.0565","","","0.1379","0.1626","","","","","","0.904","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233588","5.6","0.0011","11.4","0.002","11.92","0.002","75.6","0.03","87.4","0.03","76.2","0.03","715.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","5,5Bis(5nonylpyridin-2-yl)2,2-bithiophene","","","- C34 H44 N2 S2 -","- C34 H44 N2 S2 -","- C34 H44 N2 S2 -","1","0.5","","Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg","5,5'-Bis-(alkylpyridinyl)-2,2'-bithiophenes: synthesis, liquid crystalline behaviour and charge transport","Journal of Materials Chemistry C","2014","2","","256","271","10.1039/C3TC31522C","","","0.71073","MoKα","","0.0897","0.0592","","","0.1417","0.1644","","","","","","0.863","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233589","6.073","0.004","11.566","0.007","12.264","0.007","95.841","0.011","91.877","0.01","100.404","0.011","841.7","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","5,5Bis(5ndecylpyridin-2-yl)2,2-bithiophene","","","- C38 H52 N2 S2 -","- C38 H52 N2 S2 -","- C38 H52 N2 S2 -","1","0.5","","Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg","5,5'-Bis-(alkylpyridinyl)-2,2'-bithiophenes: synthesis, liquid crystalline behaviour and charge transport","Journal of Materials Chemistry C","2014","2","","256","271","10.1039/C3TC31522C","","","0.71073","MoKα","","0.1105","0.0624","","","0.154","0.181","","","","","","0.906","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233590","5.661","0.006","11.898","0.012","28.47","0.03","98.44","0.015","91.421","0.016","103.379","0.015","1842","3","160","2","160","2","","","","","","","","4","P -1","-P 1","2","5,5Bis(5ndodecylpyridin-2-yl)2,2-bithiophene","","","- C42 H60 N2 S2 -","- C42 H60 N2 S2 -","- C84 H120 N4 S4 -","2","1","","Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg","5,5'-Bis-(alkylpyridinyl)-2,2'-bithiophenes: synthesis, liquid crystalline behaviour and charge transport","Journal of Materials Chemistry C","2014","2","","256","271","10.1039/C3TC31522C","","","0.71073","MoKα","","0.2106","0.0737","","","0.1556","0.2262","","","","","","0.848","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233591","27.239","0.003","26.022","0.003","15.3824","0.0015","90","","101.558","0.006","90","","10682","2","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 Cl2 N4 Zn -","- C60 H68 Cl2 N4 Zn -","- C480 H544 Cl16 N32 Zn8 -","8","1","","Paul Savel; Huriye Akdas-Kilig; Jean-Pierre Malval; Arnaud Spangenberg; Thierry Roisnel; Jean-Luc Fillaut","Metal-induced dimensionality tuning in a series of bipyrimidine-based ligands: a tool to enhance two-photon absorption","Journal of Materials Chemistry C","2014","2","","295","305","10.1039/C3TC31370K","","x-ray","0.71073","MoKα","","0.2031","0.1049","","","0.3045","0.354","","","","","","1.005","","","","has coordinates,has disorder","217881","2020-10-21","18:00:00",""
"7233595","6.7867","0.0014","3.5336","0.0007","22.719","0.004","90","","90.69","0.03","90","","544.8","0.18","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","AgTCNQCl2","","","- C12 H2 Ag Cl2 N4 -","- C12 H2 Ag Cl2 N4 -","- C24 H4 Ag2 Cl4 N8 -","2","0.5","","Zhongyue Zhang; Hanhua Zhao; Michio M. Matsushita; Kunio Awaga; Kim R. Dunbar","A new metal-organic hybrid material with intrinsic resistance-based bistability: monitoring in situ room temperature switching behavior","Journal of Materials Chemistry C","2014","2","","399","404","10.1039/C3TC31577K","","","0.41328","Synchrotron","","0.042","0.0392","","","0.0906","0.0914","","","","","","1.396","","","","has coordinates","217902","2020-10-21","18:00:00",""
"7233596","7.254","0.0015","7.79","0.0016","11.64","0.002","84.02","0.03","74.69","0.03","65.01","0.03","575","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","AgTCNQBr2","","","- C12 H2 Ag Br2 N4 -","- C12 H2 Ag Br2 N4 -","- C24 H4 Ag2 Br4 N8 -","2","1","","Zhongyue Zhang; Hanhua Zhao; Michio M. Matsushita; Kunio Awaga; Kim R. Dunbar","A new metal-organic hybrid material with intrinsic resistance-based bistability: monitoring in situ room temperature switching behavior","Journal of Materials Chemistry C","2014","2","","399","404","10.1039/C3TC31577K","","","0.41328","","","0.1105","0.0643","","","0.1502","0.1784","","","","","","1.024","","","","has coordinates","217903","2020-10-21","18:00:00",""
"7233597","12.5196","0.0003","16.0199","0.0005","17.2926","0.0004","99.607","0.002","101.025","0.002","106.326","0.002","3176.08","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 F4 Ir N5 -","- C34 H20 F4 Ir N5 -","- C136 H80 F16 Ir4 N20 -","4","2","","K. S. Bejoymohandas; T. M. George; S. Bhattacharya; S. Natarajan; M. L. P. Reddy","AIPE-active green phosphorescent iridium(III) complex impregnated test strips for the vapor-phase detection of 2,4,6-trinitrotoluene (TNT)","Journal of Materials Chemistry C","2014","2","","515","523","10.1039/C3TC31941E","","","0.71073","MoKα","","0.0524","0.0361","","","0.079","0.0871","","","","","","1","","","","has coordinates","217904","2020-10-21","18:00:00",""
"7233598","19.5994","0.0006","7.7561","0.0002","32.5648","0.0009","90","","95.614","0.003","90","","4926.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-Isopropylbenzylammonium Tetrafluoroborate","","","- C10 H16 B F4 N -","- C10 H16 B F4 N -","- C160 H256 B16 F64 N16 -","16","2","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Junhua Luo","N-Isopropylbenzylammonium tetrafluoroborate: an organic dielectric relaxor with a tunable transition between high and low dielectric states","Journal of Materials Chemistry C","2014","2","","567","572","10.1039/C3TC31378F","","","0.71073","MoKα","","0.0964","0.08","","","0.2094","0.2236","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233599","18.493","0.004","7.7954","0.0016","10.016","0.002","90","","119.35","0.03","90","","1258.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","N-Isopropylbenzylammonium Tetrafluoroborate","","","- C10 H18 B F4 N -","- C10 H18 B F4 N -","- C40 H72 B4 F16 N4 -","4","0.5","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Junhua Luo","N-Isopropylbenzylammonium tetrafluoroborate: an organic dielectric relaxor with a tunable transition between high and low dielectric states","Journal of Materials Chemistry C","2014","2","","567","572","10.1039/C3TC31378F","","","0.71073","MoKα","","0.1423","0.0939","","","0.3018","0.3572","","","","","","1.064","","","","has coordinates","217906","2020-10-21","18:00:00",""
"7233600","6.4991","0.0006","6.5059","0.0006","11.3175","0.0011","88.458","0.006","86.019","0.005","61.351","0.005","418.92","0.07","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- B10 H6 O22 Sr4 -","- B10 H6 O22 Sr4 -","- B10 H6 O22 Sr4 -","1","1","","Fangyuan Zhang; Qun Jing; Fangfang Zhang; Shilie Pan; Zhihua Yang; Jian Han; Min Zhang; Shujuan Han","Sr4B10O18(OH)2.2H2O: a new UV nonlinear optical material with a [B10O23]16- building block","Journal of Materials Chemistry C","2014","2","","667","674","10.1039/C3TC31420K","","","0.71073","MoKα","","0.0324","0.0288","","","0.0587","0.0597","","","","","","1.018","","","","has coordinates","217908","2020-10-21","18:00:00",""
"7233601","8.5286","0.0001","8.5521","0.0002","28.2714","0.0007","90","","90","","90","","2062.04","0.07","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cd Hg N4 O2 S6 -","- C8 H12 Cd Hg N4 O2 S6 -","- C32 H48 Cd4 Hg4 N16 O8 S24 -","4","1","","Xitao Liu; Xinqiang Wang; Xin Yin; Shaojun Zhang; Lei Wang; Luyi Zhu; Guanghui Zhang; Dong Xu","Characterization and strong piezoelectric response of an organometallic nonlinear optical crystal: CdHg(SCN)4(C2H6SO)2","Journal of Materials Chemistry C","2014","2","","723","730","10.1039/C3TC31433B","","","0.71073","MoKα","","0.0563","0.0305","","","0.0495","0.0553","","","","","","0.876","","","","has coordinates","217909","2020-10-21","18:00:00",""
"7233602","10.173","0.002","8.9148","0.0018","14.751","0.003","90","","95.17","0.03","90","","1332.3","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 S2 -","- C38 H24 S2 -","- C76 H48 S4 -","2","0.5","","Xiaotao Zhang; Jakob K. Sorensen; Xiaolong Fu; Yonggang Zhen; Guangyao Zhao; Lang Jiang; Huanli Dong; Jie Liu; Zhigang Shuai; Hua Geng; Thomas Bjornholm; Wenping Hu","Rubrene analogues with the aggregation-induced emission enhancement behaviour","Journal of Materials Chemistry C","2014","2","","884","890","10.1039/C3TC31794C","","","0.71073","MoKα","","0.0712","0.0649","","","0.1292","0.1326","","","","","","1.173","","","","has coordinates,has disorder","217910","2020-10-21","18:00:00",""
"7233603","11.401","0.002","8.9944","0.0018","13.989","0.003","90","","113.59","0.03","90","","1314.6","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H20 S4 -","- C34 H20 S4 -","- C68 H40 S8 -","2","1","","Xiaotao Zhang; Jakob K. Sorensen; Xiaolong Fu; Yonggang Zhen; Guangyao Zhao; Lang Jiang; Huanli Dong; Jie Liu; Zhigang Shuai; Hua Geng; Thomas Bjornholm; Wenping Hu","Rubrene analogues with the aggregation-induced emission enhancement behaviour","Journal of Materials Chemistry C","2014","2","","884","890","10.1039/C3TC31794C","","","0.71073","MoKα","","0.0449","0.043","","","0.1025","0.1041","","","","","","1.045","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233604","12.6635","0.0013","21.772","0.002","12.6541","0.0012","90","","117.068","0.002","90","","3106.7","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N2 -","- C42 H34 N2 -","- C168 H136 N8 -","4","1","","Yang Liu; Xin Ye; Guangfeng Liu; Yun Lv; Xiying Zhang; Shuming Chen; Jacky W. Y. Lam; Hoi Sing Kwok; Xutang Tao; Ben Zhong Tang","Structural features and optical properties of a carbazole-containing ethene as a highly emissive organic solid","Journal of Materials Chemistry C","2014","2","","1004","1009","10.1039/C3TC32145B","","","0.71073","MoKα","","0.1095","0.0537","","","0.111","0.1313","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233605","9.3685","0.0004","12.2751","0.0006","14.8984","0.0007","79.556","0.001","74.457","0.001","80.621","0.001","1611.43","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Cl3 F2 N2 -","- C38 H27 Cl3 F2 N2 -","- C76 H54 Cl6 F4 N4 -","2","1","","Yiwu Liu; Yi Zhang; Xinhui Wu; Qi Lan; Chuansen Chen; Siwei Liu; Zhenguo Chi; Long Jiang; Xudong Chen; Jiarui Xu","Deep-blue luminescent compound that emits efficiently both in solution and solid state with considerable blue-shift upon aggregation","Journal of Materials Chemistry C","2014","2","","1068","1075","10.1039/C3TC31825G","","","0.71073","MoKα","","0.069","0.0536","","","0.1495","0.1664","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233606","17.493","0.004","15.092","0.003","23.745","0.005","90","","97.06","0.03","90","","6221","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 O27 Zn4 -","- C50 H32 O27 Zn4 -","- C100 H64 O54 Zn8 -","2","0.5","","Ming-Li Ma; Jian-Hua Qin; Can Ji; Hong Xu; Rui Wang; Bao-Jun Li; Shuang-Quan Zang; Hong-Wei Hou; Stuart R. Batten","Anionic porous metal-organic framework with novel 5-connected vbk topology for rapid adsorption of dyes and tunable white light emission","Journal of Materials Chemistry C","2014","2","","1085","1093","10.1039/C3TC32001D","","","0.71073","MoKα","","0.1151","0.0962","","","0.3157","0.349","","","","","","1.449","","","","has coordinates","217914","2020-10-21","18:00:00",""
"7233607","12.9055","0.0005","15.0122","0.0005","20.3242","0.0007","92.209","0.001","108.391","0.001","110.069","0.001","3461.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H23 F6 Ir N4 O2 -","- C38 H23 F6 Ir N4 O2 -","- C152 H92 F24 Ir4 N16 O8 -","4","2","","Hong-Yan Li; Tian-Yi Li; Ming-Yu Teng; Qiu-Lei Xu; Song Zhang; Yi-Ming Jin; Xuan Liu; You-Xuan Zheng; Jing-Lin Zuo","Syntheses, photoluminescence and electroluminescence of four heteroleptic iridium complexes with 2-(5-phenyl-1,3,4-oxadiazol-2-yl)-phenol derivatives as ancillary ligands","Journal of Materials Chemistry C","2014","2","","1116","1124","10.1039/C3TC31915F","","","0.71073","MoKα","","0.0686","0.0484","","","0.1128","0.1179","","","","","","0.889","","","","has coordinates,has disorder","217915","2020-10-21","18:00:00",""
"7233608","21.344","0.009","15.541","0.007","11.071","0.005","90","","76.233","0.006","90","","3567","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H19 F10 Ir N4 O2 -","- C38 H19 F10 Ir N4 O2 -","- C152 H76 F40 Ir4 N16 O8 -","4","1","","Hong-Yan Li; Tian-Yi Li; Ming-Yu Teng; Qiu-Lei Xu; Song Zhang; Yi-Ming Jin; Xuan Liu; You-Xuan Zheng; Jing-Lin Zuo","Syntheses, photoluminescence and electroluminescence of four heteroleptic iridium complexes with 2-(5-phenyl-1,3,4-oxadiazol-2-yl)-phenol derivatives as ancillary ligands","Journal of Materials Chemistry C","2014","2","","1116","1124","10.1039/C3TC31915F","","","0.71073","MoKα","","0.0972","0.0666","","","0.1676","0.204","","","","","","1.197","","","","has coordinates,has disorder","217916","2020-10-21","18:00:00",""
"7233609","11.0803","0.0005","11.7675","0.0004","14.7797","0.0007","90","","104.152","0.004","90","","1868.6","0.14","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl La4 O8 P -","- Cl La4 O8 P -","- Cl8 La32 O64 P8 -","8","2","","Hamdi Ben Yahia; Ute Ch. Rodewald; Claus Feldmann; Marcus Roming; Francois Weill; Rainer Pottgen","X-Ray diffraction and SAED characterisations of RE4O4[PO4]Cl (RE = La, Pr, and Nd) and photoluminescence properties of Eu3±doped La4O4[PO4]Cl","Journal of Materials Chemistry C","2014","2","","1131","1140","10.1039/C3TC31466A","","x-ray","0.71069","MoKα","","0.0376","0.0376","","","0.0814","0.0814","","","","1.17","1.17","1.17","","","","has coordinates","217917","2020-10-21","18:00:00",""
"7233610","5.7875","0.0004","5.7875","0.0004","13.0685","0.0012","90","","90","","90","","437.73","0.06","293","1","293","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- Cl Nd4 O8 P -","- Cl Nd4 O8 P -","- Cl2 Nd8 O16 P2 -","2","0.125","","Hamdi Ben Yahia; Ute Ch. Rodewald; Claus Feldmann; Marcus Roming; Francois Weill; Rainer Pottgen","X-Ray diffraction and SAED characterisations of RE4O4[PO4]Cl (RE = La, Pr, and Nd) and photoluminescence properties of Eu3±doped La4O4[PO4]Cl","Journal of Materials Chemistry C","2014","2","","1131","1140","10.1039/C3TC31466A","","","0.71073","MoKα","","0.0375","0.0189","","","0.045","0.0468","","","","1","1","0.86","","","","has coordinates","217918","2020-10-21","18:00:00",""
"7233611","5.8211","0.0003","5.8211","0.0003","13.1523","0.001","90","","90","","90","","445.67","0.05","293","","293","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- Cl O8 P Pr4 -","- Cl O8 P Pr4 -","- Cl2 O16 P2 Pr8 -","2","0.125","","Hamdi Ben Yahia; Ute Ch. Rodewald; Claus Feldmann; Marcus Roming; Francois Weill; Rainer Pottgen","X-Ray diffraction and SAED characterisations of RE4O4[PO4]Cl (RE = La, Pr, and Nd) and photoluminescence properties of Eu3±doped La4O4[PO4]Cl","Journal of Materials Chemistry C","2014","2","","1131","1140","10.1039/C3TC31466A","","","0.71069","MoKα","","0.0455","0.0213","","","0.0393","0.0449","","","","0.87","0.87","0.82","","","","has coordinates","217919","2020-10-21","18:00:00",""
"7233612","13.1523","0.001","5.8211","0.0003","5.8211","0.0003","90","","90","","90","","445.67","0.05","293","","293","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Cl O8 P Pr4 -","- Cl O8 P Pr4 -","- Cl2 O16 P2 Pr8 -","2","0.5","","Hamdi Ben Yahia; Ute Ch. Rodewald; Claus Feldmann; Marcus Roming; Francois Weill; Rainer Pottgen","X-Ray diffraction and SAED characterisations of RE4O4[PO4]Cl (RE = La, Pr, and Nd) and photoluminescence properties of Eu3±doped La4O4[PO4]Cl","Journal of Materials Chemistry C","2014","2","","1131","1140","10.1039/C3TC31466A","","x-ray","0.71069","MoKα","","0.0268","0.0268","","","0.0605","0.0605","","","","1.03","1.03","1.03","","","","has coordinates","217920","2020-10-21","18:00:00",""
"7233615","11.408","0.002","19.62","0.004","11.72","0.002","90","","106.43","0.03","90","","2516.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cl6 N4 O2 S4 -","- C48 H50 Cl6 N4 O2 S4 -","- C96 H100 Cl12 N8 O4 S8 -","2","0.5","","Jianguo Wang; Xin Chen; Guanxin Zhang; Zitong Liu; Deqing Zhang","Conjugated electron donor-acceptor molecules with (E)-[4,4'-biimidazolylidene]-5,5'(1H,1'H)-dione for new organic semiconductors","Journal of Materials Chemistry C","2014","2","","1149","1157","10.1039/C3TC31741B","","","0.71073","MoKα","","0.1088","0.0969","","","0.2495","0.2682","","","","","","1.202","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233616","33.232","0.013","10.346","0.004","27.852","0.011","90","","106.872","0.007","90","","9164","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Eu N0 O8 S2 -","- C31 H27 Eu O8 S2 -","- C248 H216 Eu8 O64 S16 -","8","1","","Huabin Zhang; Xiaochen Shan; Zuju Ma; Liujiang Zhou; Mingjian Zhang; Ping Lin; Shengmin Hu; En Ma; Renfu Li; Shaowu Du","A highly luminescent chameleon: fine-tuned emission trajectory and controllable energy transfer","Journal of Materials Chemistry C","2014","2","","1367","1371","10.1039/C3TC31624F","","","0.71073","MoKα","","0.0969","0.0853","","","0.1836","0.1893","","","","","","1.215","","","","has coordinates,has disorder","217941","2020-10-21","18:00:00",""
"7233617","33.226","0.007","10.372","0.002","27.776","0.006","90","","107.061","0.004","90","","9151","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Gd N0 O8 S2 -","- C31 H27 Gd O8 S2 -","- C248 H216 Gd8 O64 S16 -","8","1","","Huabin Zhang; Xiaochen Shan; Zuju Ma; Liujiang Zhou; Mingjian Zhang; Ping Lin; Shengmin Hu; En Ma; Renfu Li; Shaowu Du","A highly luminescent chameleon: fine-tuned emission trajectory and controllable energy transfer","Journal of Materials Chemistry C","2014","2","","1367","1371","10.1039/C3TC31624F","","","0.71073","MoKα","","0.0466","0.0398","","","0.0851","0.0878","","","","","","1.092","","","","has coordinates,has disorder","217942","2020-10-21","18:00:00",""
"7233618","33.182","0.009","10.296","0.002","27.814","0.006","90","","107.238","0.004","90","","9076","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 N0 O8 S2 Tb -","- C31 H27 O8 S2 Tb -","- C248 H216 O64 S16 Tb8 -","8","1","","Huabin Zhang; Xiaochen Shan; Zuju Ma; Liujiang Zhou; Mingjian Zhang; Ping Lin; Shengmin Hu; En Ma; Renfu Li; Shaowu Du","A highly luminescent chameleon: fine-tuned emission trajectory and controllable energy transfer","Journal of Materials Chemistry C","2014","2","","1367","1371","10.1039/C3TC31624F","","","0.71073","MoKα","","0.0495","0.0433","","","0.0912","0.0939","","","","","","1.063","","","","has coordinates,has disorder","217943","2020-10-21","18:00:00",""
"7233631","14.7001","0.0001","23.6787","0.0002","20.2012","0.0002","90","","102.175","0.001","90","","6873.46","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H168 Cl4 N8 O28 Yb4 -","- C120 H168 Cl4 N8 O28 Yb4 -","- C240 H336 Cl8 N16 O56 Yb8 -","2","0.5","","Weixu Feng; Yao Zhang; Zhao Zhang; Peiyang Su; Xingqiang Lu; Jirong Song; Daidi Fan; Wai-Kwok Wong; Richard A. Jones; Chengyong Su","Near-infrared (NIR) luminescent metallopolymers based on Ln4(Salen)4 nanoclusters (Ln = Nd or Yb)","Journal of Materials Chemistry C","2014","2","","1489","1499","10.1039/C3TC31814A","","","1.54178","CuKα","","0.0558","0.0514","","","0.1394","0.1438","","","","","","1.069","","","","has coordinates","217960","2020-10-21","18:00:00",""
"7233632","16.176","0.004","17.079","0.004","35.499","0.008","90","","100.157","0.005","90","","9654","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H98 Mo8 N10 O30 -","- C84 H98 Mo8 N10 O30 -","- C336 H392 Mo32 N40 O120 -","4","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.1365","0.0901","","","0.2299","0.2512","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233633","11.5703","0.0004","11.8955","0.0004","18.1788","0.0006","71.98","0.002","84.391","0.002","88.141","0.001","2367.9","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H106 Mo8 N10 O32 -","- C86 H106 Mo8 N10 O32 -","- C86 H106 Mo8 N10 O32 -","1","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.094","0.0415","","","0.0702","0.0841","","","","","","0.995","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233634","11.547","0.004","12.049","0.004","18.237","0.006","108.644","0.007","96.689","0.008","90.338","0.007","2385.3","1.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H104 Mo8 N8 O32 S2 -","- C84 H92 Mo8 N8 O32 S2 -","- C84 H92 Mo8 N8 O32 S2 -","1","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.1266","0.0656","","","0.1636","0.1991","","","","","","0.994","","","","has coordinates","217963","2020-10-21","18:00:00",""
"7233635","11.157","0.004","11.733","0.004","22.906","0.008","90","","90","","90","","2998.5","1.8","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C6 H32 Fe Mo6 N3 O25 -","- C6 H19 Fe Mo6 N3 O25 -","- C24 H76 Fe4 Mo24 N12 O100 -","4","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.1494","0.0752","","","0.1581","0.1915","","","","","","1.025","","","","has coordinates","217964","2020-10-21","18:00:00",""
"7233636","7.8567","0.0005","13.9952","0.0009","14.8673","0.001","107.733","0.004","91.033","0.004","104.028","0.003","1503.16","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H69 Al Mo6 N4 O30 -","- C44 H56 Al Mo6 N4 O30 -","- C44 H56 Al Mo6 N4 O30 -","1","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.0662","0.0471","","","0.1363","0.1527","","","","","","1.109","","","","has coordinates,has disorder","217965","2020-10-21","18:00:00",""
"7233637","10.438","0.002","15.074","0.003","16.129","0.003","90","","104.513","0.004","90","","2456.8","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H47.5 Mo6 N4.5 O21 -","- C41 H44 Mo6 N4.5 O21 -","- C82 H88 Mo12 N9 O42 -","2","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.0614","0.0344","","","0.078","0.0926","","","","","","1.062","","","","has coordinates","217966","2020-10-21","18:00:00",""
"7233638","8.97022","0.00017","15.2256","0.0004","23.7904","0.0007","74.036","0.002","88.6555","0.0019","82.0711","0.0019","3093.69","0.14","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H44 Ir2 N8 Nd O10 -","- C68 H44 Ir2 N8 Nd O10 -","- C136 H88 Ir4 N16 Nd2 O20 -","2","1","","Lina Li; Shuquan Zhang; Liangjin Xu; Zhong-Nin Chen; Junhua Luo","Highly sensitized near-infrared luminescence in Ir-Ln heteronuclear coordination polymers via light-harvesting antenna of Ir(III) unit","Journal of Materials Chemistry C","2014","2","","1698","1703","10.1039/C3TC31822B","","","1.54184","CuKα","","0.0418","0.0364","","","0.1102","0.1161","","","","","","1.008","","","","has coordinates","217967","2020-10-21","18:00:00",""
"7233639","9.00246","0.00019","15.2262","0.0003","23.4324","0.0005","73.838","0.0018","89.0785","0.0017","83.0742","0.0016","3061.99","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H44 Er Ir2 N8 O10 -","- C68 H44 Er Ir2 N8 O10 -","- C136 H88 Er2 Ir4 N16 O20 -","2","1","","Lina Li; Shuquan Zhang; Liangjin Xu; Zhong-Nin Chen; Junhua Luo","Highly sensitized near-infrared luminescence in Ir-Ln heteronuclear coordination polymers via light-harvesting antenna of Ir(III) unit","Journal of Materials Chemistry C","2014","2","","1698","1703","10.1039/C3TC31822B","","","1.54184","CuKα","","0.0482","0.0419","","","0.1072","0.1136","","","","","","1.007","","","","has coordinates","217968","2020-10-21","18:00:00",""
"7233640","8.9631","0.0003","15.2186","0.0005","23.6351","0.0008","73.861","0.003","88.732","0.003","82.398","0.003","3069.33","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H44 Gd Ir2 N8 O10 -","- C68 H44 Gd Ir2 N8 O10 -","- C136 H88 Gd2 Ir4 N16 O20 -","2","1","","Lina Li; Shuquan Zhang; Liangjin Xu; Zhong-Nin Chen; Junhua Luo","Highly sensitized near-infrared luminescence in Ir-Ln heteronuclear coordination polymers via light-harvesting antenna of Ir(III) unit","Journal of Materials Chemistry C","2014","2","","1698","1703","10.1039/C3TC31822B","","","1.54184","CuKα","","0.0498","0.0432","","","0.1145","0.1212","","","","","","0.945","","","","has coordinates","217969","2020-10-21","18:00:00",""
"7233641","8.9717","0.0003","15.1215","0.0004","23.7174","0.0006","73.467","0.002","88.039","0.003","81.392","0.003","3049.74","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H44 Ir2 N8 O10 Yb -","- C68 H44 Ir2 N8 O10 Yb -","- C136 H88 Ir4 N16 O20 Yb2 -","2","1","","Lina Li; Shuquan Zhang; Liangjin Xu; Zhong-Nin Chen; Junhua Luo","Highly sensitized near-infrared luminescence in Ir-Ln heteronuclear coordination polymers via light-harvesting antenna of Ir(III) unit","Journal of Materials Chemistry C","2014","2","","1698","1703","10.1039/C3TC31822B","","","1.54184","CuKα","","0.0834","0.0755","","","0.2307","0.2397","","","","","","1.117","","","","has coordinates","217970","2020-10-21","18:00:00",""
"7233642","6.4274","0.0013","8.3282","0.0017","9.4891","0.0019","90","","101.19","0.03","90","","498.28","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 F2 O11 Pb3 -","- B6 F2 O11 Pb3 -","- B12 F4 O22 Pb6 -","2","1","","Hongyi Li; Hongping Wu; Xin Su; Hongwei Yu; Shilie Pan; Zhihua Yang; Yi Lu; Jian Han; Kenneth R. Poeppelmeier","Pb3B6O11F2: the first non-centrosymmetric lead borate fluoride with a large second harmonic generation response","Journal of Materials Chemistry C","2014","2","","1704","1710","10.1039/C3TC32002B","","","0.71073","MoKα","","0.0439","0.0436","","","0.0927","0.093","","","","","","1.068","","","","has coordinates","217971","2020-10-21","18:00:00",""
"7233643","30.3853","0.0006","30.3853","0.0006","10.535","0.0002","90","","90","","120","","8423.5","0.3","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H22 B N O2 -","- C24 H22 B N O2 -","- C432 H396 B18 N18 O36 -","18","1","","Paul Kautny; Daniel Lumpi; Yanping Wang; Antoine Tissot; Johannes Bintinger; Ernst Horkel; Berthold Stoger; Christian Hametner; Hans Hagemann; Dongge Ma; Johannes Fröhlich","Oxadiazole based bipolar host materials employing planarized triarylamine donors for RGB PHOLEDs with low efficiency roll-off","Journal of Materials Chemistry C","2014","2","","2069","2081","10.1039/C3TC32338B","","x-ray","0.71073","MoKα","","0.0514","0.0406","","","0.06","0.0604","","","","3.57","3.57","3.24","","","","has coordinates","217972","2020-10-21","18:00:00",""
"7233644","17.9874","0.0004","9.2989","0.0008","21.5822","0.0009","90","","90","","90","","3609.9","0.4","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C50 H32 N4 O -","- C50 H32 N4 O -","- C200 H128 N16 O4 -","4","1","","Paul Kautny; Daniel Lumpi; Yanping Wang; Antoine Tissot; Johannes Bintinger; Ernst Horkel; Berthold Stoger; Christian Hametner; Hans Hagemann; Dongge Ma; Johannes Fröhlich","Oxadiazole based bipolar host materials employing planarized triarylamine donors for RGB PHOLEDs with low efficiency roll-off","Journal of Materials Chemistry C","2014","2","","2069","2081","10.1039/C3TC32338B","","x-ray","0.71073","MoKα","","0.0485","0.0395","","","0.0439","0.0444","","","","2.67","2.67","2.52","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233645","16.6992","0.0007","8.3716","0.0003","49.404","0.002","90","","90","","90","","6906.6","0.5","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H28 N4 O S2 -","- C46 H28 N4 O S2 -","- C368 H224 N32 O8 S16 -","8","2","","Paul Kautny; Daniel Lumpi; Yanping Wang; Antoine Tissot; Johannes Bintinger; Ernst Horkel; Berthold Stoger; Christian Hametner; Hans Hagemann; Dongge Ma; Johannes Fröhlich","Oxadiazole based bipolar host materials employing planarized triarylamine donors for RGB PHOLEDs with low efficiency roll-off","Journal of Materials Chemistry C","2014","2","","2069","2081","10.1039/C3TC32338B","","x-ray","0.71073","MoKα","","0.0566","0.0361","","","0.0347","0.0363","","","","1.68","1.68","1.53","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233646","13.303","0.005","22.847","0.005","19.514","0.005","90","","132.756","0.015","90","","4355","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 Ir N8 O3 -","- C49 H33 Ir N8 O3 -","- C196 H132 Ir4 N32 O12 -","4","1","","Hongtao Cao; Haizhu Sun; Yongming Yin; Xuemei Wen; Guogang Shan; Zhongmin Su; Ronglin Zhong; Wenfa Xie; Peng Li; Dongxia Zhu","Iridium(III) complexes adopting 1,2-diphenyl-1H-benzoimidazole ligands for highly efficient organic light-emitting diodes with low efficiency roll-off and non-doped feature","Journal of Materials Chemistry C","2014","2","","2150","2159","10.1039/C3TC32092H","","","0.71069","MoKα","","0.0708","0.0387","","","0.101","0.124","","","","","","0.778","","","","has coordinates","217975","2020-10-21","18:00:00",""
"7233647","10.1576","0.0002","9.0869","0.0002","26.2826","0.0007","90","","99.266","0.002","90","","2394.26","0.1","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl2 N4 O10 -","- C23 H18 Cl2 N4 O10 -","- C92 H72 Cl8 N16 O40 -","4","1","","Guo-Ping Yong; Yu-Mei Zhao; Ya Feng","Stimuli-responsive switching of magnetic properties and solid-state colors for 2,3'-biimidazo[1,2-a]pyridin-2'-one radical derivatives","Journal of Materials Chemistry C","2014","2","","2228","2234","10.1039/C3TC32130D","","","1.54184","CuKα","","0.0545","0.0505","","","0.1348","0.1393","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233648","8.4405","0.0006","12.6053","0.0007","14.5536","0.0007","111.421","0.005","104.571","0.005","94.943","0.006","1367.59","0.16","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cl3 N5 O15 -","- C22 H20 Cl3 N5 O15 -","- C44 H40 Cl6 N10 O30 -","2","1","","Guo-Ping Yong; Yu-Mei Zhao; Ya Feng","Stimuli-responsive switching of magnetic properties and solid-state colors for 2,3'-biimidazo[1,2-a]pyridin-2'-one radical derivatives","Journal of Materials Chemistry C","2014","2","","2228","2234","10.1039/C3TC32130D","","","1.54184","CuKα","","0.0744","0.0644","","","0.1557","0.1645","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233649","8.029","0.0003","18.9754","0.0009","13.3607","0.0005","90","","106.218","0.004","90","","1954.55","0.14","290","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 O4 -","- C23 H20 N4 O4 -","- C92 H80 N16 O16 -","4","1","","Guo-Ping Yong; Yu-Mei Zhao; Ya Feng","Stimuli-responsive switching of magnetic properties and solid-state colors for 2,3'-biimidazo[1,2-a]pyridin-2'-one radical derivatives","Journal of Materials Chemistry C","2014","2","","2228","2234","10.1039/C3TC32130D","","","1.54184","CuKα","","0.0992","0.0841","","","0.2162","0.2295","","","","","","1.052","","","","has coordinates","217978","2020-10-21","18:00:00",""
"7233650","32.6356","0.0016","8.5232","0.0003","15.46","0.0009","90","","116.224","0.005","90","","3857.7","0.4","290","2","290","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N5 O4 -","- C22 H19 N5 O4 -","- C176 H152 N40 O32 -","8","1","","Guo-Ping Yong; Yu-Mei Zhao; Ya Feng","Stimuli-responsive switching of magnetic properties and solid-state colors for 2,3'-biimidazo[1,2-a]pyridin-2'-one radical derivatives","Journal of Materials Chemistry C","2014","2","","2228","2234","10.1039/C3TC32130D","","","1.54184","CuKα","","0.042","0.0362","","","0.0955","0.1011","","","","","","1.048","","","","has coordinates","217979","2020-10-21","18:00:00",""
"7233651","37.712","0.006","9.3734","0.0014","26.15","0.004","90","","129.367","0.002","90","","7146.3","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H38 N3 O8 Tb -","- C41 H38 N3 O8 Tb -","- C328 H304 N24 O64 Tb8 -","8","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","0.71073","MoKα","","0.0428","0.0285","","","0.0746","0.0837","","","","","","0.967","","","","has coordinates","217980","2020-10-21","18:00:00",""
"7233652","37.5637","0.0019","9.1926","0.0002","26.6219","0.0014","90","","129.649","0.008","90","","7078.1","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H33 N4 O6 Tb -","- C41 H33 N4 O6 Tb -","- C328 H264 N32 O48 Tb8 -","8","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","1.54178","CuKα","","0.0307","0.0287","","","0.0747","0.0765","","","","","","1.046","","","","has coordinates","217981","2020-10-21","18:00:00",""
"7233653","13.8541","0.0003","28.4336","0.0006","9.3044","0.0002","90","","97.754","0.002","90","","3631.69","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N3 O7 S Tb -","- C41 H36 N3 O7 S Tb -","- C164 H144 N12 O28 S4 Tb4 -","4","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","1.54184","CuKα","","0.0948","0.0891","","","0.2204","0.2227","","","","","","1.295","","","","has coordinates","217982","2020-10-21","18:00:00",""
"7233654","9.2946","0.0007","13.8614","0.0009","14.4942","0.0008","97.275","0.005","96.048","0.005","98.684","0.006","1816.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H37 N4 O7 Tb -","- C42 H37 N4 O7 Tb -","- C84 H74 N8 O14 Tb2 -","2","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","1.54178","CuKα","","0.0449","0.0424","","","0.1085","0.1108","","","","","","1.048","","","","has coordinates","217983","2020-10-21","18:00:00",""
"7233655","9.299","0.0002","13.8249","0.0004","14.4792","0.0004","97.345","0.002","96.112","0.002","98.502","0.002","1810.88","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H37 Gd N4 O7 -","- C42 H37 Gd N4 O7 -","- C84 H74 Gd2 N8 O14 -","2","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","1.54184","CuKα","","0.0649","0.0618","","","0.1721","0.1742","","","","","","1.109","","","","has coordinates","217984","2020-10-21","18:00:00",""
"7233656","9.2927","0.0003","13.8088","0.0003","14.4762","0.0005","97.319","0.002","96.124","0.003","98.362","0.002","1807.98","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H37 Eu N4 O7 -","- C42 H37 Eu N4 O7 -","- C84 H74 Eu2 N8 O14 -","2","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","1.54184","CuKα","","0.0846","0.0809","","","0.2382","0.2421","","","","","","1.142","","","","has coordinates","217985","2020-10-21","18:00:00",""
"7233658","8.9683","0.0008","8.9683","0.0008","8.2107","0.001","90","","90","","90","","660.39","0.12","173","2","173","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C0.88 H2 F0.38 N0.13 O0.38 S0.13 -","- C0.875 H2 F0.375 N0.125 O0.38 S0.125 -","- C14 H32 F6 N2 O6.08 S2 -","16","1","","Pan Zhou; Zhihua Sun; Shuquan Zhang; Chengmin Ji; Sangen Zhao; Ren-Gen Xiong; Junhua Luo","A sequentially switchable molecular dielectric material tuned by the stepwise ordering in diisopropylammonium trifluoromethanesulfonate","Journal of Materials Chemistry C","2014","2","","2341","2345","10.1039/C3TC32238F","","","0.71073","MoKα","","0.0997","0.0651","","","0.2154","0.2548","","","","","","1.047","","","","has coordinates","217995","2020-10-21","18:00:00",""
"7233659","12.483","0.008","12.806","0.008","8.094","0.005","90","","94.388","0.008","90","","1290.1","1.4","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C3.5 H8 F1.5 N0.5 O1.5 S0.5 -","- C3.5 H8 F1.501 N0.5 O1.498 S0.5 -","- C28 H64 F12.008 N4 O11.984 S4 -","8","1","","Pan Zhou; Zhihua Sun; Shuquan Zhang; Chengmin Ji; Sangen Zhao; Ren-Gen Xiong; Junhua Luo","A sequentially switchable molecular dielectric material tuned by the stepwise ordering in diisopropylammonium trifluoromethanesulfonate","Journal of Materials Chemistry C","2014","2","","2341","2345","10.1039/C3TC32238F","","","0.71073","MoKα","","0.11","0.0992","","","0.318","0.3371","","","","","","1.357","","","","has coordinates,has disorder","217996","2020-10-21","18:00:00",""
"7233660","7.9073","0.0008","8.8169","0.0009","8.9215","0.0007","90.964","0.007","93.394","0.007","91.206","0.008","620.66","0.1","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H16 F3 N O3 S -","- C7 H16 F3 N O3 S -","- C14 H32 F6 N2 O6 S2 -","2","1","","Pan Zhou; Zhihua Sun; Shuquan Zhang; Chengmin Ji; Sangen Zhao; Ren-Gen Xiong; Junhua Luo","A sequentially switchable molecular dielectric material tuned by the stepwise ordering in diisopropylammonium trifluoromethanesulfonate","Journal of Materials Chemistry C","2014","2","","2341","2345","10.1039/C3TC32238F","","","0.71073","MoKα","","0.0997","0.0889","","","0.25","0.2618","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233661","27.3772","0.0003","27.3772","0.0003","87.5257","0.001","90","","90","","120","","56812.5","1.1","223","2","223","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C156 H134 Br4 Cd17 N2 S24 Se4 -","- C144 Br4 Cd17 S24 Se4 -","- C1728 Br48 Cd204 S288 Se48 -","12","0.333333","","Jian-Bing Jiang; Peng Huo; Peng Wang; Yin-Yin Wu; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai","Synthesis and photocurrent responsive properties of CdS/Se clusters integrated with methylviologen","Journal of Materials Chemistry C","2014","2","","2528","2533","10.1039/C3TC32093F","","","0.71073","MoKα","","0.1273","0.0747","","","0.2128","0.2598","","","","","","1.025","","","","has coordinates,has disorder","217998","2020-10-21","18:00:00",""
"7233662","27.0806","0.0004","27.0806","0.0004","86.9594","0.0012","90","","90","","120","","55228.6","1.4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C156 H134 Br4 Cd17 N2 S28 -","- C144 Br4 Cd17 S28 -","- C1728 Br48 Cd204 S336 -","12","0.333333","","Jian-Bing Jiang; Peng Huo; Peng Wang; Yin-Yin Wu; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai","Synthesis and photocurrent responsive properties of CdS/Se clusters integrated with methylviologen","Journal of Materials Chemistry C","2014","2","","2528","2533","10.1039/C3TC32093F","","","0.71073","MoKα","","0.1035","0.0716","","","0.2018","0.229","","","","","","1.028","","","","has coordinates,has disorder","217999","2020-10-21","18:00:00",""
"7233663","9.666","0.0003","23.6037","0.0008","12.8285","0.0004","90","","101.336","0.002","90","","2869.77","0.16","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 B F7 Ir N6 -","- C30 H19 B F7 Ir N6 -","- C120 H76 B4 F28 Ir4 N24 -","4","1","","Noviyan Darmawan; Cheng-Han Yang; Matteo Mauro; Roland Frohlich; Luisa De Cola; Chih-Hao Chang; Zih-Jyun Wu; Cheng-Wei Tai","Highly efficient blue and deep-blue emitting zwitterionic iridium(III) complexes: synthesis, photophysics and electroluminescence","Journal of Materials Chemistry C","2014","2","","2569","2582","10.1039/C3TC32181A","","","1.54178","CuKα","","0.033","0.0318","","","0.0807","0.0816","","","","","","1.077","","","","has coordinates","218000","2020-10-21","18:00:00",""
"7233664","22.5873","0.0005","16.4337","0.0004","8.511","0.0002","90","","97.541","0.001","90","","3131.9","0.13","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 F4 Ir N7 O3 S -","- C34 H26 F4 Ir N7 O3 S -","- C136 H104 F16 Ir4 N28 O12 S4 -","4","1","","Noviyan Darmawan; Cheng-Han Yang; Matteo Mauro; Roland Frohlich; Luisa De Cola; Chih-Hao Chang; Zih-Jyun Wu; Cheng-Wei Tai","Highly efficient blue and deep-blue emitting zwitterionic iridium(III) complexes: synthesis, photophysics and electroluminescence","Journal of Materials Chemistry C","2014","2","","2569","2582","10.1039/C3TC32181A","","","0.71073","MoKα","","0.0393","0.0315","","","0.0836","0.0916","","","","","","1.094","","","","has coordinates","218001","2020-10-21","18:00:00",""
"7233665","8.6423","0.0001","13.1265","0.0002","14.9287","0.0002","75.465","0.001","79.891","0.001","88.149","0.001","1613.78","0.04","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B F7 Ir N10 -","- C32 H23 B F7 Ir N10 -","- C64 H46 B2 F14 Ir2 N20 -","2","1","","Noviyan Darmawan; Cheng-Han Yang; Matteo Mauro; Roland Frohlich; Luisa De Cola; Chih-Hao Chang; Zih-Jyun Wu; Cheng-Wei Tai","Highly efficient blue and deep-blue emitting zwitterionic iridium(III) complexes: synthesis, photophysics and electroluminescence","Journal of Materials Chemistry C","2014","2","","2569","2582","10.1039/C3TC32181A","","","0.71073","MoKα","","0.0334","0.032","","","0.0842","0.0864","","","","","","1.032","","","","has coordinates","218002","2020-10-21","18:00:00",""
"7233666","14.3219","0.0008","5.5128","0.0003","35.1522","0.0019","90","","91.371","0.003","90","","2774.6","0.3","100","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,6-bis-(2-n-heptylthien-5-yl)dithieno[3,2-b:2',3'-d]thiophene","","","- C30 H36 S5 -","- C30 H36 S5 -","- C120 H144 S20 -","4","1","","Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg","Bis(5-alkylthiophen-2-yl)arene liquid crystals as molecular semiconductors","Journal of Materials Chemistry C","2014","2","","2600","2611","10.1039/C3TC32211D","","x-ray","0.71073","MoKα","K-L~3~","0.044","0.0414","","","0.1065","0.1095","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233667","5.021","0.005","11.022","0.012","14.579","0.015","107.556","0.012","94.166","0.013","95.76","0.012","760.8","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N2 O4 S2 -","- C36 H36 N2 O4 S2 -","- C36 H36 N2 O4 S2 -","1","0.5","","Jon-Paul Sun; Arthur D. Hendsbee; Ala a F. Eftaiha; Casper Macaulay; Lesley R. Rutledge; Gregory C. Welch; Ian G. Hill","Phthalimide-thiophene-based conjugated organic small molecules with high electron mobility","Journal of Materials Chemistry C","2014","2","","2612","2621","10.1039/C3TC32497D","","","0.71073","MoKα","","0.3388","0.0678","","","0.1022","0.1523","","","","","","0.583","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233668","16.824","0.005","27.111","0.005","11.546","0.005","90","0.005","91.858","0.005","90","0.005","5264","3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N5 O1.5 -","- C31 H25 N5 O1.5 -","- C248 H200 N40 O12 -","8","2","","Gang Liu; Mingdi Yang; Lianke Wang; Jun Zheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Schiff base derivatives containing heterocycles with aggregation-induced emission and recognition ability","Journal of Materials Chemistry C","2014","2","","2684","2691","10.1039/C3TC32591A","","","","","","0.142","","","","","","","","","","","","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7233669","23.904","0.004","9.7529","0.0017","11.323","0.002","90","","98.054","0.002","90","","2613.7","0.8","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 N5 O -","- C31 H24 N5 O -","- C124 H96 N20 O4 -","4","1","","Gang Liu; Mingdi Yang; Lianke Wang; Jun Zheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Schiff base derivatives containing heterocycles with aggregation-induced emission and recognition ability","Journal of Materials Chemistry C","2014","2","","2684","2691","10.1039/C3TC32591A","","","0.71073","MoKα","","0.0886","0.0536","","","0.1592","0.1968","","","","","","1.042","","","","has coordinates","218006","2020-10-21","18:00:00",""
"7233670","9.6685","0.0019","22.865","0.005","9.6903","0.0019","90","","112.41","0.03","90","","1980.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl2 O2 -","- C24 H20 Cl2 O2 -","- C96 H80 Cl8 O8 -","4","1","","Qing Liao; Zhenzhen Xu; Xiaolan Zhong; Wei Dang; Qiang Shi; Chao Zhang; Yuxiang Weng; Zhiyuan Li; Hongbing Fu","An organic nanowire waveguide exciton-polariton sub-microlaser and its photonic application","Journal of Materials Chemistry C","2014","2","","2773","2778","10.1039/C3TC32474E","","","0.71073","MoKα","","0.095","0.09","","","0.1972","0.2003","","","","","","1.132","","","","has coordinates","218007","2020-10-21","18:00:00",""
"7233671","5.611","0.0004","9.3974","0.0006","11.4933","0.0008","75.069","0.003","81.651","0.003","80.964","0.004","574.81","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 Eu O7 P2 -","- C8 Eu O7 P2 -","- C16 Eu2 O14 P4 -","2","1","","Sergio M. F. Vilela; Duarte Ananias; Jose A. Fernandes; Patricia Silva; Ana C. Gomes; Nuno J. O. Silva; Marcelo O. Rodrigues; Joao P. C. Tome; Anabela A. Valente; Paulo Ribeiro-Claro; Luis D. Carlos; Joao Rocha; Filipe A. Almeida Paz","Multifunctional micro- and nanosized metal-organic frameworks assembled from bisphosphonates and lanthanides","Journal of Materials Chemistry C","2014","2","","3311","3327","10.1039/C3TC32114B","powder diffraction","","","X-ray","","","","","","","","","11.7383","","","","","","","","has coordinates","218008","2020-10-21","18:00:00",""
"7233672","5.601","0.0004","9.3849","0.0007","11.4837","0.0008","75.205","0.004","81.625","0.004","81.12","0.004","573.05","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 Gd O7 P2 -","- C8 Gd O7 P2 -","- C16 Gd2 O14 P4 -","2","1","","Sergio M. F. Vilela; Duarte Ananias; Jose A. Fernandes; Patricia Silva; Ana C. Gomes; Nuno J. O. Silva; Marcelo O. Rodrigues; Joao P. C. Tome; Anabela A. Valente; Paulo Ribeiro-Claro; Luis D. Carlos; Joao Rocha; Filipe A. Almeida Paz","Multifunctional micro- and nanosized metal-organic frameworks assembled from bisphosphonates and lanthanides","Journal of Materials Chemistry C","2014","2","","3311","3327","10.1039/C3TC32114B","powder diffraction","","","X-ray","","","","","","","","","12.1287","","","","","","","","has coordinates","218009","2020-10-21","18:00:00",""
"7233673","5.5882","0.0005","9.3484","0.0008","11.4594","0.001","75.325","0.004","81.698","0.004","81.177","0.005","568.77","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 O7 P2 Tb -","- C8 O7 P2 Tb -","- C16 O14 P4 Tb2 -","2","1","","Sergio M. F. Vilela; Duarte Ananias; Jose A. Fernandes; Patricia Silva; Ana C. Gomes; Nuno J. O. Silva; Marcelo O. Rodrigues; Joao P. C. Tome; Anabela A. Valente; Paulo Ribeiro-Claro; Luis D. Carlos; Joao Rocha; Filipe A. Almeida Paz","Multifunctional micro- and nanosized metal-organic frameworks assembled from bisphosphonates and lanthanides","Journal of Materials Chemistry C","2014","2","","3311","3327","10.1039/C3TC32114B","powder diffraction","","","X-ray","","","","","","","","","12.835","","","","","","","","has coordinates","218010","2020-10-21","18:00:00",""
"7233674","9.64469","0.00028","5.57677","0.00017","5.63227","0.00016","90","","124.975","0.0015","90","","248.229","0.013","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Bi0.94 Dy0.06 Fe O3 -","- Bi0.94 Dy0.06 Fe O3 -","- Bi3.76 Dy0.24 Fe4 O12 -","4","1","","Robert C. Lennox; Mark C. Price; William Jamieson; Marek Jura; Aziz Daoud-Aladine; Claire A. Murray; Chiu Tang; Donna C. Arnold","Strain driven structural phase transformations in dysprosium doped BiFeO3 ceramics","Journal of Materials Chemistry C","2014","2","","3345","3360","10.1039/C3TC32345E","powder diffraction","neutron","","","","","","","","","","0.04131","","2.53","","","","","","","has coordinates","218011","2020-10-21","18:00:00",""
"7233675","5.58197","0.000034","5.58197","","13.87773","0.00009","90","","90","","120","","374.476","0.003","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Robert C. Lennox; Mark C. Price; William Jamieson; Marek Jura; Aziz Daoud-Aladine; Claire A. Murray; Chiu Tang; Donna C. Arnold","Strain driven structural phase transformations in dysprosium doped BiFeO3 ceramics","Journal of Materials Chemistry C","2014","2","","3345","3360","10.1039/C3TC32345E","powder diffraction","neutron","","","","","","","","","","0.0725","","1.24","","","","","","","has coordinates","218012","2020-10-21","18:00:00",""
"7233676","16.2914","0.0019","5.1448","0.0006","19.056","0.002","90","","97.021","0.006","90","","1585.2","0.3","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 -","- C26 H14 -","- C104 H56 -","4","1","","Hyunbok Lee; Yue Zhang; Lei Zhang; Timothy Mirabito; Edmund K. Burnett; Stefan Trahan; Ali Reza Mohebbi; Stefan C. B. Mannsfeld; Fred Wudl; Alejandro L. Briseno","Rubicene: a molecular fragment of C70 for use in organic field-effect transistors","Journal of Materials Chemistry C","2014","2","","3361","3366","10.1039/C3TC32117G","","","1.54178","CuKα","","0.0665","0.0595","","","0.1786","0.1829","","","","","","2.085","","","","has coordinates","218013","2020-10-21","18:00:00",""
"7233677","7.4707","0.0008","7.7479","0.0006","43.819","0.006","90","","91.54","0.01","90","","2535.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 O4 S4 -","- C26 H20 N2 O4 S4 -","- C104 H80 N8 O16 S16 -","4","0.5","","Manuela Melucci; Margherita Durso; Cristian Bettini; Massimo Gazzano; Lucia Maini; Stefano Toffanin; Susanna Cavallini; Massimiliano Cavallini; Denis Gentili; Viviana Biondo; Gianluca Generali; Federico Gallino; Raffaella Capelli; Michele Muccini","Structure-property relationships in multifunctional thieno(bis)imide-based semiconductors with different sized and shaped N-alkyl ends","Journal of Materials Chemistry C","2014","2","","3448","3456","10.1039/C3TC32538E","","","0.71073","MoKα","","0.1124","0.0787","","","0.1623","0.1785","","","","","","1.167","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233678","13.489","0.0005","5.5404","0.0002","17.523","0.0006","90","","90.06","0.002","90","","1309.57","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C60 H72 N4 O4 -","2","0.5","","Joydeep Dhar; N. Venkatramaiah; Anitha A.; Satish Patil","Photophysical, electrochemical and solid state properties of diketopyrrolopyrrole based molecular materials: importance of the donor group","Journal of Materials Chemistry C","2014","2","","3457","3466","10.1039/C3TC32251C","","","0.71073","MoKα","","0.0804","0.0455","","","0.1237","0.1677","","","","","","0.775","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233679","14.682","0.004","5.3913","0.0013","15.704","0.004","90","","97.355","0.004","90","","1232.8","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N2 O2 S2 -","- C26 H32 N2 O2 S2 -","- C52 H64 N4 O4 S4 -","2","0.5","","Joydeep Dhar; N. Venkatramaiah; Anitha A.; Satish Patil","Photophysical, electrochemical and solid state properties of diketopyrrolopyrrole based molecular materials: importance of the donor group","Journal of Materials Chemistry C","2014","2","","3457","3466","10.1039/C3TC32251C","","","0.71073","MoKα","","0.0928","0.0542","","","0.1217","0.1412","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233680","15.307","0.003","5.912","0.002","15.3931","0.0017","90","","106.796","0.012","90","","1333.6","0.5","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H15 Au Cl N O -","- C12 H15 Au Cl N O -","- C48 H60 Au4 Cl4 N4 O4 -","4","1","","Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi","Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes","Journal of Materials Chemistry C","2014","2","","3549","3555","10.1039/C3TC31973C","","x-ray","1.54178","CuKα","","0.0403","0.0308","","","","0.0932","","","","","","1.184","","","","has coordinates,has disorder","218031","2020-10-21","18:00:00",""
"7233681","20.744","0.002","7.279","0.003","21.511","0.003","90","","116.686","0.008","90","","2902.1","1.3","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H17 Au Cl N O -","- C13 H17 Au Cl N O -","- C104 H136 Au8 Cl8 N8 O8 -","8","2","","Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi","Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes","Journal of Materials Chemistry C","2014","2","","3549","3555","10.1039/C3TC31973C","","x-ray","1.54184","CuKα","","0.0547","0.043","","","","0.1252","","","","","","1.076","","","","has coordinates,has disorder","218032","2020-10-21","18:00:00",""
"7233682","7.3185","0.0015","10.594","0.002","20.763","0.005","83.909","0.008","81.684","0.008","75.894","0.006","1540.6","0.6","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 Au Cl N O -","- C14 H19 Au Cl N O -","- C56 H76 Au4 Cl4 N4 O4 -","4","2","","Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi","Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes","Journal of Materials Chemistry C","2014","2","","3549","3555","10.1039/C3TC31973C","","","0.71075","MoKα","","","0.0309","","","","0.058","","","","","","0.742","","","","has coordinates","218033","2020-10-21","18:00:00",""
"7233683","24.074","0.005","12.735","0.003","13.455","0.003","90","","118.63","0.03","90","","3620.7","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 O11 Sr2 -","- C16 H14 O11 Sr2 -","- C128 H112 O88 Sr16 -","8","1","","Muhammad Usman; Cheng-Hua Lee; Dung-Shing Hung; Shang-Fan Lee; Chih-Chieh Wang; Tzuoo-Tsair Luo; Li Zhao; Mau-Kuen Wu; Kuang-Lieh Lu","Intrinsic low dielectric behaviour of a highly thermally stable Sr-based metal-organic framework for interlayer dielectric materials","Journal of Materials Chemistry C","2014","2","","3762","3768","10.1039/C4TC00149D","","","0.71073","MoKα","","0.0388","0.026","","","0.0518","0.0557","","","","","","1.026","","","","has coordinates","218034","2020-10-21","18:00:00",""
"7233684","14.1494","0.0007","5.0861","0.0002","15.1825","0.0007","90","","108.108","0.005","90","","1038.5","0.09","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 O6 S2 -","- C22 H18 N4 O6 S2 -","- C44 H36 N8 O12 S4 -","2","0.5","","Ying Shu; Annabel Mikosch; Kevin N. Winzenberg; Peter Kemppinen; Christopher D. Easton; Ante Bilic; Craig M. Forsyth; Christopher J. Dunn; Th. Birendra Singh; Gavin E. Collis","N-Alkyl functionalized barbituric and thiobarbituric acid bithiophene derivatives for vacuum deposited n-channel OFETs","Journal of Materials Chemistry C","2014","2","","3895","3899","10.1039/C4TC00002A","","","1.54178","CuKα","","0.033","0.0299","","","0.0783","0.0803","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233685","5.0394","0.0003","27.5017","0.0017","8.9894","0.0006","90","","96.938","0.003","90","","1236.74","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 O6 S2 -","- C26 H26 N4 O6 S2 -","- C52 H52 N8 O12 S4 -","2","0.5","","Ying Shu; Annabel Mikosch; Kevin N. Winzenberg; Peter Kemppinen; Christopher D. Easton; Ante Bilic; Craig M. Forsyth; Christopher J. Dunn; Th. Birendra Singh; Gavin E. Collis","N-Alkyl functionalized barbituric and thiobarbituric acid bithiophene derivatives for vacuum deposited n-channel OFETs","Journal of Materials Chemistry C","2014","2","","3895","3899","10.1039/C4TC00002A","","","0.71073","MoKα","","0.048","0.0392","","","0.0949","0.0994","","","","","","1.057","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233686","28.194","0.008","3.7655","0.0009","21.917","0.005","90","","96.998","0.013","90","","2309.5","1","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H18 F2 -","- C40 H18 F2 -","- C160 H72 F8 -","4","0.5","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71073","MoKα","","0.125","0.0606","","","0.1474","0.1971","","","","","","1.059","","","","has coordinates","218037","2020-10-21","18:00:00",""
"7233687","22.635","0.005","3.8175","0.0007","28.706","0.006","90","","97.446","0.011","90","","2459.5","0.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H18 Cl2 -","- C40 H18 Cl2 -","- C160 H72 Cl8 -","4","1","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71073","MoKα","","0.3834","0.1204","","","0.2639","0.4332","","","","","","0.959","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233688","32.238","0.006","20.371","0.004","7.4765","0.0012","90","","90","","90","","4910","1.5","123","","123","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C42 H24 -","- C42 H24 -","- C336 H192 -","8","1","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71075","MoKα","","","0.0833","","","","0.1762","","","","","","1.261","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233689","16.638","0.006","7.303","0.003","22.897","0.009","90","","97.954","0.006","90","","2755.4","1.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H18 F6 -","- C42 H18 F6 -","- C168 H72 F24 -","4","1","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71073","MoKα","","0.191","0.0798","","","0.2083","0.2871","","","","","","0.962","","","","has coordinates,has disorder","218040","2020-10-21","18:00:00",""
"7233690","11.5281","0.0014","18.237","0.003","23.459","0.005","87.113","0.007","81.251","0.006","77.891","0.005","4765.3","1.4","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C48 H36 -","- C57.6 H41.94 -","- C288 H209.7 -","5","2.5","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71075","MoKα","","","0.0691","","","","0.1979","","","","","","0.936","","","","has coordinates","218041","2020-10-21","18:00:00",""
"7233691","16.62","0.02","3.748","0.004","19.26","0.02","90","","105.595","0.019","90","","1156","2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H16 F4 -","- C40 H16 F4 -","- C80 H32 F8 -","2","0.5","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71073","MoKα","","0.2169","0.1242","","","0.3558","0.399","","","","","","1.2","","","","has coordinates,has disorder","218042","2020-10-21","18:00:00",""
"7233692","7.1513","0.0011","12.238","0.002","14.932","0.003","74.975","0.003","86.091","0.003","73.556","0.003","1210.5","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H14 F6 -","- C40 H14 F6 -","- C80 H28 F12 -","2","1","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71073","MoKα","","0.1224","0.0534","","","0.1248","0.1835","","","","","","0.997","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233693","13.69","0.003","21.558","0.004","6.2444","0.0012","90","","95.33","0.03","90","","1834.9","0.6","293","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Pengchong Xue; Boqi Yao; Jiabao Sun; Qiuxia Xu; Peng Chen; Zhenqi Zhang; Ran Lu","Phenothiazine-based benzoxazole derivates exhibiting mechanochromic luminescence: the effect of a bromine atom","Journal of Materials Chemistry C","2014","2","","3942","3950","10.1039/C4TC00061G","","","0.71073","MoKα","","0.0761","0.049","","","0.1214","0.1343","","","","","","1.045","","","","has coordinates","218044","2020-10-21","18:00:00",""
"7233694","4.1159","0.0008","11.407","0.002","20.162","0.004","93.04","0.03","91.76","0.03","99","0.03","932.9","0.3","293","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Br N2 O S -","- C23 H16 Br N2 O S -","- C46 H32 Br2 N4 O2 S2 -","2","1","","Pengchong Xue; Boqi Yao; Jiabao Sun; Qiuxia Xu; Peng Chen; Zhenqi Zhang; Ran Lu","Phenothiazine-based benzoxazole derivates exhibiting mechanochromic luminescence: the effect of a bromine atom","Journal of Materials Chemistry C","2014","2","","3942","3950","10.1039/C4TC00061G","","","0.71073","MoKα","","0.0756","0.0559","","","0.1368","0.1606","","","","","","1.109","","","","has coordinates","218045","2020-10-21","18:00:00",""
"7233695","8.2257","0.0006","23.5398","0.0018","8.2544","0.0006","90","","90","","90","","1598.3","0.2","298","2","298","2","","","","","","","","4","A e m 2","A 2 -2b","39","","","","- Bi I5 O15 Rb2 -","- Bi I5 O15 Rb2 -","- Bi4 I20 O60 Rb8 -","4","0.5","","Yin Huang; Xianggao Meng; Pifu Gong; Lei Yang; Zheshuai Lin; Xingguo Chen; Jingui Qin","A2BiI5O15 (A = K+ or Rb+): two new promising nonlinear optical materials containing [I3O9]3- bridging anionic groups","Journal of Materials Chemistry C","2014","2","","4057","4062","10.1039/C4TC00264D","","","0.71073","MoKα","","0.0401","0.0397","","","0.1095","0.1099","","","","","","1.067","","","","has coordinates","218046","2020-10-21","18:00:00",""
"7233696","8.2115","0.0005","23.2072","0.0015","8.1977","0.0005","90","","90","","90","","1562.2","0.17","298","2","298","2","","","","","","","","4","A e m 2","A 2 -2b","39","","","","- Bi I5 K2 O15 -","- Bi I5 K2 O15 -","- Bi4 I20 K8 O60 -","4","0.5","","Yin Huang; Xianggao Meng; Pifu Gong; Lei Yang; Zheshuai Lin; Xingguo Chen; Jingui Qin","A2BiI5O15 (A = K+ or Rb+): two new promising nonlinear optical materials containing [I3O9]3- bridging anionic groups","Journal of Materials Chemistry C","2014","2","","4057","4062","10.1039/C4TC00264D","","","0.71073","MoKα","","0.0169","0.0169","","","0.0418","0.0419","","","","","","1.058","","","","has coordinates","218047","2020-10-21","18:00:00",""
"7233702","6.8765","0.0005","6.8765","0.0005","25.923","0.004","90","","90","","120","","1061.6","0.2","296","2","296","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- B7 Li4 O14 Rb3 -","- B7 Li4 O14 Rb3 -","- B21 Li12 O42 Rb9 -","3","0.5","","Zhang, Bingbing; Yang, Zhihua; Yang, Yun; Lee, Ming-Hsien; Pan, Shilie; Jing, Qun; Su, Xin","p–(p,π*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates Li~n~M~n-1~B~2n-1~O~4n-2~ (M = Cs/Rb, n = 3, 4, 6)","Journal of Materials Chemistry C","2014","2","21","4133","4141","10.1039/c4tc00363b","","","0.71073","MoKα","","0.0234","0.0202","","","0.0433","0.0442","","","","","","1.042","","","","has coordinates","275241","2022-05-09","00:54:32",""
"7233703","15.9782","0.0006","7.2762","0.0002","13.9814","0.0006","90","","102.701","0.002","90","","1585.71","0.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 F6 -","- C44 H26 F6 -","- C88 H52 F12 -","2","0.5","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.0763","0.0659","","","0.1299","0.1354","","","","","","1.108","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233704","14.9125","0.0006","7.1151","0.0002","14.4263","0.0004","90","","98.099","0.002","90","","1515.42","0.09","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 N2 -","- C44 H26 N2 -","- C88 H52 N4 -","2","0.5","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.1016","0.0665","","","0.1352","0.1538","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233705","13.5679","0.0005","7.0143","0.0002","14.302","0.0007","90","","103.954","0.002","90","","1320.94","0.09","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 S2 -","- C38 H24 S2 -","- C76 H48 S4 -","2","0.5","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.0897","0.0687","","","0.1501","0.1625","","","","","","1.1","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233706","10.5166","0.0002","17.9901","0.0004","15.66","0.0004","90","","105.549","0.001","90","","2854.36","0.11","253","2","253","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H25 Cl S2 -","- C38 H25 Cl S2 -","- C152 H100 Cl4 S8 -","4","1","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.053","0.0459","","","0.108","0.1131","","","","","","1.014","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233707","9.4762","0.0002","11.5861","0.0004","13.4449","0.0005","82.999","0.009","79.945","0.008","77.745","0.008","1414.82","0.1","203","","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H25 Cl S2 -","- C38 H25 Cl S2 -","- C76 H50 Cl2 S4 -","2","1","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.1424","0.0737","","","0.1455","0.1773","","","","","","1.016","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233708","9.2392","0.0002","20.2271","0.0003","15.5813","0.0004","90","","103.638","0.001","90","","2829.77","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H25 Cl S2 -","- C38 H25 Cl S2 -","- C152 H100 Cl4 S8 -","4","1","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.0773","0.0592","","","0.1231","0.1319","","","","","","1.103","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233709","16.3862","0.001","8.9089","0.0006","19.3895","0.0014","90","","98.168","0.003","90","","2801.8","0.3","253","2","253","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H23 Cl S2 -","- C38 H23 Cl S2 -","- C152 H92 Cl4 S8 -","4","1","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.0948","0.0704","","","0.1477","0.1701","","","","","","1.147","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233710","11.518","0.0006","6.0678","0.0003","20.8427","0.001","90","","93.276","0.003","90","","1454.29","0.13","253","2","253","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H26 S2 -","- C38 H26 S2 -","- C76 H52 S4 -","2","1","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.1057","0.0704","","","0.1454","0.1679","","","","","","1.055","","","","has coordinates,has disorder","218090","2020-10-21","18:00:00",""
"7233711","15.0983","0.0003","7.1706","0.0002","14.2489","0.0005","90","","100.616","0.001","90","","1516.24","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","- C84 H52 N4 O8 -","2","0.5","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.0853","0.0673","","","0.1439","0.1543","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233712","9.7817","0.0003","13.874","0.0005","16.008","0.0005","106.112","0.001","91.443","0.001","92.93","0.001","2082.65","0.12","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C31 H20 -","- C31 H20 -","- C124 H80 -","4","2","","Sebastien Thiery; Denis Tondelier; Celine Declairieux; Gijun Seo; Bernard Geffroy; Olivier Jeannin; Joelle Rault-Berthelot; Remi Metivier; Cyril Poriel","9,9'-Spirobifluorene and 4-phenyl-9,9'-spirobifluorene: pure hydrocarbon small molecules as hosts for efficient green and blue PhOLEDs","Journal of Materials Chemistry C","2014","2","","4156","4166","10.1039/C4TC00171K","","x-ray","0.71073","MoKα","","0.066","0.0581","","","0.1549","0.1676","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233713","7.551","0.0004","16.9848","0.0007","7.8364","0.0004","90","","104.798","0.003","90","","971.7","0.08","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cl Cu3 N2 S2 -","- C4 H12 Cl Cu3 N2 S2 -","- C16 H48 Cl4 Cu12 N8 S8 -","4","0.5","","Ma, Lun; Chen, Wei; Schatte, Gabriele; Wang, Wei; Joly, Alan G.; Huang, Yining; Sammynaiken, Ramaswami; Hossu, Marius","A new Cu–cysteamine complex: structure and optical properties","Journal of Materials Chemistry C","2014","2","21","4239","4246","10.1039/c4tc00114a","","","0.71073","MoKα","","0.0488","0.0328","","","0.0698","0.0779","","","","","","1.063","","","","has coordinates","275242","2022-05-09","01:01:51",""
"7233714","11.195","0.004","11.195","0.004","7.263","0.006","90","","90","","120","","788.3","0.8","296","2","296","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- B3 Ba7 Cl O13 Si -","- B3 Ba7 Cl O13 Si -","- B6 Ba14 Cl2 O26 Si2 -","2","0.166667","","Xiaoxia Lin; Fangfang Zhang; Shilie Pan; Hongwei Yu; Fangyuan Zhang; Xiaoyu Dong; Shujuan Han; Lingyun Dong; Chunyan Bai; Zheng Wang","Ba4(BO3)3(SiO4).Ba3X (X = Cl, Br): new salt-inclusion borosilicate halides as potential deep UV nonlinear optical materials","Journal of Materials Chemistry C","2014","2","","4257","4264","10.1039/C4TC00079J","","","0.71073","MoKα","","0.0261","0.0248","","","0.0644","0.065","","","","","","1.167","","","","has coordinates,has disorder","218094","2020-10-21","18:00:00",""
"7233715","11.279","0.003","11.279","0.003","7.324","0.004","90","","90","","120","","806.9","0.5","296","2","296","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- B3 Ba7 Br O13 Si -","- B3 Ba7 Br O13 Si -","- B6 Ba14 Br2 O26 Si2 -","2","0.166667","","Xiaoxia Lin; Fangfang Zhang; Shilie Pan; Hongwei Yu; Fangyuan Zhang; Xiaoyu Dong; Shujuan Han; Lingyun Dong; Chunyan Bai; Zheng Wang","Ba4(BO3)3(SiO4).Ba3X (X = Cl, Br): new salt-inclusion borosilicate halides as potential deep UV nonlinear optical materials","Journal of Materials Chemistry C","2014","2","","4257","4264","10.1039/C4TC00079J","","","0.71073","MoKα","","0.0365","0.0322","","","0.0655","0.0684","","","","","","1.103","","","","has coordinates","218095","2020-10-21","18:00:00",""
"7233716","6.2448","0.0016","11.883","0.003","14.808","0.005","90","","100.99","0.03","90","","1078.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 N2 O2 -","- C30 H20 N2 O2 -","- C60 H40 N4 O4 -","2","0.5","","David Gendron; Eliot Gann; Katherine Pattison; Fatemeh Maasoumi; Christopher R. McNeill; Scott E. Watkins; Paul L. Burn; Benjamin J. Powell; Paul E. Shaw","Synthesis and properties of pyrrolo[3,2-b]pyrrole-1,4-diones (isoDPP) derivatives","Journal of Materials Chemistry C","2014","2","","4276","4288","10.1039/C4TC00427B","","","0.71073","MoKα","","0.1017","0.0568","","","0.1003","0.1183","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233717","12.2888","0.0014","5.8588","0.0005","14.7622","0.0015","90","","107.799","0.011","90","","1011.97","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 O2 S2 -","- C26 H16 N2 O2 S2 -","- C52 H32 N4 O4 S4 -","2","0.5","","David Gendron; Eliot Gann; Katherine Pattison; Fatemeh Maasoumi; Christopher R. McNeill; Scott E. Watkins; Paul L. Burn; Benjamin J. Powell; Paul E. Shaw","Synthesis and properties of pyrrolo[3,2-b]pyrrole-1,4-diones (isoDPP) derivatives","Journal of Materials Chemistry C","2014","2","","4276","4288","10.1039/C4TC00427B","","","1.5418","CuKα","","0.0388","0.0344","","","0.0903","0.0941","","","","","","1.094","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233718","5.7794","0.0004","13.9768","0.0009","20.7994","0.0011","90","","96.686","0.006","90","","1668.7","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 N2 O4 S2 -","- C38 H40 N2 O4 S2 -","- C76 H80 N4 O8 S4 -","2","0.5","","David Gendron; Eliot Gann; Katherine Pattison; Fatemeh Maasoumi; Christopher R. McNeill; Scott E. Watkins; Paul L. Burn; Benjamin J. Powell; Paul E. Shaw","Synthesis and properties of pyrrolo[3,2-b]pyrrole-1,4-diones (isoDPP) derivatives","Journal of Materials Chemistry C","2014","2","","4276","4288","10.1039/C4TC00427B","","","1.5418","CuKα","","0.0503","0.0421","","","0.101","0.1072","","","","","","1.038","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233719","12.7827","0.0012","12.9142","0.001","16.2498","0.0011","92.293","0.006","107.582","0.007","112.892","0.008","2317.6","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","2","","Carrie Y. K. Chan; Jacky W. Y. Lam; Zujin Zhao; Shuming Chen; Ping Lu; Herman H. Y. Sung; Hoi Sing Kwok; Yuguang Ma; Ian D. Williams; Ben Zhong Tang","Aggregation-induced emission, mechanochromism and blue electroluminescence of carbazole and triphenylamine-substituted ethenes","Journal of Materials Chemistry C","2014","2","","4320","4327","10.1039/C4TC00097H","","","1.54178","CuKα","","0.0829","0.0447","","","0.0765","0.0817","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233720","12.5655","0.0005","8.9233","0.0003","14.0093","0.0005","90","","114.622","0.004","90","","1427.98","0.1","143","","143","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H35 N -","- C38 H35 N -","- C76 H70 N2 -","2","1","","Carrie Y. K. Chan; Jacky W. Y. Lam; Zujin Zhao; Shuming Chen; Ping Lu; Herman H. Y. Sung; Hoi Sing Kwok; Yuguang Ma; Ian D. Williams; Ben Zhong Tang","Aggregation-induced emission, mechanochromism and blue electroluminescence of carbazole and triphenylamine-substituted ethenes","Journal of Materials Chemistry C","2014","2","","4320","4327","10.1039/C4TC00097H","","x-ray","1.5418","CuKα","","0.0547","0.0523","","","0.1404","0.143","","","","","","1.054","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233721","10.923","0.0006","11.5156","0.0006","12.0082","0.0007","98.178","0.004","98.136","0.005","108.704","0.005","1387.63","0.14","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H29 N -","- C38 H29 N -","- C76 H58 N2 -","2","1","","Carrie Y. K. Chan; Jacky W. Y. Lam; Zujin Zhao; Shuming Chen; Ping Lu; Herman H. Y. Sung; Hoi Sing Kwok; Yuguang Ma; Ian D. Williams; Ben Zhong Tang","Aggregation-induced emission, mechanochromism and blue electroluminescence of carbazole and triphenylamine-substituted ethenes","Journal of Materials Chemistry C","2014","2","","4320","4327","10.1039/C4TC00097H","","x-ray","1.5418","CuKα","","0.0518","0.0472","","","0.1322","0.1373","","","","","","0.991","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233722","21.8054","0.0012","9.0383","0.0003","49.995","0.003","90","","96.591","0.004","90","","9788.1","0.9","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C78 H56 Eu2 N2 O16 -","- C78 H52 Eu2 N2 O16 -","- C312 H208 Eu8 N8 O64 -","4","1","","Yan-Ping He; Yan-Xi Tan; Jian Zhang","Guest inducing fluorescence switching in lanthanide-tris((4-carboxyl)phenylduryl)amine frameworks integrating porosity and flexibility","Journal of Materials Chemistry C","2014","2","","4436","4441","10.1039/C4TC00329B","","","0.71073","MoKα","","0.104","0.0754","","","0.1748","0.1885","","","","","","0.952","","","","has coordinates","218102","2020-10-21","18:00:00",""
"7233733","13.338","0.011","9.59","0.008","13.46","0.011","90","","95.853","0.009","90","","1713","2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H29 F4 Ir N4 O2 -","- C41 H29 F4 Ir N4 O2 -","- C82 H58 F8 Ir2 N8 O4 -","2","1","","Enrico Marchi; Mirko Locritani; Massimo Baroncini; Giacomo Bergamini; Riccardo Sinisi; Magda Monari; Chiara Botta; Wojciech Mroz; Marco Bandini; Paola Ceroni; Vincenzo Balzani","Blue and highly emitting [Ir(IV)] complexes by an efficient photoreaction of yellow luminescent [Ir(III)] complexes","Journal of Materials Chemistry C","2014","2","","4461","4467","10.1039/C4TC00278D","","","0.71073","MoKα","","0.1142","0.0908","","","0.2074","0.2193","","","","","","1.174","","","","has coordinates","218121","2020-10-21","18:00:00",""
"7233734","9.9118","0.0004","18.8734","0.0009","15.8937","0.0007","90","","102.641","0.001","90","","2901.2","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl2 F4 Ir N4 O2 -","- C30 H23 Cl2 F4 Ir N4 O2 -","- C120 H92 Cl8 F16 Ir4 N16 O8 -","4","1","","Enrico Marchi; Mirko Locritani; Massimo Baroncini; Giacomo Bergamini; Riccardo Sinisi; Magda Monari; Chiara Botta; Wojciech Mroz; Marco Bandini; Paola Ceroni; Vincenzo Balzani","Blue and highly emitting [Ir(IV)] complexes by an efficient photoreaction of yellow luminescent [Ir(III)] complexes","Journal of Materials Chemistry C","2014","2","","4461","4467","10.1039/C4TC00278D","","","0.71073","MoKα","","0.041","0.025","","","0.0587","0.0648","","","","","","1.019","","","","has coordinates","218122","2020-10-21","18:00:00",""
"7233735","9.7653","0.0002","9.7653","0.0002","12.0581","0.0003","90","","90","","120","","995.82","0.04","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- Ba4 Cl Ge3 Na S10 -","- Ba4 Cl Ge3 Na S10 -","- Ba8 Cl2 Ge6 Na2 S20 -","2","0.333333","","Kai Feng; Lei Kang; Zheshuai Lin; Jiyong Yao; Yicheng Wu","Noncentrosymmetric chalcohalide NaBa4Ge3S10Cl with large band gap and IR NLO response","Journal of Materials Chemistry C","2014","2","","4590","4596","10.1039/C4TC00060A","","","0.71073","MoKα","","0.0456","0.0424","","","0.1189","0.1245","","","","","","0.948","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233736","34.953","0.002","23.0357","0.0014","33.652","0.002","90","","104.105","0.003","90","","26279","3","199","2","199","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H54 Mn Mo6 N6 O30 -","- C53 H54 Mn Mo6 N6 O30 -","- C424 H432 Mn8 Mo48 N48 O240 -","8","1","","Ali Saad; Olivier Oms; Jerome Marrot; Anne Dolbecq; Khadija Hakouk; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt; Damien Garrot; Kamel Boukheddaden; Rongji Liu; Guangjin Zhang; Bineta Keita; Pierre Mialane","Design and optical investigations of a spironaphthoxazine/polyoxometalate/spiropyran triad","Journal of Materials Chemistry C","2014","2","","4748","4758","10.1039/C4TC00378K","","","0.71073","MoKα","","0.1764","0.0857","","","0.2228","0.2537","","","","","","0.859","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233737","34.7751","0.0015","23.3403","0.001","33.6814","0.0014","90","","103.352","0.002","90","","26599","2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Mn Mo6 N6 O28 -","- C56 H56 Mn Mo6 N6 O28 -","- C448 H448 Mn8 Mo48 N48 O224 -","8","1","","Ali Saad; Olivier Oms; Jerome Marrot; Anne Dolbecq; Khadija Hakouk; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt; Damien Garrot; Kamel Boukheddaden; Rongji Liu; Guangjin Zhang; Bineta Keita; Pierre Mialane","Design and optical investigations of a spironaphthoxazine/polyoxometalate/spiropyran triad","Journal of Materials Chemistry C","2014","2","","4748","4758","10.1039/C4TC00378K","","","0.71073","MoKα","","0.1246","0.092","","","0.296","0.3079","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233738","11.459","0.002","5.9687","0.001","20.744","0.004","90","","93.659","0.003","90","","1415.9","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H26 S2 -","- C38 H26 S2 -","- C76 H52 S4 -","2","1","","Xiaotao Zhang; Xiuqiang Lu; Yonggang Zhen; Jie Liu; Huanli Dong; Guangyao Zhao; Ping He; Zongrui Wang; Lang Jiang; Wenping Hu","Synthesis and aggregation-induced emissions of thienyl substituted cyclobutene derivatives","Journal of Materials Chemistry C","2014","2","","5083","5086","10.1039/C4TC00221K","","","0.71073","MoKα","","0.0588","0.0563","","","0.146","0.149","","","","","","1.053","","","","has coordinates,has disorder","218126","2020-10-21","18:00:00",""
"7233739","11.1429","0.0004","14.0177","0.0004","14.2677","0.0005","73.452","0.001","68.556","0.001","69.722","0.001","1913.58","0.11","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H19 B F2 O4 -","- C21 H19 B F2 O4 -","- C84 H76 B4 F8 O16 -","4","2","","Anthony D'Aleo; Abdellah Felouat; Vasile Heresanu; Alain Ranguis; Damien Chaudanson; Artak Karapetyan; Michel Giorgi; Frederic Fages","Two-photon excited fluorescence of BF2 complexes of curcumin analogues: toward NIR-to-NIR fluorescent organic nanoparticles","Journal of Materials Chemistry C","2014","2","","5208","5215","10.1039/C4TC00543K","","x-ray","0.71073","MoKα","","0.1912","0.0792","","","0.2264","0.308","","","","","","1.069","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7233740","7.594","0.005","5.874","0.004","41.51","0.03","90","","94.302","0.008","90","","1846","2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 F4 N -","- C24 H19 F4 N -","- C96 H76 F16 N4 -","4","1","","Chiara Botta; Elena Cariati; Gabriella Cavallo; Valentina Dichiarante; Alessandra Forni; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati; Stefania Righetto; Giancarlo Terraneo; Elisa Tordin","Fluorine-induced J-aggregation enhances emissive properties of a new NLO push-pull chromophore","Journal of Materials Chemistry C","2014","2","","5275","5279","10.1039/C4TC00665H","","","0.71073","MoKα","","0.1646","0.1134","","","0.2673","0.2943","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233741","11.3066","0.0015","32.677","0.004","8.6138","0.0012","90","","90","","90","","3182.5","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","[(ppy)2Ir(tBuN)2CPh]","","","- C37 H39 Ir N4 -","- C37 H39 Ir N4 -","- C148 H156 Ir4 N16 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Substituent effect on the electroluminescence efficiency of amidinate-ligated bis(pyridylphenyl) iridium(III) complexes","Journal of Materials Chemistry C","2014","2","","5317","5326","10.1039/C3TC32553A","","","0.71073","MoKα","","0.0367","0.0296","","","0.0599","0.0617","","","","","","1.018","","","","has coordinates","218129","2020-10-21","18:00:00",""
"7233742","11.359","0.005","24.368","0.011","23.379","0.011","90","","97.568","0.008","90","","6415","5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(ppy)2Ir(tBuN)(EtN)CPh]","","","- C77 H78 Ir2 N8 -","- C77 H78 Ir2 N8 -","- C308 H312 Ir8 N32 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Substituent effect on the electroluminescence efficiency of amidinate-ligated bis(pyridylphenyl) iridium(III) complexes","Journal of Materials Chemistry C","2014","2","","5317","5326","10.1039/C3TC32553A","","","0.71073","MoKα","","0.1105","0.0511","","","0.0779","0.0859","","","","","","0.801","","","","has coordinates,has disorder","218130","2020-10-21","18:00:00",""
"7233743","16.198","0.009","18.41","0.01","10.788","0.006","90","","101.611","0.008","90","","3151","3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","[(ppy)2Ir(Me2NpropylN)(EtN)CPh]","","","- C36 H38 Ir N5 -","- C36 H38 Ir N5 -","- C144 H152 Ir4 N20 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Substituent effect on the electroluminescence efficiency of amidinate-ligated bis(pyridylphenyl) iridium(III) complexes","Journal of Materials Chemistry C","2014","2","","5317","5326","10.1039/C3TC32553A","","","0.71073","MoKα","","0.0573","0.0425","","","0.058","0.0603","","","","","","0.814","","","","has coordinates","218131","2020-10-21","18:00:00",""
"7233744","13.109","0.003","12.646","0.003","20.478","0.004","90","","90","","90","","3394.8","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C152 H152 B8 F16 N16 -","8","1","","Cui-Lian Liu; Yong Chen; Deepak P. Shelar; Cong Li; Gang Cheng; Wen-Fu Fu","Bodipy dyes bearing oligo(ethylene glycol) groups on the meso-phenyl ring: tuneable solid-state photoluminescence and highly efficient OLEDs","Journal of Materials Chemistry C","2014","2","","5471","5478","10.1039/C4TC00720D","","","0.71073","MoKα","","0.0874","0.0638","","","0.1666","0.1885","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233745","8.0768","0.0016","9.6024","0.0019","24.077","0.005","90","","90","","90","","1867.3","0.7","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 B F2 N2 O -","- C21 H23 B F2 N2 O -","- C84 H92 B4 F8 N8 O4 -","4","1","","Cui-Lian Liu; Yong Chen; Deepak P. Shelar; Cong Li; Gang Cheng; Wen-Fu Fu","Bodipy dyes bearing oligo(ethylene glycol) groups on the meso-phenyl ring: tuneable solid-state photoluminescence and highly efficient OLEDs","Journal of Materials Chemistry C","2014","2","","5471","5478","10.1039/C4TC00720D","","","0.71073","MoKα","","0.0372","0.032","","","0.0743","0.0768","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233746","13.111","0.003","10.49","0.002","16.055","0.003","90","","111.21","0.03","90","","2058.5","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 B F2 N2 O2 -","- C23 H27 B F2 N2 O2 -","- C92 H108 B4 F8 N8 O8 -","4","1","","Cui-Lian Liu; Yong Chen; Deepak P. Shelar; Cong Li; Gang Cheng; Wen-Fu Fu","Bodipy dyes bearing oligo(ethylene glycol) groups on the meso-phenyl ring: tuneable solid-state photoluminescence and highly efficient OLEDs","Journal of Materials Chemistry C","2014","2","","5471","5478","10.1039/C4TC00720D","","","0.71073","MoKα","","0.0808","0.0567","","","0.1711","0.186","","","","","","1.127","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233747","7.9161","0.0016","12.051","0.002","12.96","0.003","73.25","0.03","77.85","0.03","85.14","0.03","1157","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 B F2 N2 O3 -","- C25 H31 B F2 N2 O3 -","- C50 H62 B2 F4 N4 O6 -","2","1","","Cui-Lian Liu; Yong Chen; Deepak P. Shelar; Cong Li; Gang Cheng; Wen-Fu Fu","Bodipy dyes bearing oligo(ethylene glycol) groups on the meso-phenyl ring: tuneable solid-state photoluminescence and highly efficient OLEDs","Journal of Materials Chemistry C","2014","2","","5471","5478","10.1039/C4TC00720D","","","0.71073","MoKα","","0.0649","0.038","","","0.0895","0.097","","","","","","1.132","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233748","17.906","0.005","21.419","0.005","19.917","0.005","90","0.005","107.658","0.005","90","0.005","7279","3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 La2 O29 -","- C24 H12 La2 O29 -","- C192 H96 La16 O232 -","8","2","","X. Fan; S. Freslon; C. Daiguebonne; G. Calvez; L. Le Polles; K. Bernot; O. Guillou","Heteronuclear lanthanide-based coordination polymers exhibiting tunable multiple emission spectra","Journal of Materials Chemistry C","2014","2","","5510","5525","10.1039/C4TC00506F","","x-ray","0.71069","MoKα","","0.0864","0.0409","","","0.0875","0.1107","","","","","","1.132","","","","has coordinates","218136","2020-10-21","18:00:00",""
"7233749","9.6447","0.0009","23.9","0.003","27.692","0.003","90","","91.735","0.008","90","","6380.3","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 B F2 N6 O8 -","- C28 H26 B F2 N6 O8 -","- C224 H208 B8 F16 N48 O64 -","8","1","","Vellanki Lakshmi; Mangalampalli Ravikanth","Boron-dipyrromethene based multi-anionic sensor and a specific cationic sensor for Fe3+","Journal of Materials Chemistry C","2014","2","","5576","5586","10.1039/C4TC00317A","","","0.71073","MoKα","","0.2179","0.0636","","","0.1574","0.1861","","","","","","0.742","","","","has coordinates","218137","2020-10-21","18:00:00",""
"7233750","9.007","0.002","9.991","0.003","23.493","0.006","90","","90","","90","","2114.1","1","293","2","293","2","","","","","","","","2","P b n a","-P 2ac 2b","60","","","","- C15 H11 -","- C15 H11 -","- C120 H88 -","8","1","","Hua Wang; Yan Liang; Huanling Xie; Linglong Feng; Haifeng Lu; Shengyu Feng","Emission enhancement and color adjustment of silicon-cored structure in tetraphenyl benzene with aggregation-enhanced emission","Journal of Materials Chemistry C","2014","2","","5601","5606","10.1039/C4TC00570H","","","0.71073","MoKα","","0.0493","0.0384","","","0.0883","0.0964","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233751","10.355","0.015","12","0.017","12.897","0.018","63.27","0.02","68.47","0.03","65.42","0.02","1269","3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H26 -","- C36 H26 -","- C72 H52 -","2","1","","Hua Wang; Yan Liang; Huanling Xie; Linglong Feng; Haifeng Lu; Shengyu Feng","Emission enhancement and color adjustment of silicon-cored structure in tetraphenyl benzene with aggregation-enhanced emission","Journal of Materials Chemistry C","2014","2","","5601","5606","10.1039/C4TC00570H","","","0.71073","MoKα","","0.1857","0.092","","","0.2394","0.3151","","","","","","0.96","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233752","11.607","0.004","12.911","0.004","19.928","0.007","84.703","0.006","79.983","0.006","64.604","0.006","2656.1","1.6","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C72 H52 Si -","- C72 H52 Si -","- C144 H104 Si2 -","2","1","","Hua Wang; Yan Liang; Huanling Xie; Linglong Feng; Haifeng Lu; Shengyu Feng","Emission enhancement and color adjustment of silicon-cored structure in tetraphenyl benzene with aggregation-enhanced emission","Journal of Materials Chemistry C","2014","2","","5601","5606","10.1039/C4TC00570H","","","0.71073","MoKα","","0.0999","0.0584","","","0.1314","0.156","","","","","","1.012","","","","has coordinates","218140","2020-10-21","18:00:00",""
"7233767","18.696","0.002","5.148","0.0007","12.7045","0.0018","90","","90","","90","","1222.8","0.3","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","","M. Lozano Gonzalez; M. E. Sanchez-Vergara; J. R. Alvarez-Bada; M. I. Chavez-Uribe; Ruben A. Toscano; C. Alvarez-Toledano","Synthesis and optical properties of iron(III) complexes of 2- benzylidene-1-indanone derivative thin films","Journal of Materials Chemistry C","2014","2","","5607","5614","10.1039/C4TC00599F","","","0.71073","MoKα","","0.1246","0.052","","","0.0951","0.1227","","","","","","0.992","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233768","14.6288","0.0014","14.6288","0.0014","33.985","0.003","90","","90","","120","","6298.5","1","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C51 H39 Fe O9 -","- C51 H39 Fe O9 -","- C306 H234 Fe6 O54 -","6","0.333333","","M. Lozano Gonzalez; M. E. Sanchez-Vergara; J. R. Alvarez-Bada; M. I. Chavez-Uribe; Ruben A. Toscano; C. Alvarez-Toledano","Synthesis and optical properties of iron(III) complexes of 2- benzylidene-1-indanone derivative thin films","Journal of Materials Chemistry C","2014","2","","5607","5614","10.1039/C4TC00599F","","","0.71073","MoKα","","0.1346","0.0601","","","0.1289","0.1614","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233769","13.0465","0.0003","14.1234","0.0003","15.2036","0.0003","97.5266","0.0016","92.1596","0.0016","105.396","0.0017","2669.92","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N4 O2 -","- C33 H30 N4 O2 -","- C132 H120 N16 O8 -","4","2","","Huawei Sun; Yi Zhang; Wei Yan; Wenxin Chen; Qi Lan; Siwei Liu; Long Jiang; Zhenguo Chi; Xudong Chen; Jiarui Xu","A novel ultrasound-sensitive mechanofluorochromic AIE-compound with remarkable blue-shifting and enhanced emission","Journal of Materials Chemistry C","2014","2","","5812","5817","10.1039/C4TC00553H","","","1.54184","CuKα","","0.0542","0.0482","","","0.1298","0.1366","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233770","23.0227","0.0011","7.5756","0.0003","16.2346","0.0006","90","","97.316","0.005","90","","2808.4","0.2","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C156 H108 O12 -","6","1.5","","Jin-Xing Qiu; Ye-Xin Li; Xiao-Feng Yang; Yong Nie; Zhen-Wei Zhang; Zhong-He Chen; Guo-Xin Sun","Substitution degree engineering the crystal packing and optoelectronic properties of benzofuranvinyl-substituted benzene-cored derivatives","Journal of Materials Chemistry C","2014","2","","5954","5962","10.1039/C4TC00220B","","","0.7107","MoKα","","0.0858","0.0527","","","0.1213","0.1424","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233771","4.30313","0.00016","23.6764","0.0009","25.1955","0.0009","90","","90","","90","","2566.98","0.16","174","70","174","70","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H24 O3 -","- C36 H24 O3 -","- C144 H96 O12 -","4","1","","Jin-Xing Qiu; Ye-Xin Li; Xiao-Feng Yang; Yong Nie; Zhen-Wei Zhang; Zhong-He Chen; Guo-Xin Sun","Substitution degree engineering the crystal packing and optoelectronic properties of benzofuranvinyl-substituted benzene-cored derivatives","Journal of Materials Chemistry C","2014","2","","5954","5962","10.1039/C4TC00220B","","","1.5418","CuKα","","0.1454","0.0985","","","0.2492","0.2878","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233772","33.8575","0.0016","12.0256","0.0006","8.0009","0.0005","90","","90","","90","","3257.6","0.3","293","2","293.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C46 H30 O4 -","- C46 H30 O4 -","- C184 H120 O16 -","4","0.5","","Jin-Xing Qiu; Ye-Xin Li; Xiao-Feng Yang; Yong Nie; Zhen-Wei Zhang; Zhong-He Chen; Guo-Xin Sun","Substitution degree engineering the crystal packing and optoelectronic properties of benzofuranvinyl-substituted benzene-cored derivatives","Journal of Materials Chemistry C","2014","2","","5954","5962","10.1039/C4TC00220B","","","1.5418","CuKα","","0.123","0.094","","","0.2263","0.273","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233773","15.1324","0.0005","19.6891","0.0007","9.9117","0.0003","90","","90","","90","","2953.12","0.17","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C31 H33 Ir N4 O6 -","- C31 H33 Ir N4 O6 -","- C124 H132 Ir4 N16 O24 -","4","0.5","","Jieun Lee; Hankook Oh; Jinho Kim; Ki-Min Park; Kyoung Soo Yook; Jun Yeob Lee; Youngjin Kang","Fluorine-free blue phosphorescent emitters for efficient phosphorescent organic light emitting diodes","Journal of Materials Chemistry C","2014","2","","6040","6047","10.1039/C4TC00715H","","","0.71073","MoKα","","0.0278","0.0203","","","0.0504","0.0547","","","","","","1.055","","","","has coordinates","218171","2020-10-21","18:00:00",""
"7233774","14.8259","0.0015","15.427","0.0015","16.4898","0.0016","87.206","0.005","77.253","0.004","71.403","0.004","3485.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Ir N5 O8 -","- C36 H38 Ir N5 O8 -","- C144 H152 Ir4 N20 O32 -","4","2","","Jieun Lee; Hankook Oh; Jinho Kim; Ki-Min Park; Kyoung Soo Yook; Jun Yeob Lee; Youngjin Kang","Fluorine-free blue phosphorescent emitters for efficient phosphorescent organic light emitting diodes","Journal of Materials Chemistry C","2014","2","","6040","6047","10.1039/C4TC00715H","","","0.71073","MoKα","","0.0515","0.0327","","","0.0651","0.0728","","","","","","1.007","","","","has coordinates,has disorder","218172","2020-10-21","18:00:00",""
"7233775","14.6133","0.0004","4.78734","0.00011","17.2977","0.0004","90","","105.582","0.003","90","","1165.65","0.05","293.5","0.2","293.5","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 Fe N8 -","- C32 H16 Fe N8 -","- C64 H32 Fe2 N16 -","2","0.5","","L. A. Rochford; D. S. Keeble; O. J. Holmes; G. J. Clarkson; T. S. Jones","Controlling templating effects at the organic/inorganic interface using (111) oriented copper iodide","Journal of Materials Chemistry C","2014","2","","6056","6060","10.1039/C4TC00759J","","","0.71073","MoKα","","0.0747","0.0513","","","0.1118","0.1227","","","","","","1.058","","","","has coordinates","218173","2020-10-21","18:00:00",""
"7233776","20.1093","0.0005","4.6783","0.0001","14.0181","0.0004","90","","95.877","0.001","90","","1311.85","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H10 Br2 F12 N2 -","- C28 H10 Br2 F12 N2 -","- C56 H20 Br4 F24 N4 -","2","0.5","","Seong Gi Jo; Dong Hyuk Park; Bong-Gi Kim; Sungbaek Seo; Suk Joong Lee; Jeongyong Kim; Jinsang Kim; Jinsoo Joo","Dual-mode waveguiding of Raman and luminescence signals in a crystalline organic microplate","Journal of Materials Chemistry C","2014","2","","6077","6083","10.1039/C4TC00409D","","","0.71073","MoKα","","0.0233","0.02","","","0.0513","0.0524","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233777","12.30304","","7.10454","","11.71603","","90","","134.442","","90","","731.143","","294","","294","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba Ca6 O17 P4 -","- Ba Ca6 O17 P4 -","- Ba2 Ca12 O34 P8 -","2","0.25","","Naoyuki Komuro; Masayoshi Mikami; Yasuo Shimomura; Erica G. Bithell; Anthony K. Cheetham","Synthesis, structure and optical properties of europium doped calcium barium phosphate - a novel phosphor for solid-state lighting","Journal of Materials Chemistry C","2014","2","","6084","6089","10.1039/C4TC00732H","powder diffraction","","0.82713","synchrotron","","","","","","","","","","","","","","","","","has coordinates","218175","2020-10-21","18:00:00",""
"7233778","9.7","0.008","8.569","0.006","17.378","0.014","90","","105.825","0.013","90","","1389.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Isopropylbenzylammonium Dichloroacetate","","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Yuanyuan Tang; Sangen Zhao; Junhua Luo","Switchable dielectric behaviour associated with above room-temperature phase transition in N-isopropylbenzylammonium dichloroacetate (N-IPBADC)","Journal of Materials Chemistry C","2014","2","","6134","6139","10.1039/C4TC00613E","","","0.71073","MoKα","","0.0722","0.0562","","","0.1507","0.1688","","","","","","1.086","","","","has coordinates","218176","2020-10-21","18:00:00",""
"7233779","9.7598","0.0003","8.5995","0.0002","17.5609","0.0006","90","","106.105","0.004","90","","1416.03","0.08","323","2","323","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Isopropylbenzylammonium Dichloroacetate","","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Yuanyuan Tang; Sangen Zhao; Junhua Luo","Switchable dielectric behaviour associated with above room-temperature phase transition in N-isopropylbenzylammonium dichloroacetate (N-IPBADC)","Journal of Materials Chemistry C","2014","2","","6134","6139","10.1039/C4TC00613E","","","0.71073","MoKα","","0.0879","0.0688","","","0.1916","0.2137","","","","","","1.073","","","","has coordinates","218177","2020-10-21","18:00:00",""
"7233780","9.7856","0.0005","8.6119","0.0003","17.6992","0.0011","90","","106.549","0.005","90","","1429.77","0.13","343","2","343","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Isopropylbenzylammonium Dichloroacetate","","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Yuanyuan Tang; Sangen Zhao; Junhua Luo","Switchable dielectric behaviour associated with above room-temperature phase transition in N-isopropylbenzylammonium dichloroacetate (N-IPBADC)","Journal of Materials Chemistry C","2014","2","","6134","6139","10.1039/C4TC00613E","","","0.71073","MoKα","","0.106","0.0824","","","0.2368","0.2664","","","","","","1.088","","","","has coordinates","218178","2020-10-21","18:00:00",""
"7233781","9.8256","0.0009","8.6329","0.0005","17.8841","0.0019","90","","107.061","0.008","90","","1450.2","0.2","358","2","358","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Isopropylbenzylammonium Dichloroacetate","","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Yuanyuan Tang; Sangen Zhao; Junhua Luo","Switchable dielectric behaviour associated with above room-temperature phase transition in N-isopropylbenzylammonium dichloroacetate (N-IPBADC)","Journal of Materials Chemistry C","2014","2","","6134","6139","10.1039/C4TC00613E","","","0.71073","MoKα","","0.081","0.0475","","","0.123","0.1526","","","","","","1.031","","","","has coordinates","218179","2020-10-21","18:00:00",""
"7233782","9.7987","0.0007","8.632","0.0004","17.8455","0.0015","90","","106.919","0.007","90","","1444.08","0.18","356","2","356","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Isopropylbenzylammonium Dichloroacetate","","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Yuanyuan Tang; Sangen Zhao; Junhua Luo","Switchable dielectric behaviour associated with above room-temperature phase transition in N-isopropylbenzylammonium dichloroacetate (N-IPBADC)","Journal of Materials Chemistry C","2014","2","","6134","6139","10.1039/C4TC00613E","","","0.71073","MoKα","","0.1167","0.0889","","","0.2759","0.3091","","","","","","1.102","","","","has coordinates","218180","2020-10-21","18:00:00",""
"7233783","9.4606","0.0008","19.8658","0.0017","12.577","0.0011","90","","107.686","0.002","90","","2252","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F6 N5 O5 Os -","- C19 H15 F6 N5 O5 Os -","- C76 H60 F24 N20 O20 Os4 -","4","1","","Jia-Ling Liao; Yun Chi; Yu-De Su; Hao-Xiang Huang; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Os(II) metal phosphors bearing tridentate 2,6-di(pyrazol-3-yl)pyridine chelate: synthetic design, characterization and application in OLED fabrication","Journal of Materials Chemistry C","2014","2","","6269","6282","10.1039/C4TC00865K","","","0.71073","MoKα","","0.0357","0.0312","","","0.0784","0.0808","","","","","","1.064","","","","has coordinates","218181","2020-10-21","18:00:00",""
"7233784","20.3095","0.0011","18.5039","0.001","22.1017","0.0012","90","","114.965","0.0011","90","","7529.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 F6 N5 O Os P2 -","- C40 H31 F6 N5 O Os P2 -","- C320 H248 F48 N40 O8 Os8 P16 -","8","2","","Jia-Ling Liao; Yun Chi; Yu-De Su; Hao-Xiang Huang; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Os(II) metal phosphors bearing tridentate 2,6-di(pyrazol-3-yl)pyridine chelate: synthetic design, characterization and application in OLED fabrication","Journal of Materials Chemistry C","2014","2","","6269","6282","10.1039/C4TC00865K","","","0.71073","MoKα","","0.0378","0.0308","","","0.0658","0.0684","","","","","","1.069","","","","has coordinates,has disorder","218182","2020-10-21","18:00:00",""
"7233785","12.6562","0.0006","14.183","0.0007","14.3426","0.0007","67.874","0.001","82.5019","0.0011","67.827","0.001","2208.37","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H40 F6 N6 O2 Os P2 -","- C48 H40 F6 N6 O2 Os P2 -","- C96 H80 F12 N12 O4 Os2 P4 -","2","1","","Jia-Ling Liao; Yun Chi; Yu-De Su; Hao-Xiang Huang; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Os(II) metal phosphors bearing tridentate 2,6-di(pyrazol-3-yl)pyridine chelate: synthetic design, characterization and application in OLED fabrication","Journal of Materials Chemistry C","2014","2","","6269","6282","10.1039/C4TC00865K","","","0.71073","MoKα","","0.0369","0.0322","","","0.0812","0.0835","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233786","10.9693","0.0005","16.507","0.0007","20.1948","0.0009","71.3583","0.001","75.9862","0.001","72.9983","0.001","3268.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 F12 N16 O7 Os2 -","- C64 H50 F12 N16 O7 Os2 -","- C128 H100 F24 N32 O14 Os4 -","2","1","","Jia-Ling Liao; Yun Chi; Yu-De Su; Hao-Xiang Huang; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Os(II) metal phosphors bearing tridentate 2,6-di(pyrazol-3-yl)pyridine chelate: synthetic design, characterization and application in OLED fabrication","Journal of Materials Chemistry C","2014","2","","6269","6282","10.1039/C4TC00865K","","","0.71073","MoKα","","0.049","0.0373","","","0.0753","0.0831","","","","","","1.033","","","","has coordinates,has disorder","218184","2020-10-21","18:00:00",""
"7233788","21.383","0.001","6.1278","0.0003","5.1462","0.0003","90","","90","","90","","674.31","0.06","285","2","285","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0397","0.0338","","","0.0875","0.0919","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233789","21.4311","0.0011","6.1298","0.0003","5.1489","0.0003","90","","90","","90","","676.4","0.06","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0409","0.0338","","","0.0847","0.0895","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233790","21.4235","0.0004","6.1275","0.0001","5.1487","0.0001","90","","90","","90","","675.88","0.02","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0411","0.0343","","","0.0804","0.0825","","","","","","1.244","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233791","21.363","0.005","6.141","0.005","5.1404","0.0011","90","","90","","90","","674.4","0.6","296","2","296","2","70000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0778","0.0571","","","0.1136","0.128","","","","","","1.171","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233792","21.325","0.005","6.152","0.006","5.1306","0.001","90","","90","","90","","673.1","0.7","296","2","296","2","120000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0862","0.0621","","","0.078","0.0846","","","","","","1.308","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233793","21.267","0.005","6.133","0.005","5.1284","0.0012","90","","90","","90","","668.9","0.6","296","2","296","2","210000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0591","0.0499","","","0.1061","0.1137","","","","","","1.164","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233794","21.215","0.004","6.128","0.005","5.118","0.0011","90","","90","","90","","665.4","0.6","296","2","296","2","260000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0626","0.0457","","","0.0969","0.1076","","","","","","1.151","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233795","21.148","0.005","6.121","0.005","5.1082","0.0012","90","","90","","90","","661.2","0.6","296","2","296","2","340000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0697","0.0512","","","0.1003","0.1104","","","","","","1.203","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233796","21.101","0.004","6.112","0.005","5.099","0.0009","90","","90","","90","","657.6","0.6","296","2","296","2","400000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine_N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0674","0.0554","","","0.0943","0.0994","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233797","20.994","0.008","6.105","0.007","5.0903","0.0018","90","","90","","90","","652.4","0.8","296","2","296","2","520000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine_N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0777","0.0555","","","0.1165","0.1276","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233798","20.771","0.004","6.075","0.004","5.0621","0.001","90","","90","","90","","638.8","0.5","296","2","296","2","830000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0751","0.0621","","","0.0912","0.095","","","","","","1.22","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233799","20.9533","0.0007","6.1092","0.0002","5.1332","0.0002","90","","90","","90","","657.09","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0305","0.0282","","","0.0739","0.0764","","","","","","1.144","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233800","20.9915","0.0008","6.1114","0.0002","5.1337","0.0002","90","","90","","90","","658.59","0.04","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0298","0.0283","","","0.0752","0.0765","","","","","","1.195","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233801","21.0223","0.0008","6.1129","0.0002","5.1343","0.0002","90","","90","","90","","659.79","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0305","0.028","","","0.0754","0.0768","","","","","","1.127","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233802","21.0588","0.0008","6.1144","0.0002","5.1343","0.0002","90","","90","","90","","661.1","0.04","165","2","165","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0313","0.0281","","","0.0748","0.0775","","","","","","1.118","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233803","21.0975","0.0009","6.1157","0.0003","5.1353","0.0002","90","","90","","90","","662.59","0.05","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0329","0.0298","","","0.0767","0.0794","","","","","","1.118","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233804","21.1324","0.0008","6.1162","0.0002","5.1363","0.0002","90","","90","","90","","663.87","0.04","195","2","195","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0334","0.0302","","","0.079","0.0832","","","","","","1.155","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233805","21.1719","0.0009","6.119","0.0003","5.1373","0.0003","90","","90","","90","","665.54","0.06","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0347","0.0307","","","0.0811","0.0845","","","","","","1.152","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233806","21.216","0.0009","6.1203","0.0003","5.1381","0.0003","90","","90","","90","","667.17","0.06","225","2","225","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0352","0.0316","","","0.0796","0.0828","","","","","","1.173","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233807","21.2598","0.0009","6.1219","0.0003","5.1391","0.0003","90","","90","","90","","668.86","0.06","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0364","0.0311","","","0.0804","0.0859","","","","","","1.13","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233808","21.2997","0.001","6.1229","0.0003","5.1413","0.0003","90","","90","","90","","670.51","0.06","255","2","255","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0371","0.0319","","","0.0845","0.0876","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233809","21.343","0.001","6.1262","0.0003","5.143","0.0003","90","","90","","90","","672.45","0.06","270","2","270","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0374","0.0314","","","0.0813","0.0863","","","","","","1.119","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233810","20.5114","0.0019","6.016","0.004","5.005","0.002","90","","90","","90","","617.6","0.5","296","2","296","2","1290000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0564","0.0405","","","0.0662","0.0709","","","","","","1.173","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233811","20.343","0.002","6.001","0.004","4.9855","0.0017","90","","90","","90","","608.6","0.5","296","2","296","2","1580000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0397","0.0312","","","0.056","0.0598","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233812","20.141","0.002","5.973","0.005","4.965","0.0018","90","","90","","90","","597.3","0.5","296","2","296","2","2040000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0422","0.0343","","","0.07","0.0757","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233813","19.878","0.003","5.938","0.004","4.9394","0.0014","90","","90","","90","","583","0.4","296","2","296","2","2680000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0428","0.0363","","","0.0758","0.0793","","","","","","1.143","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233814","19.549","0.0016","5.901","0.004","4.9131","0.0014","90","","90","","90","","566.8","0.4","296","2","296","2","3570000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0451","0.0388","","","0.0776","0.0809","","","","","","1.205","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233820","20.076","0.008","49.223","0.019","8.695","0.003","90","","90","","90","","8592","6","","","100","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C43 H56 N2 O5 -","- C46 N3 O6 -","- C368 N24 O48 -","8","1","","Rekha Narayan; Prashant Kumar; K. S. Narayan; S. K. Asha","Supramolecular P4VP-pentadecylphenol naphthalenebisimide comb-polymer: mesoscopic organization and charge transport properties","Journal of Materials Chemistry C","2014","2","","6511","6519","10.1039/C4TC00611A","","x-ray","0.71069","MoKα","","","0.12","","","","","","","","","","1.526","","","","has coordinates","218250","2020-10-21","18:00:00",""
"7233821","29.724","0.004","24.623","0.003","20.687","0.003","90","","126.76","0.001","90","","12130","3","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C76 H127 Co17 Mo16 N18 O132 P24 -","- C76 H72 Co17 Mo16 N18 O132 P24 -","- C152 H144 Co34 Mo32 N36 O264 P48 -","2","0.25","","Hao Miao; Hong-Xiang Wan; Ming Liu; Yu Zhang; Xiao Xu; Wei-Wei Ju; Dun-ru Zhu; Yan Xu","Two novel organic-inorganic hybrid molybdenum(v) cobalt/nickel phosphate compounds based on isolated nanosized Mo/Co(Ni)/P cluster wheels","Journal of Materials Chemistry C","2014","2","","6554","6560","10.1039/C4TC00944D","","","0.71073","MoKα","","0.11","0.0695","","","0.2152","0.2403","","","","","","1.046","","","","has coordinates,has disorder","218251","2020-10-21","18:00:00",""
"7233822","20.6031","0.0018","21.8327","0.0019","25.821","0.002","90","","107.864","0.001","90","","11054.9","1.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H167 Mo16 N28 Ni17 O143 P22 -","- C98 H107 Mo16 N28 Ni17 O143 P22 -","- C196 H214 Mo32 N56 Ni34 O286 P44 -","2","0.5","","Hao Miao; Hong-Xiang Wan; Ming Liu; Yu Zhang; Xiao Xu; Wei-Wei Ju; Dun-ru Zhu; Yan Xu","Two novel organic-inorganic hybrid molybdenum(v) cobalt/nickel phosphate compounds based on isolated nanosized Mo/Co(Ni)/P cluster wheels","Journal of Materials Chemistry C","2014","2","","6554","6560","10.1039/C4TC00944D","","","0.71073","MoKα","","0.1297","0.0615","","","0.1493","0.1707","","","","","","1","","","","has coordinates,has disorder","218252","2020-10-21","18:00:00",""
"7233823","13.045","0.0005","8.447","0.0004","13.703","0.0005","90","","91.593","0.0012","90","","1509.37","0.11","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","2","","Yulia B. Borozdina; Evgeny Mostovich; Volker Enkelmann; Bernd Wolf; Pham T. Cong; Ulrich Tutsch; Michael Lang; Martin Baumgarten","Interacting networks of purely organic spin-1/2 dimers","Journal of Materials Chemistry C","2014","2","","6618","6629","10.1039/C4TC00399C","","","0.71073","MoKα","","0.2194","0.0941","","0.2797","0.0942","0.0942","","","","","","5.6334","","","","has coordinates","218253","2020-10-21","18:00:00",""
"7233824","8.1768","0.0002","19.0191","0.0008","8.6983","0.0003","90","","103.4","0.002","90","","1315.89","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Yulia B. Borozdina; Evgeny Mostovich; Volker Enkelmann; Bernd Wolf; Pham T. Cong; Ulrich Tutsch; Michael Lang; Martin Baumgarten","Interacting networks of purely organic spin-1/2 dimers","Journal of Materials Chemistry C","2014","2","","6618","6629","10.1039/C4TC00399C","","","0.71073","MoKα","","0.1048","0.0732","","0.0786","0.0724","0.0724","","","","","","0.9848","","","","has coordinates","218254","2020-10-21","18:00:00",""
"7233825","6.0834","0.0004","11.2581","0.0005","19.1236","0.0009","90","","90.832","0.003","90","","1309.59","0.12","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Yulia B. Borozdina; Evgeny Mostovich; Volker Enkelmann; Bernd Wolf; Pham T. Cong; Ulrich Tutsch; Michael Lang; Martin Baumgarten","Interacting networks of purely organic spin-1/2 dimers","Journal of Materials Chemistry C","2014","2","","6618","6629","10.1039/C4TC00399C","","","0.71073","MoKα","","0.0739","0.0453","","0.0592","0.055","0.055","","","","","","1.0812","","","","has coordinates","218255","2020-10-21","18:00:00",""
"7233826","13.1356","0.0012","10.4952","0.001","10.6469","0.001","90","","90","","90","","1467.8","0.2","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H11 N O3 -","- C20 H11 N O3 -","- C80 H44 N4 O12 -","4","1","","Sunil Kumar; Punita Singh; Ritu Srivastava; Rik Rani Koner; Avijit Pramanik; Jomon Mathew; Sougata Sinha; Madhu Rawat; R. S. Anand; Subrata Ghosh","Engineering fused coumarin dyes: a molecular level understanding of aggregation quenching and tuning electroluminescence via alkyl chain substitution","Journal of Materials Chemistry C","2014","2","","6637","6647","10.1039/C4TC00807C","","","0.71073","MoKα","","0.0773","0.0545","","","0.1357","0.1817","","","","","","1.161","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233827","8.0479","0.0019","8.0479","0.0019","9.904","0.003","90","","90","","120","","555.5","0.3","296","2","296","2","","","","","","","","3","P 32","P 32","145","","","","- Br3 Cs Hg -","- Br3 Cs Hg -","- Br9 Cs3 Hg3 -","3","1","","Songwei Lv; Qi Wu; Xianggao Meng; Lei Kang; Cheng Zhong; Zheshuai Lin; Zhanggui Hu; Xingguo Chen; Jingui Qin","A promising new nonlinear optical crystal with high laser damage threshold for application in the IR region: synthesis, crystal structure and properties of noncentrosymmetric CsHgBr3","Journal of Materials Chemistry C","2014","2","","6796","6801","10.1039/C4TC00565A","","","0.71073","MoKα","","0.1143","0.0687","","","0.1582","0.1932","","","","","","0.884","","","","has coordinates","218257","2020-10-21","18:00:00",""
"7233828","11.121","0.002","16.819","0.003","16.495","0.003","90","","94.15","0.03","90","","3077.2","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 N2 O2 P -","- C39 H29 N2 O2 P -","- C156 H116 N8 O8 P4 -","4","1","","Kai Wang; Shipan Wang; Jinbei Wei; Shanyong Chen; Dong Liu; Yu Liu; Yue Wang","New multifunctional phenanthroimidazole-phosphine oxide hybrids for high-performance red, green and blue electroluminescent devices","Journal of Materials Chemistry C","2014","2","","6817","6826","10.1039/C4TC00749B","","","0.71073","MoKα","","0.1182","0.0523","","","0.1153","0.1403","","","","","","0.975","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233829","23.8655","0.001","34.2298","0.001","17.5645","0.0005","90","","90","","90","","14348.6","0.8","296","2","296","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C42 H30 F6 Ir N4 P -","- C42 H30 F6 Ir N4 P -","- C672 H480 F96 Ir16 N64 P16 -","16","1","","Gabriel E. Schneider; Antonio Pertegas; Edwin C. Constable; Catherine E. Housecroft; Nik Hostettler; Collin D. Morris; Jennifer A. Zampese; Henk J. Bolink; Jose M. Junquera-Hernandez; Enrique Orti; Michele Sessolo","Bright and stable light-emitting electrochemical cells based on an intramolecularly pi-stacked, 2-naphthyl-substituted iridium complex","Journal of Materials Chemistry C","2014","2","","7047","7055","10.1039/C4TC01171F","","","1.54178","CuKα","","0.0556","0.0439","","","0.1084","0.1222","","","","","","1.083","","","","has coordinates,has disorder","218259","2020-10-21","18:00:00",""
"7233830","12.21","0.002","12.505","0.003","15.53","0.003","101.76","0.03","108.27","0.03","106.81","0.03","2039.2","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Be Cl6 N2 O6 -","- C38 H38 Be Cl6 N2 O6 -","- C76 H76 Be2 Cl12 N4 O12 -","2","1","","Xiao Cheng; Zhenyu Zhang; Houyu Zhang; Shenghua Han; Kaiqi Ye; Lu Wang; Hongyu Zhang; Yue Wang","CEE-active red/near-infrared fluorophores with triple-channel solid-state 'ON/OFF' fluorescence switching","Journal of Materials Chemistry C","2014","2","","7385","7391","10.1039/C4TC01099J","","","0.71073","MoKα","","0.1174","0.072","","","0.2091","0.2425","","","","","","1.099","","","","has coordinates,has disorder","218260","2020-10-21","18:00:00",""
"7233831","8.8993","0.0006","12.6608","0.0011","24.2498","0.0019","99.206","0.002","99.022","0.002","96.96","0.001","2633.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 N2 O12 S2 -","- C52 H68 N2 O12 S2 -","- C104 H136 N4 O24 S4 -","2","1","","Junjie He; Jingxian He; Tingting Wang; Heping Zeng","Ion-induced cycle opening of a diarylethene and its application on visual detection of Cu2+ and Hg2+ and keypad lock","Journal of Materials Chemistry C","2014","2","","7531","7540","10.1039/C4TC01215A","","","0.71073","MoKα","","0.1622","0.0871","","","0.2233","0.2596","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233832","5.8953","0.0007","7.5358","0.0009","35.049","0.004","90","","90.563","0.007","90","","1557","0.3","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C22 H14 S2 -","- C22 H14 S2 -","- C88 H56 S8 -","4","2","","Jangdae Youn; Peng-Yi Huang; Shiming Zhang; Chiao-Wei Liu; Sureshraju Vegiraju; Kumaresan Prabakaran; Charlotte Stern; Choongik Kim; Ming-Chou Chen; Antonio Facchetti; Tobin J. Marks","Functionalized benzothieno[3,2 b]thiophenes (BTTs) for high performance organic thin-film transistors (OTFTs)","Journal of Materials Chemistry C","2014","2","","7599","7607","10.1039/C4TC01115E","","","1.54178","CuKα","","0.067","0.0493","","","0.1166","0.1341","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233833","8.273","0.001","6.0598","0.0004","12.25","0.0007","90","","101.07","0.01","90","","602.7","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F2 N2 O2 -","- C16 H8 F2 N2 O2 -","- C32 H16 F4 N4 O4 -","2","0.5","","I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin","Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics","Journal of Materials Chemistry C","2014","2","","7621","7631","10.1039/C4TC00550C","","","0.85507","synchrotron","","0.0611","0.053","","","0.144","0.1497","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233834","28.211","0.001","8.6741","0.0007","12.6299","0.0006","90","","90","","90","","3090.6","0.3","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C18 H8 F6 N2 O2 -","- C18 H8 F6 N2 O2 -","- C144 H64 F48 N16 O16 -","8","1","","I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin","Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics","Journal of Materials Chemistry C","2014","2","","7621","7631","10.1039/C4TC00550C","","","0.84344","","","0.0396","0.0392","","","0.1078","0.1084","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233835","8.249","0.001","6.0281","0.0007","12.284","0.001","90","","94.35","0.01","90","","609.07","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F2 N2 O2 -","- C16 H8 F2 N2 O2 -","- C32 H16 F4 N4 O4 -","2","0.5","","I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin","Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics","Journal of Materials Chemistry C","2014","2","","7621","7631","10.1039/C4TC00550C","","","0.84344","synchrotron","","0.0603","0.0539","","","0.1358","0.1396","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233836","13.1129","0.0008","4.5375","0.0002","11.7091","0.0007","90","","110.09","0.005","90","","654.3","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Cl2 N2 O2 -","- C16 H8 Cl2 N2 O2 -","- C32 H16 Cl4 N4 O4 -","2","0.5","","I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin","Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics","Journal of Materials Chemistry C","2014","2","","7621","7631","10.1039/C4TC00550C","","","0.71073","MoKα","","0.0814","0.0579","","","0.1125","0.1194","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233837","12.708","0.001","4.6341","0.0004","11.596","0.001","90","","115.352","0.007","90","","617.12","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 F4 N2 O2 -","- C16 H6 F4 N2 O2 -","- C32 H12 F8 N4 O4 -","2","0.5","","I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin","Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics","Journal of Materials Chemistry C","2014","2","","7621","7631","10.1039/C4TC00550C","","","0.85507","synchrotron","","0.0732","0.0643","","","0.1507","0.1543","","","","","","1.156","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233838","11.4719","0.0005","16.3375","0.0005","9.0945","0.0004","90","","101.461","0.005","90","","1670.52","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-(4-bromophenyl)-6-methoxy-1H-indene- 2-carboxylate","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Andrea Cappelli; Francesca Villafiorita-Monteleone; Giorgio Grisci; Marco Paolino; Vincenzo Razzano; Giuseppe Fabio; Germano Giuliani; Alessandro Donati; Raniero Mendichi; Antonella Caterina Boccia; Mariacecilia Pasini; Chiara Botta","Highly emissive supramolecular assemblies based on pi-stacked polybenzofulvene hosts and a benzothiadiazole guest","Journal of Materials Chemistry C","2014","2","","7897","7905","10.1039/C4TC01200C","","","0.71073","MoKα","","0.1181","0.0333","","","0.041","0.0461","","","","","","0.655","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233839","8.835","0.0004","8.8813","0.0005","11.3291","0.0006","109.556","0.005","92.68","0.004","93.696","0.004","833.72","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3-(4-bromophenyl)-6-methoxy-1-oxo-1H-indene- 2-carboxylate","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C38 H30 Br2 O8 -","2","1","","Andrea Cappelli; Francesca Villafiorita-Monteleone; Giorgio Grisci; Marco Paolino; Vincenzo Razzano; Giuseppe Fabio; Germano Giuliani; Alessandro Donati; Raniero Mendichi; Antonella Caterina Boccia; Mariacecilia Pasini; Chiara Botta","Highly emissive supramolecular assemblies based on pi-stacked polybenzofulvene hosts and a benzothiadiazole guest","Journal of Materials Chemistry C","2014","2","","7897","7905","10.1039/C4TC01200C","","","0.71073","MoKα","","0.096","0.0382","","","0.0745","0.0807","","","","","","0.777","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233840","8.626","0.005","19.658","0.005","12.099","0.005","90","0.005","107.812","0.005","90","0.005","1953.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-oxo-3-phenyl-6-(trifluoromethylsulfonyloxy)-1H-indene-2-carboxylate","","- C19 H13 F3 O6 S -","- C19 H13 F3 O6 S -","- C76 H52 F12 O24 S4 -","4","1","","Andrea Cappelli; Francesca Villafiorita-Monteleone; Giorgio Grisci; Marco Paolino; Vincenzo Razzano; Giuseppe Fabio; Germano Giuliani; Alessandro Donati; Raniero Mendichi; Antonella Caterina Boccia; Mariacecilia Pasini; Chiara Botta","Highly emissive supramolecular assemblies based on pi-stacked polybenzofulvene hosts and a benzothiadiazole guest","Journal of Materials Chemistry C","2014","2","","7897","7905","10.1039/C4TC01200C","","","0.71073","MoKα","","0.1819","0.0602","","","0.1374","0.1614","","","","","","0.769","","","","has coordinates,has disorder","218270","2020-10-21","18:00:00",""
"7233841","8.9147","0.0003","11.1228","0.0005","27.3142","0.0012","81.073","0.004","83.401","0.003","69.003","0.004","2492.74","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 6-(9,9-dimethyl-9H-fluoren-2-yl)-1-oxo-3-phenyl-1H-indene- 2-carboxylate","","- C33 H26 O3 -","- C33 H26 O3 -","- C132 H104 O12 -","4","2","","Andrea Cappelli; Francesca Villafiorita-Monteleone; Giorgio Grisci; Marco Paolino; Vincenzo Razzano; Giuseppe Fabio; Germano Giuliani; Alessandro Donati; Raniero Mendichi; Antonella Caterina Boccia; Mariacecilia Pasini; Chiara Botta","Highly emissive supramolecular assemblies based on pi-stacked polybenzofulvene hosts and a benzothiadiazole guest","Journal of Materials Chemistry C","2014","2","","7897","7905","10.1039/C4TC01200C","","","0.71073","MoKα","","0.1222","0.0536","","","0.1225","0.134","","","","","","0.911","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233850","4.916","0.005","8.38","0.009","35.58","0.04","86.97","0.03","87.29","0.03","75.07","0.03","1413","3","170","2","170","2","","","","","","","","4","P -1","-P 1","2","[C12C12triaz] Br","1-dodecyl-3-dodecyltriazolium bromide","","- C26 H52 Br N3 -","- C26 H52 Br N3 -","- C52 H104 Br2 N6 -","2","1","","Kathrin Stappert; Derya Unal; Bert Mallick; Anja-Verena Mudring","New triazolium based ionic liquid crystals","Journal of Materials Chemistry C","2014","2","","7976","7986","10.1039/C3TC31366B","","","0.71073","MoKα","","0.137","0.0705","","","0.14","0.2102","","","","","","1.008","","","","has coordinates","218296","2020-10-21","18:00:00",""
"7233851","23.797","0.002","9.0374","0.0006","15.9949","0.0015","90","","107.64","","90","","3278.2","0.5","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[C12C12triaz] I3","1-dodecyl-3-dodecyltriazolium triiodide","","- C26 H52 I3 N3 -","- C26 H52 I3 N3 -","- C104 H208 I12 N12 -","4","1","","Kathrin Stappert; Derya Unal; Bert Mallick; Anja-Verena Mudring","New triazolium based ionic liquid crystals","Journal of Materials Chemistry C","2014","2","","7976","7986","10.1039/C3TC31366B","","","0.71073","MoKα","","0.0498","0.0244","","","0.0458","0.0486","","","","","","0.753","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233852","8.471","0.005","9.05","0.005","22.523","0.005","90","","93.286","0.005","90","","1723.8","1.4","323","2","323","2","","","","","","","","4","P 1 21 1","P 2yb","4","[C12C12triaz] I3","1-dodecyl-3-dodecyltriazolium triiodide","","- C26 H52 I3 N3 -","- C26 H52 I3 N3 -","- C52 H104 I6 N6 -","2","1","","Kathrin Stappert; Derya Unal; Bert Mallick; Anja-Verena Mudring","New triazolium based ionic liquid crystals","Journal of Materials Chemistry C","2014","2","","7976","7986","10.1039/C3TC31366B","","","0.71073","MoKα","","0.1179","0.039","","","0.105","0.1276","","","","","","0.685","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233853","13.1154","0.0016","6.6813","0.0005","29.007","0.003","90","","90","","90","","2541.8","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H22 Eu2 N4 O14 -","- C20 H22 Eu2 N4 O14 -","- C80 H88 Eu8 N16 O56 -","4","1","","Yun-Hu Han; Chong-Bin Tian; Qiao-Hong Li; Shao-Wu Du","Highly chemical and thermally stable luminescent EuxTb1-x MOF materials for broad-range pH and temperature sensors","Journal of Materials Chemistry C","2014","2","","8065","8070","10.1039/C4TC01336K","","","0.71073","MoKα","","0.0748","0.0705","","","0.1646","0.1679","","","","","","1.125","","","","has coordinates","218299","2020-10-21","18:00:00",""
"7233854","13.149","0.002","6.6803","0.0012","29.165","0.005","90","","90","","90","","2561.8","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H17 N4 O14 Tb2 -","- C20 H22 N4 O14 Tb2 -","- C80 H88 N16 O56 Tb8 -","4","1","","Yun-Hu Han; Chong-Bin Tian; Qiao-Hong Li; Shao-Wu Du","Highly chemical and thermally stable luminescent EuxTb1-x MOF materials for broad-range pH and temperature sensors","Journal of Materials Chemistry C","2014","2","","8065","8070","10.1039/C4TC01336K","","","0.71073","MoKα","","0.0511","0.0442","","","0.0995","0.1035","","","","","","1.083","","","","has coordinates,has disorder","218300","2020-10-21","18:00:00",""
"7233855","10.283","0.004","10.34","0.004","16.018","0.007","103.299","0.005","104.031","0.005","100.895","0.007","1553","1.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","(TTF1)(C60)(CS2)","(TTF1)(C60)(CS2)","","- C95 H28 O4 S10 -","- C95 H28 O4 S10 -","- C95 H28 O4 S10 -","1","0.5","","Jibin Sun; Xiaofeng Lu; Manabu Ishikawa; Yoshiaki Nakano; Shangxi Zhang; Jinlian Zhao,; Yongliang Shao; Zhaohui Wang; Hideki Yamochi; Xiangfeng Shao","Inclusion complexes of fullerenes with flexible tetrathiafulvalene derivatives bearing four aryls through sulfur bridges","Journal of Materials Chemistry C","2014","2","","8071","8076","10.1039/C4TC01362J","","","0.71075","MoKα","","0.0578","0.043","","","0.1177","0.1236","","","","","","0.981","","","","has coordinates","218301","2020-10-21","18:00:00",""
"7233856","10.346","0.008","10.452","0.009","13.714","0.012","88.75","0.03","86.12","0.03","79.37","0.03","1454","2","113","2","113","2","","","","","","","","3","P -1","-P 1","2","(TTF2)(C60)","(TTF2)(C60)","","- C94 H28 S8 -","- C94 H28 S8 -","- C94 H28 S8 -","1","0.5","","Jibin Sun; Xiaofeng Lu; Manabu Ishikawa; Yoshiaki Nakano; Shangxi Zhang; Jinlian Zhao,; Yongliang Shao; Zhaohui Wang; Hideki Yamochi; Xiangfeng Shao","Inclusion complexes of fullerenes with flexible tetrathiafulvalene derivatives bearing four aryls through sulfur bridges","Journal of Materials Chemistry C","2014","2","","8071","8076","10.1039/C4TC01362J","","","0.71075","MoKα","","0.1175","0.0737","","","0.1652","0.1942","","","","","","0.994","","","","has coordinates","218302","2020-10-21","18:00:00",""
"7233857","21.5671","0.0018","21.3847","0.0017","45.525","0.004","90","","90.307","0.001","90","","20996","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(TTF3)(C70)2(PhCl)2","(TTF3)(C70)2(PhCl)2","","- C186 H38 Cl2 S8 -","- C186 H38 Cl2 S8 -","- C1488 H304 Cl16 S64 -","8","2","","Jibin Sun; Xiaofeng Lu; Manabu Ishikawa; Yoshiaki Nakano; Shangxi Zhang; Jinlian Zhao,; Yongliang Shao; Zhaohui Wang; Hideki Yamochi; Xiangfeng Shao","Inclusion complexes of fullerenes with flexible tetrathiafulvalene derivatives bearing four aryls through sulfur bridges","Journal of Materials Chemistry C","2014","2","","8071","8076","10.1039/C4TC01362J","","","0.71073","MoKα","","0.1321","0.082","","","0.1739","0.1911","","","","","","1.097","","","","has coordinates","218303","2020-10-21","18:00:00",""
"7233858","6.732","0.0009","4.781","0.0002","28.098","0.001","90","","91.932","0.009","90","","903.84","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DTI","6,6?-dithienylindigo","","- C24 H14 N2 O2 S2 -","- C24 H14 N2 O2 S2 -","- C48 H28 N4 O4 S4 -","2","0.5","","E. D. Glowacki; D. H. Apaydin; Z. Bozkurt; U. Monkowius; K. Demirak; E. Tordin; M. Himmelsbach; C. Schwarzinger; M. Burian; R. T. Lechner; N. Demitri; G. Voss; N. S. Sariciftci","Air-stable organic semiconductors based on 6,6'-dithienylindigo and polymers thereof","Journal of Materials Chemistry C","2014","2","","8089","8097","10.1039/C4TC00651H","","x-ray","0.7","Synchrotron","","0.0469","0.0431","","","0.1202","0.1238","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233859","11.371","0.002","14.464","0.003","13.974","0.003","90","","90","","90","","2298.3","0.8","203","2","203","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C29 H29 N -","- C29 H29 N -","- C116 H116 N4 -","4","0.5","","Ashley A. Buelt; Naresh C. Osti; Yamin Htet; Catherine A. Conrad; Mina F. Shehata; Ruttayapon Potai; Andrew G. Tennyson; Dvora Perahia; Rhett C. Smith","Conjugated polymers with m-pyridine linkages: synthesis, photophysics, solution structure and film morphology","Journal of Materials Chemistry C","2014","2","","8113","8121","10.1039/C4TC00419A","","","0.71073","MoKα","","0.0789","0.0629","","","0.1655","0.1878","","","","","","1.08","","","","has coordinates","218305","2020-10-21","18:00:00",""
"7233860","14.53","0.005","7.119","0.002","17.336","0.006","90","","92.113","0.005","90","","1792","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 B N S4 -","- C20 H16 B N S4 -","- C80 H64 B4 N4 S16 -","4","1","","Xiao-Ye Wang; Fang-Dong Zhuang; Xu Zhou; Dong-Chu Yang; Jie-Yu Wang; Jian Pei","Influence of alkyl chain length on the solid-state properties and transistor performance of BN-substituted tetrathienonaphthalenes","Journal of Materials Chemistry C","2014","2","","8152","8161","10.1039/C4TC01369G","","","0.71073","MoKα","","0.0597","0.0524","","","0.1106","0.1146","","","","","","1.16","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233861","9.989","0.002","11.179","0.002","11.299","0.002","74.02","0.03","81.77","0.03","72.9","0.03","1156.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B N S4 -","- C24 H24 B N S4 -","- C48 H48 B2 N2 S8 -","2","1","","Xiao-Ye Wang; Fang-Dong Zhuang; Xu Zhou; Dong-Chu Yang; Jie-Yu Wang; Jian Pei","Influence of alkyl chain length on the solid-state properties and transistor performance of BN-substituted tetrathienonaphthalenes","Journal of Materials Chemistry C","2014","2","","8152","8161","10.1039/C4TC01369G","","","0.71073","MoKα","","0.0936","0.0757","","","0.1986","0.2149","","","","","","1.106","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233862","7.5956","0.0003","10.7442","0.0005","18.2411","0.0008","86.994","0.004","83.691","0.004","82.603","0.004","1466.19","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 B N S4 -","- C32 H40 B N S4 -","- C64 H80 B2 N2 S8 -","2","1","","Xiao-Ye Wang; Fang-Dong Zhuang; Xu Zhou; Dong-Chu Yang; Jie-Yu Wang; Jian Pei","Influence of alkyl chain length on the solid-state properties and transistor performance of BN-substituted tetrathienonaphthalenes","Journal of Materials Chemistry C","2014","2","","8152","8161","10.1039/C4TC01369G","","","0.7107","MoKα","","0.0416","0.0342","","","0.082","0.0872","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233863","8.4695","0.0017","13.03","0.003","16.2","0.003","99.16","0.03","96.39","0.03","104.33","0.03","1688.7","0.7","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 B N S4 -","- C36 H48 B N S4 -","- C72 H96 B2 N2 S8 -","2","1","","Xiao-Ye Wang; Fang-Dong Zhuang; Xu Zhou; Dong-Chu Yang; Jie-Yu Wang; Jian Pei","Influence of alkyl chain length on the solid-state properties and transistor performance of BN-substituted tetrathienonaphthalenes","Journal of Materials Chemistry C","2014","2","","8152","8161","10.1039/C4TC01369G","","","0.71073","MoKα","","0.0461","0.0363","","","0.0914","0.0964","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233864","16.131","0.003","6.4733","0.0011","6.5363","0.0011","90","","90","","90","","682.5","0.2","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cl Cu H3 O3 Sr -","- Cl Cu H3 O3 Sr -","- Cl6 Cu6 H18 O18 Sr6 -","6","1.5","","Teng-Teng Zhu; Wei Sun; Ya-Xi Huang; Zhi-Mei Sun; Yuanming Pan; Leon Balents; Jin-Xiao Mi","Strong spin frustration from isolated triangular Cu(ii) trimers in SrCu(OH)3Cl with a novel cuprate layer","Journal of Materials Chemistry C","2014","2","","8170","8178","10.1039/C4TC01416B","","","0.71073","MoKα","","0.0299","0.029","","","0.0621","0.0625","","","","","","1.033","","","","has coordinates","218310","2020-10-21","18:00:00",""
"7233865","13.945","0.0002","7.63438","0.00009","19.5974","0.0003","90","","90","","90","","2086.37","0.05","100","2","100","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C10 H12 F2 N3 O0.5 -","- C10 H12 F2 N3 O0.5 -","- C80 H96 F16 N24 O4 -","8","2","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","1.54184","CuKα","","0.0431","0.0425","","","0.1189","0.1204","","","","","","1.031","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7233866","9.6007","0.0002","15.873","0.0003","7.97687","0.00018","90","","105.107","0.002","90","","1173.6","0.04","290","2","290","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H14 Cl N3 O2 -","- C10 H14 Cl N3 O2 -","- C40 H56 Cl4 N12 O8 -","4","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.04","0.0348","","","0.0976","0.1024","","","","","","1.117","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233867","9.5861","0.0002","16.1448","0.0003","8.18095","0.00016","90","","107.024","0.002","90","","1210.65","0.04","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H14 Br N3 O2 -","- C10 H14 Br N3 O2 -","- C40 H56 Br4 N12 O8 -","4","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0424","0.0384","","","0.0936","0.0974","","","","","","1.109","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233868","7.3741","0.0005","8.9009","0.0006","9.5009","0.0006","104.349","0.002","108.232","0.003","90.833","0.003","570.94","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 I N3 O -","- C10 H12 I N3 O -","- C20 H24 I2 N6 O2 -","2","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0209","0.0194","","","0.051","0.0518","","","","","","1.132","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233869","10.5575","0.00013","14.04189","0.00018","10.3887","0.00013","90","","90","","90","","1540.1","0.03","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Cl3 I N3 -","- C11 H11 Cl3 I N3 -","- C44 H44 Cl12 I4 N12 -","4","0.5","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0291","0.023","","","0.0489","0.0517","","","","","","1.056","","","","has coordinates,has disorder","218315","2020-10-21","18:00:00",""
"7233870","10.65379","0.00012","14.07388","0.00014","10.48437","0.0001","90","","90","","90","","1572.03","0.03","290","2","290","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Cl3 I N3 -","- C11 H11 Cl3 I N3 -","- C44 H44 Cl12 I4 N12 -","4","0.5","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0314","0.0283","","","0.0823","0.0859","","","","","","0.945","","","","has coordinates,has disorder","218316","2020-10-21","18:00:00",""
"7233871","7.1165","0.0005","9.0759","0.0007","9.812","0.0008","117.118","0.008","99.869","0.006","98.207","0.006","537.81","0.09","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 F3 N3 O Si0.5 -","- C10 H12 F3 N3 O Si0.5 -","- C20 H24 F6 N6 O2 Si -","2","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0693","0.0666","","","0.1911","0.194","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233872","7.1604","0.001","9.0853","0.0005","9.8694","0.0006","117.066","0.002","100.294","0.003","98.373","0.003","543.33","0.09","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 F3 N3 O Si0.5 -","- C10 H12 F3 N3 O Si0.5 -","- C20 H24 F6 N6 O2 Si -","2","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.1025","0.0712","","","0.206","0.2268","","","","","","1.043","","","","has coordinates","218318","2020-10-21","18:00:00",""
"7233873","8.9204","0.0008","9.0608","0.0007","9.6164","0.0008","82.098","0.003","87.091","0.003","65.791","0.003","702.15","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 I3 N3 -","- C10 H10 I3 N3 -","- C20 H20 I6 N6 -","2","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0329","0.0285","","","0.0848","0.0876","","","","","","1.142","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233874","8.2733","0.0005","15.9517","0.001","8.636","0.0005","90","","103.447","0.003","90","","1108.48","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 B F4 N3 -","- C10 H10 B F4 N3 -","- C40 H40 B4 F16 N12 -","4","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0677","0.0469","","","0.121","0.1331","","","","","","1.082","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233880","9.848","0.002","12.546","0.003","12.957","0.003","85.32","0.03","80.81","0.03","69.9","0.03","1483.5","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 N O4 S2 -","- C37 H31 N O4 S2 -","- C74 H62 N2 O8 S4 -","2","1","","Meng Li; Wei Yao; Jun-Dao Chen; Hai-Yan Lu; YongSheng Zhao; Chuan-Feng Chen","Tetrahydro[5]helicene-based full-color emission dyes in both solution and solid states: synthesis, structures, photophysical properties and optical waveguide applications","Journal of Materials Chemistry C","2014","2","","8373","8380","10.1039/C4TC01562B","","","0.71073","MoKα","","0.0674","0.0602","","","0.1498","0.1555","","","","","","1.064","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233881","13.701","0.005","14.227","0.005","18.39","0.007","90","","109.695","0.008","90","","3375","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 N O6 -","- C43 H39 N O6 -","- C172 H156 N4 O24 -","4","1","","Meng Li; Wei Yao; Jun-Dao Chen; Hai-Yan Lu; YongSheng Zhao; Chuan-Feng Chen","Tetrahydro[5]helicene-based full-color emission dyes in both solution and solid states: synthesis, structures, photophysical properties and optical waveguide applications","Journal of Materials Chemistry C","2014","2","","8373","8380","10.1039/C4TC01562B","","","0.71073","MoKα","","0.16","0.1245","","","0.2267","0.2475","","","","","","1.214","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233882","10.076","0.002","10.201","0.002","30.956","0.006","90","","90","","90","","3181.8","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H33 Cl2 N O4 -","- C41 H33 Cl2 N O4 -","- C164 H132 Cl8 N4 O16 -","4","1","","Meng Li; Wei Yao; Jun-Dao Chen; Hai-Yan Lu; YongSheng Zhao; Chuan-Feng Chen","Tetrahydro[5]helicene-based full-color emission dyes in both solution and solid states: synthesis, structures, photophysical properties and optical waveguide applications","Journal of Materials Chemistry C","2014","2","","8373","8380","10.1039/C4TC01562B","","","0.71073","MoKα","","0.069","0.0614","","","0.1211","0.1269","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233883","11.8108","0.0002","11.8531","0.0002","14.4264","0.0002","86.6414","0.001","72.896","0.0009","66.2337","0.0009","1762.45","0.05","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H33 N3 -","- C49 H33 N3 -","- C98 H66 N6 -","2","1","","Shuo-Hsien Cheng; Wen-Yi Hung; Ming-Hung Cheng; Hsiao-Fan Chen; Atul Chaskar; Gene-Hsiang Lee; Shu-Hua Chou; Ken-Tsung Wong","Highly twisted biphenyl-linked carbazole-benzimidazole hybrid bipolar host materials for efficient PhOLEDs","Journal of Materials Chemistry C","2014","2","","8554","8563","10.1039/C4TC01463D","","","0.71073","MoKα","","0.0822","0.0468","","","0.1139","0.1302","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233884","10.7471","0.0007","13.3671","0.0009","13.5963","0.0008","79.376","0.002","88.39","0.002","70.557","0.002","1809.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C49.5 H34 Cl N3 -","- C49.5 H34 Cl N3 -","- C99 H68 Cl2 N6 -","2","1","","Shuo-Hsien Cheng; Wen-Yi Hung; Ming-Hung Cheng; Hsiao-Fan Chen; Atul Chaskar; Gene-Hsiang Lee; Shu-Hua Chou; Ken-Tsung Wong","Highly twisted biphenyl-linked carbazole-benzimidazole hybrid bipolar host materials for efficient PhOLEDs","Journal of Materials Chemistry C","2014","2","","8554","8563","10.1039/C4TC01463D","","","0.71073","MoKα","","0.0973","0.0684","","","0.1319","0.1458","","","","","","1.063","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233885","14.8683","0.0006","10.4772","0.0004","23.5294","0.001","90","","91.515","0.003","90","","3664.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N2 O Si -","- C44 H40 N2 O Si -","- C176 H160 N8 O4 Si4 -","4","1","","Kunchala Dhanunjayarao; Vanga Mukundam; Krishnan Venkatasubbaiah","A highly selective ratiometric detection of F- based on excited-state intramolecular proton-transfer (imidazole) materials","Journal of Materials Chemistry C","2014","2","","8599","8606","10.1039/C4TC01711K","","","0.71073","MoKα","","0.1277","0.0525","","","0.1243","0.1545","","","","","","0.995","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233886","10.079","0.0003","10.2068","0.0003","10.6405","0.0003","89.314","0.002","76.447","0.002","86.532","0.002","1062.2","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C56 H44 N4 O2 -","2","1","","Kunchala Dhanunjayarao; Vanga Mukundam; Krishnan Venkatasubbaiah","A highly selective ratiometric detection of F- based on excited-state intramolecular proton-transfer (imidazole) materials","Journal of Materials Chemistry C","2014","2","","8599","8606","10.1039/C4TC01711K","","","0.71073","MoKα","","0.124","0.0608","","","0.1502","0.1882","","","","","","0.971","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233887","6.758","0.01","13.15","0.02","9.269","0.014","90","","90","","90","","824","2","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C5 H6 Br N3 O2 -","- C5 H6 Br N3 O2 -","- C20 H24 Br4 N12 O8 -","4","0.5","","Tianliang Chen; Zhihua Sun; Xitao Liu; Jinyun Wang; Yuelan Zhou; Chengmin Ji; Shuquan Zhang; Lina Li; Zhong-Ning Chen; Junhua Luo","Strong enhancement of second harmonic generation in nonlinear optical crystals: 2-amino-3-nitropyridinium halides (Cl, Br, I)","Journal of Materials Chemistry C","2014","2","","8723","8728","10.1039/C4TC01002G","","","0.71073","MoKα","","0.065","0.0486","","","0.1418","0.1712","","","","","","1.219","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233888","6.702","0.003","9.243","0.004","13.476","0.005","90","","90","","90","","834.8","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 I N3 O2 -","- C5 H6 I N3 O2 -","- C20 H24 I4 N12 O8 -","4","1","","Tianliang Chen; Zhihua Sun; Xitao Liu; Jinyun Wang; Yuelan Zhou; Chengmin Ji; Shuquan Zhang; Lina Li; Zhong-Ning Chen; Junhua Luo","Strong enhancement of second harmonic generation in nonlinear optical crystals: 2-amino-3-nitropyridinium halides (Cl, Br, I)","Journal of Materials Chemistry C","2014","2","","8723","8728","10.1039/C4TC01002G","","","0.71073","MoKα","","0.0274","0.024","","","0.0853","0.0997","","","","","","1.25","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233889","7.22656","0.00017","18.9016","0.0004","8.35979","0.00018","90","","90","","90","","1141.89","0.04","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H4 N4 S3 -","- C12 H4 N4 S3 -","- C48 H16 N16 S12 -","4","1","","Miquel Planells; Mark Nikolka; Michael Hurhangee; Pabitra S. Tuladhar; Andrew J. P. White; James R. Durrant; Henning Sirringhaus; Iain McCulloch","The effect of thiadiazole out-backbone displacement in indacenodithiophene semiconductor polymers","Journal of Materials Chemistry C","2014","2","","8789","8795","10.1039/C4TC01500B","","","1.54184","CuKα","","0.026","0.0249","","","0.0629","0.0637","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233890","3.8195","0.0006","12.4465","0.0014","21.229","0.002","90","","92.17","0.008","90","","1008.5","0.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H10 F4 S4 -","- C26 H10 F4 S4 -","- C52 H20 F8 S8 -","2","0.5","","Ying Liu; Zhiyang Liu; Hao Luo; Xiaodong Xie; Ling Ai; Ziyi Ge; Gui Yu; Yunqi Liu","Benzothieno[2,3-b]thiophene semiconductors: synthesis, characterization and applications in organic field-effect transistors","Journal of Materials Chemistry C","2014","2","","8804","8810","10.1039/C4TC01688B","","","0.71073","MoKα","","0.0355","0.0292","","","0.0733","0.0763","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233891","13.7842","0.0019","20.256","0.003","24.952","0.003","90","","90","","90","","6966.9","1.6","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H52 Dy4 N26 O23 -","- C54 H52 Dy4 N26 O23 -","- C216 H208 Dy16 N104 O92 -","4","1","","Peng-Hu Guo; Yan Meng; Yan-Cong Chen; Quan-Wen Li; Bao-Ying Wang; Ji-Dong Leng; Ding-Hua Bao; Jian-Hua Jia; Ming-Liang Tong","A zigzag DyIII4 cluster exhibiting single-molecule magnet, ferroelectric and white-light emitting properties","Journal of Materials Chemistry C","2014","2","","8858","8864","10.1039/C4TC01275E","","","0.71073","MoKα","","0.0637","0.0391","","","0.0701","0.0772","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233892","18.57","0.004","8.6164","0.0017","33.009","0.007","90","","102.42","0.03","90","","5158","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H41 Cl N2 O4 S4 -","- C66 H41 Cl N2 O4 S4 -","- C264 H164 Cl4 N8 O16 S16 -","4","0.5","","Jing Zhang; Guangyao Zhao; Yunke Qin; Jiahui Tan; Hua Geng; Wei Xu; Wenping Hu; Zhigang Shuai; Daoben Zhu","Enhancement of the p-channel performance of sulfur-bridged annulene through a donor-acceptor co-crystal approach","Journal of Materials Chemistry C","2014","2","","8886","8891","10.1039/C4TC01876A","","","0.71073","MoKα","","0.0934","0.0733","","","0.1326","0.141","","","","","","1.191","","","","has coordinates,has disorder","218349","2020-10-21","18:00:00",""
"7233893","5.9639","0.0018","7.509","0.002","50.362","0.015","90","","92.826","0.007","90","","2252.6","1.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 S6 -","- C28 H14 S6 -","- C112 H56 S24 -","4","1","","Ming-Chou Chen; Sureshraju Vegiraju; Chi-Ming Huang; Peng-Yi Huang; Kumaresan Prabakaran; Shueh Lin Yau; Wei-Chih Chen; Wei-Tao Peng; Ito Chao; Choongik Kim; Yu-Tai Tao","Asymmetric fused thiophenes for field-effect transistors: crystal structure-film microstructure-transistor performance correlations","Journal of Materials Chemistry C","2014","2","","8892","8902","10.1039/C4TC01454E","","","0.71073","MoKα","","0.2014","0.0698","","","0.1613","0.2479","","","","","","0.957","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233894","7.468","0.004","5.916","0.003","34.719","0.015","90","","94.01","0.04","90","","1530.2","1.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 S3 -","- C20 H12 S3 -","- C80 H48 S12 -","4","1","","Ming-Chou Chen; Sureshraju Vegiraju; Chi-Ming Huang; Peng-Yi Huang; Kumaresan Prabakaran; Shueh Lin Yau; Wei-Chih Chen; Wei-Tao Peng; Ito Chao; Choongik Kim; Yu-Tai Tao","Asymmetric fused thiophenes for field-effect transistors: crystal structure-film microstructure-transistor performance correlations","Journal of Materials Chemistry C","2014","2","","8892","8902","10.1039/C4TC01454E","","","0.71073","MoKα","","0.2708","0.1599","","","0.3548","0.4062","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233895","3.8338","0.0005","5.8334","0.0008","26.039","0.004","86.15","0.009","87.916","0.01","87.044","0.009","579.93","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H9 F5 S6 -","- C28 H9 F5 S6 -","- C28 H9 F5 S6 -","1","0.5","","Ming-Chou Chen; Sureshraju Vegiraju; Chi-Ming Huang; Peng-Yi Huang; Kumaresan Prabakaran; Shueh Lin Yau; Wei-Chih Chen; Wei-Tao Peng; Ito Chao; Choongik Kim; Yu-Tai Tao","Asymmetric fused thiophenes for field-effect transistors: crystal structure-film microstructure-transistor performance correlations","Journal of Materials Chemistry C","2014","2","","8892","8902","10.1039/C4TC01454E","","","0.71073","MoKα","","0.1096","0.0692","","","0.1767","0.2001","","","","","","1.064","","","","has coordinates,has disorder","218352","2020-10-21","18:00:00",""
"7233896","5.8734","0.0002","36.1226","0.0012","7.4967","0.0002","90","","91.667","0.002","90","","1589.85","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H7 F5 S3 -","- C20 H7 F5 S3 -","- C80 H28 F20 S12 -","4","1","","Ming-Chou Chen; Sureshraju Vegiraju; Chi-Ming Huang; Peng-Yi Huang; Kumaresan Prabakaran; Shueh Lin Yau; Wei-Chih Chen; Wei-Tao Peng; Ito Chao; Choongik Kim; Yu-Tai Tao","Asymmetric fused thiophenes for field-effect transistors: crystal structure-film microstructure-transistor performance correlations","Journal of Materials Chemistry C","2014","2","","8892","8902","10.1039/C4TC01454E","","","0.71073","MoKα","","0.0706","0.0648","","","0.17","0.1789","","","","","","1.251","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233897","11.1992","0.0004","12.9239","0.0005","21.1547","0.0007","91.865","0.002","103.252","0.002","114.341","0.002","2687.41","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C58.86 H78.46 N3 O10.87 -","- C58.863 H78.452 N3 O10.863 -","- C117.726 H156.904 N6 O21.726 -","2","1","","Issam Oueslati; Jose A. Paixao; Aleksander Shkurenko; Kinga Suwinska; J. Sergio Seixas de Melo; Luis A. E. Batista de Carvalho","Highly ordered luminescent calix[4]azacrown films showing an emission response selective to volatile tetrahydrofuran","Journal of Materials Chemistry C","2014","2","","9012","9020","10.1039/C4TC01596G","","","0.7107","MoKα","","0.1306","0.0822","","","0.2279","0.2481","","","","","","1.079","","","","has coordinates,has disorder","218354","2020-10-21","18:00:00",""
"7233898","10.5419","0.0008","10.7871","0.0007","11.8223","0.0008","76.942","0.001","83.065","0.001","65.926","0.001","1195.1","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 Eu N2 O7 -","- C27 H16 Eu N2 O7 -","- C54 H32 Eu2 N4 O14 -","2","1","","Dou Ma; Xia Li; Rui Huo","A high-efficiency white light-emitting lanthanide-organic framework assembled from 4,4'-oxybis(benzoic acid), 1,10-phenanthroline and oxalate","Journal of Materials Chemistry C","2014","2","","9073","9076","10.1039/C4TC01409J","","","0.71073","MoKα","","0.0433","0.0363","","","0.0862","0.1012","","","","","","1.088","","","","has coordinates","218355","2020-10-21","18:00:00",""
"7233899","10.4973","0.0009","10.7315","0.0009","11.7907","0.0011","76.992","0.001","83.05","0.002","66.022","0.001","1181.82","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 N2 O7 Tb -","- C27 H16 N2 O7 Tb -","- C54 H32 N4 O14 Tb2 -","2","1","","Dou Ma; Xia Li; Rui Huo","A high-efficiency white light-emitting lanthanide-organic framework assembled from 4,4'-oxybis(benzoic acid), 1,10-phenanthroline and oxalate","Journal of Materials Chemistry C","2014","2","","9073","9076","10.1039/C4TC01409J","","","0.71073","MoKα","","0.0343","0.0299","","","0.0748","0.0778","","","","","","0.88","","","","has coordinates","218356","2020-10-21","18:00:00",""
"7233900","10.5261","0.0012","10.7578","0.0013","11.8168","0.0013","76.911","0.002","83.003","0.002","65.981","0.002","1189.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 Gd N2 O7 -","- C27 H16 Gd N2 O7 -","- C54 H32 Gd2 N4 O14 -","2","1","","Dou Ma; Xia Li; Rui Huo","A high-efficiency white light-emitting lanthanide-organic framework assembled from 4,4'-oxybis(benzoic acid), 1,10-phenanthroline and oxalate","Journal of Materials Chemistry C","2014","2","","9073","9076","10.1039/C4TC01409J","","","0.71073","MoKα","","0.0821","0.0548","","","0.1069","0.1228","","","","","","0.909","","","","has coordinates","218358","2020-10-21","18:00:00",""
"7233901","6.7075","0.0008","17.804","0.002","24.778","0.003","79.629","0.002","85.17","0.002","83.157","0.003","2883.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 N6 O4 Pt -","- C60 H84 N6 O4 Pt -","- C120 H168 N12 O8 Pt2 -","2","1","","Cristian Cuerva; Jose A. Campo; Paloma Ovejero; M. Rosario Torres; Elisabete Oliveira; Sergio M. Santos; Carlos Lodeiro; Mercedes Cano","Columnar discotic Pt(ii) metallomesogens as luminescence multifunctional materials with chemo and thermosensor abilities","Journal of Materials Chemistry C","2014","2","","9167","9181","10.1039/C4TC01666A","","","0.71073","MoKα","","0.1548","0.0608","","","0.1277","0.1687","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233902","13.794","0.007","4.462","0.004","11.963","0.007","90","","110.23","0.04","90","","690.9","0.8","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Br2 N2 O2 -","- C16 H8 Br2 N2 O2 -","- C32 H16 Br4 N4 O4 -","2","0.5","","Oratai Pitayatanakul; Toshiki Higashino; Tomofumi Kadoya; Masaki Tanaka; Hirotaka Kojima; Minoru Ashizawa; Tadashi Kawamoto; Hidetoshi Matsumoto; Ken Ishikawa; Takehiko Mori","High performance ambipolar organic field-effect transistors based on indigo derivatives","Journal of Materials Chemistry C","2014","2","","9311","9317","10.1039/C4TC01563K","","","0.71069","MoKα","","","0.0447","","","","0.1328","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233903","21.2805","0.0006","7.0108","0.0002","6.5404","0.0002","90","","92.739","0.002","90","","974.67","0.05","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C56 H36 N4 O4 -","2","0.5","","Oratai Pitayatanakul; Toshiki Higashino; Tomofumi Kadoya; Masaki Tanaka; Hirotaka Kojima; Minoru Ashizawa; Tadashi Kawamoto; Hidetoshi Matsumoto; Ken Ishikawa; Takehiko Mori","High performance ambipolar organic field-effect transistors based on indigo derivatives","Journal of Materials Chemistry C","2014","2","","9311","9317","10.1039/C4TC01563K","","","1.54187","CuKα","","","0.0692","","","","0.2044","","","","","","0.956","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233904","4.771","0.001","7.21","0.0014","13.036","0.003","90","","97.76","0.03","90","","444.32","0.17","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) propanoate","Lead(II) propionate","","- C6 H10 O4 Pb -","- C6 H10 O4 Pb -","- C12 H20 O8 Pb2 -","2","0.5","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","","","0.9779","Synchrotron","","0.073","0.0715","","","0.1713","0.1749","","","","","","1.067","","","","has coordinates","218362","2020-10-21","18:00:00",""
"7233905","4.744","0.0009","7.211","0.0014","17.982","0.004","91.74","0.03","96.27","0.03","90.85","0.03","611.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Lead(II) Valerate","Lead(II) Pentanoate","","- C10 H18 O4 Pb -","- C10 H18 O4 Pb -","- C20 H36 O8 Pb2 -","2","1","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","","","0.9779","Synchrotron","","0.0487","0.0482","","","0.1302","0.1311","","","","","","1.088","","","","has coordinates","218363","2020-10-21","18:00:00",""
"7233906","4.74","0.0009","7.192","0.0014","20.573","0.004","86.98","0.03","84.79","0.03","89.18","0.03","697.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Lead(II) hexanoate","'Lead(II) hexanoate'","","- C12 H22 O4 Pb -","- C12 H22 O4 Pb -","- C24 H44 O8 Pb2 -","2","1","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","","","0.7379","Synchrotron","","0.05","0.0499","","","0.1428","0.1431","","","","","","1.038","","","","has coordinates","218364","2020-10-21","18:00:00",""
"7233907","4.7781","0.00005","7.21366","0.00007","13.0582","0.0001","90","","97.8573","0.0009","90","","445.859","0.007","298","2","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) propionate","","","- C6 H10 O4 Pb -","- C6 H10 O4 Pb -","- C12 H20 O8 Pb2 -","2","0.5","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","powder diffraction","","1.54056","CuKα","","","","","","","","","6.3348","1.32","","","","","","","has coordinates","218365","2020-10-21","18:00:00",""
"7233908","4.82727","0.00006","7.27531","0.00007","18.08886","0.00016","91.2653","0.0013","96.9135","0.001","91.2613","0.0012","630.311","0.011","298","2","298","","","","","","","","","4","P -1","-P 1","2","Lead(II) pentanoate","","","- C10 H18 O4 Pb -","- C10 H18 O4 Pb -","- C20 H36 O8 Pb2 -","2","1","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","powder diffraction","","1.54056","CuKα","","","","","","","","","4.3645","1.16","","","","","","","has coordinates","218366","2020-10-21","18:00:00",""
"7233909","4.83942","0.00009","7.30791","0.00013","20.6726","0.0005","91.969","0.002","95.6808","0.0017","88.8359","0.0017","726.98","0.03","298","2","298","","","","","","","","","4","P -1","-P 1","2","Lead(II) hexanoate","","","- C12 H22 O4 Pb -","- C12 H22 O4 Pb -","- C24 H44 O8 Pb2 -","2","1","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","powder diffraction","","0.8266","","","","","","","","","","4.238","2.12","","","","","","","has coordinates","218367","2020-10-21","18:00:00",""
"7233925","14.306","0.003","10.163","0.002","13.511","0.003","90","","90","","90","","1964.4","0.7","293","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H17 B F2 N2 O -","- C25 H17 B F2 N2 O -","- C100 H68 B4 F8 N8 O4 -","4","1","","Zhenqi Zhang; Pengchong Xue; Peng Gong; Gonghe Zhang; Jiang Peng; Ran Lu","Mechanofluorochromic behaviors of beta-iminoenolate boron complexes functionalized with carbazole","Journal of Materials Chemistry C","2014","2","","9543","9551","10.1039/C4TC01639D","","","0.71073","MoKα","","0.0446","0.0382","","","0.0919","0.0948","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233926","13.6274","0.0004","18.3852","0.0006","18.7086","0.0006","106.273","0.004","100.944","0.004","96.639","0.004","4346.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H87 B Cr F24 N5 O2 -","- C86 H87 B Cr F24 N5 O2 -","- C172 H174 B2 Cr2 F48 N10 O4 -","2","1","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.0983","0.0713","","","0.1783","0.2012","","","","","","1.015","","","","has coordinates,has disorder","218416","2020-10-21","18:00:00",""
"7233927","18.3275","0.0011","18.7403","0.0011","63.453","0.003","90","","90","","90","","21794","2","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C111 H85 B2 Cl2 Cr F48 N5 -","- C111 H85 B2 Cl2 Cr F48 N5 -","- C888 H680 B16 Cl16 Cr8 F384 N40 -","8","1","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.0853","0.0535","","","0.1298","0.1468","","","","","","1.05","","","","has coordinates","218417","2020-10-21","18:00:00",""
"7233928","10.6258","0.0012","8.5953","0.001","15.2192","0.0017","90","","102.317","0.002","90","","1358","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cu N2 O2 -","- C18 H12 Cu N2 O2 -","- C72 H48 Cu4 N8 O8 -","4","1","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.0551","0.0485","","","0.1119","0.1152","","","","","","1.144","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7233929","12.726","0.003","13.004","0.003","14.943","0.004","90","","90","","90","","2472.9","1.1","","","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(S)-1-benzylpyrrolidin-2-yl)di(naphthalen-1-yl)]methanol","","- C32 H29 N O -","- C32 H29 N O -","- C128 H116 N4 O4 -","4","1","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.1001","0.0413","","","0.0763","0.0866","","","","","","","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233930","22.367","0.005","27.369","0.006","14.946","0.003","90","","114.32","0.03","90","","8337","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H44.5 F3 N6.5 O6 Pt S -","- C42 H40 F3 N6.5 O6 Pt S -","- C336 H320 F24 N52 O48 Pt8 S8 -","8","1","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.1301","0.0464","","","0.1007","0.1136","","","","","","0.767","","","","has coordinates","218420","2020-10-21","18:00:00",""
"7233931","7.1119","0.0017","7.1154","0.0017","10.282","0.002","90","","90.989","0.004","90","","520.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H8 B F2 O3 -","- C10 H8 B F2 O3 -","- C20 H16 B2 F4 O6 -","2","0.5","","Ignacio Sanchez; Cristina Nunez; Jose Antonio Campo; M. Rosario Torres; Mercedes Cano; Carlos Lodeiro","Polycatenar unsymmetrical beta-diketonate ligands as a useful tool to induce columnar mesomorphism on highly luminescent boron difluoride complexes","Journal of Materials Chemistry C","2014","2","","9653","9655","10.1039/C4TC01373E","","","0.71073","MoKα","","0.1052","0.0378","","","0.0785","0.0919","","","","","","0.995","","","","has coordinates","218421","2020-10-21","18:00:00",""
"7233932","10.0654","0.0011","36.749","0.004","13.944","0.0015","90","0.002","105.757","0.002","90","0.002","4964","0.9","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H72 B Cl F2 N2 P2 Pt -","- C45 H72 B Cl F2 N2 P2 Pt -","- C180 H288 B4 Cl4 F8 N8 P8 Pt4 -","4","1","","Huiru Jia; Betul Kucukoz; Yongheng Xing; Poulomi Majumdar; Caishun Zhang; Ahmet Karatay; Gul Yaglioglu; Ayhan Elmali; Jianzhang Zhao; Mustafa Hayvali","trans-Bis(alkylphosphine) platinum(ii)-alkynyl complexes showing broadband visible light absorption and long-lived triplet excited states","Journal of Materials Chemistry C","2014","2","","9720","9736","10.1039/C4TC01675K","","","0.71073","MoKα","","0.1274","0.0635","","","0.1313","0.1551","","","","","","1.022","","","","has coordinates,has disorder","218422","2020-10-21","18:00:00",""
"7233933","10.6047","0.0003","13.7982","0.0005","19.705","0.0007","90","","90","","90","","2883.35","0.17","293","2","293","2","","","","","","","","7","I m c m","-I 2 2a","74","","","","- C6 H4 Br8 Cd Mo6 N6 O2 -","- C6 Br8 Cd Mo6 N6 O2 -","- C24 Br32 Cd4 Mo24 N24 O8 -","4","0.25","","Maria Amela-Cortes; Stephane Cordier; Nikolay G. Naumov; Cristelle Meriadec; Franck Artzner; Yann Molard","Hexacyano octahedral metallic clusters as versatile building blocks in the design of extended polymeric framework and clustomesogens","Journal of Materials Chemistry C","2014","2","","9813","9823","10.1039/C4TC02098G","","","0.71073","MoKα","","0.0475","0.0344","","","0.0791","0.0828","","","","","","1.088","","","","has coordinates","218423","2020-10-21","18:00:00",""
"7233934","9.5653","0.0013","11.8383","0.0016","14.678","0.002","102.839","0.003","96.717","0.003","102.722","0.003","1556.5","0.4","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H31 N3 -","- C44 H31 N3 -","- C88 H62 N6 -","2","1","","Zhiwen Zheng; Qingchen Dong; Liao Gou; Jian-Hua Su; Jinhai Huang","Novel hole transport materials based on N,N'-disubstituted-dihydrophenazine derivatives for electroluminescent diodes","Journal of Materials Chemistry C","2014","2","","9858","9865","10.1039/C4TC01965B","","","0.71073","MoKα","","0.1262","0.0604","","","0.1189","0.1466","","","","","","0.946","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233935","9.322","0.005","12.934","0.007","14.662","0.008","75.264","0.009","81.913","0.01","71.406","0.011","1617","1.5","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H31 Cl N3 -","- C45 H31 Cl N3 -","- C90 H62 Cl2 N6 -","2","1","","Zhiwen Zheng; Qingchen Dong; Liao Gou; Jian-Hua Su; Jinhai Huang","Novel hole transport materials based on N,N'-disubstituted-dihydrophenazine derivatives for electroluminescent diodes","Journal of Materials Chemistry C","2014","2","","9858","9865","10.1039/C4TC01965B","","","0.71073","MoKα","","0.1697","0.0729","","","0.1722","0.2258","","","","","","0.962","","","","has coordinates","218426","2020-10-21","18:00:00",""
"7233936","9.4937","0.0015","10.0154","0.0016","21.812","0.004","101.429","0.004","97.164","0.005","104.122","0.003","1938.4","0.6","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H36 Cl2 N4 -","- C52 H36 Cl2 N4 -","- C104 H72 Cl4 N8 -","2","1","","Zhiwen Zheng; Qingchen Dong; Liao Gou; Jian-Hua Su; Jinhai Huang","Novel hole transport materials based on N,N'-disubstituted-dihydrophenazine derivatives for electroluminescent diodes","Journal of Materials Chemistry C","2014","2","","9858","9865","10.1039/C4TC01965B","","","0.71073","MoKα","","0.1312","0.0755","","","0.1931","0.2283","","","","","","0.962","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233937","8.15","0.03","8.52","0.04","8.77","0.03","82.77","0.19","65.14","0.13","79.9","0.2","543","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C6 H16 Cl N O4 -","- C6 H16 Cl N O4 -","- C12 H32 Cl2 N2 O8 -","2","2","","Kaige Gao; Minqiang Gu; Xiangbiao Qiu; X. N. Ying; Heng-Yun Ye; Yi Zhang; Jinglan Sun; Xiangjian Meng; F. M. Zhang; Di Wu; Hong-Ling Cai; X. S. Wu","Above-room-temperature molecular ferroelectric and fast switchable dielectric of diisopropylammonium perchlorate","Journal of Materials Chemistry C","2014","2","","9957","9963","10.1039/C4TC01882F","","","0.71073","MoKα","","0.1572","0.1098","","","0.2912","0.345","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233938","17.662","0.009","8.786","0.0005","16.671","0.004","90","","118.59","0.024","90","","2271.5","1.4","383","","383","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl N O4 -","- C6 H16 Cl N O4 -","- C48 H128 Cl8 N8 O32 -","8","2","","Kaige Gao; Minqiang Gu; Xiangbiao Qiu; X. N. Ying; Heng-Yun Ye; Yi Zhang; Jinglan Sun; Xiangjian Meng; F. M. Zhang; Di Wu; Hong-Ling Cai; X. S. Wu","Above-room-temperature molecular ferroelectric and fast switchable dielectric of diisopropylammonium perchlorate","Journal of Materials Chemistry C","2014","2","","9957","9963","10.1039/C4TC01882F","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.30115","","1.96","","","","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233939","11.7143","0.001","7.8255","0.0007","13.5651","0.0012","90","","98.445","0.002","90","","1230.03","0.19","185","2","185","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 S4 -","- C26 H32 S4 -","- C52 H64 S8 -","2","0.5","","Li Wang; Xiaojie Zhang; Jidong Zhang; Hongkun Tian; Yunfeng Lu; Yanhou Geng; Fosong Wang","Synthesis and characterization of oligo(2,5-bis(3-dodecylthiophen-2-yl)thieno[3,2-b]thiophene)s: effect of the chain length and end-groups on their optical and charge transport properties","Journal of Materials Chemistry C","2014","2","","9978","9986","10.1039/C4TC01899K","","","0.71073","MoKα","","0.0478","0.0407","","","0.1129","0.1204","","","","","","1.096","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233940","12.9634","0.0018","13.1087","0.0018","13.8909","0.0018","85.137","0.005","68.466","0.005","84.926","0.004","2183.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","zincmetalorganicframework","","","- C34 H16 N2 O8 Zn2 -","- C34 H16 N2 O8 Zn2 -","- C68 H32 N4 O16 Zn4 -","2","1","","K. S. Asha; Kalishankar Bhattacharyya; Sukhendu Mandal","Discriminative detection of nitro aromatic explosives by a luminescent metal-organic framework","Journal of Materials Chemistry C","2014","2","","10073","10081","10.1039/C4TC01982B","","","0.71073","MoKα","","0.1369","0.0929","","","0.2421","0.2614","","","","","","0.937","","","","has coordinates","218522","2020-10-21","18:00:00",""
"7233941","5.8555","0.0005","7.4803","0.0006","24.756","0.002","90","","97.081","0.008","90","","1076.06","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Betainium Chlorodifluoroacetate","","- C7 H12 Cl F2 N O4 -","- C7 H12 Cl F2 N O4 -","- C28 H48 Cl4 F8 N4 O16 -","4","1","","Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo","Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate","Journal of Materials Chemistry C","2014","2","","10337","10342","10.1039/C4TC01925C","","","0.71073","MoKα","","0.0729","0.0517","","","0.107","0.1212","","","","","","1.104","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233942","5.8521","0.0003","7.517","0.0004","12.737","0.0006","90","","94.458","0.005","90","","558.61","0.05","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl F2 N O4 -","- C7 H12 Cl F2 N O4 -","- C14 H24 Cl2 F4 N2 O8 -","2","0.5","","Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo","Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate","Journal of Materials Chemistry C","2014","2","","10337","10342","10.1039/C4TC01925C","","","0.71073","MoKα","","0.0986","0.0874","","","0.1571","0.1629","","","","","","1.134","","","","has coordinates","218524","2020-10-21","18:00:00",""
"7233943","5.8745","0.0003","7.5347","0.0003","12.7728","0.0006","90","","94.896","0.004","90","","563.29","0.05","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl F2 N O4 -","- C7 H12 Cl F2 N O4 -","- C14 H24 Cl2 F4 N2 O8 -","2","0.5","","Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo","Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate","Journal of Materials Chemistry C","2014","2","","10337","10342","10.1039/C4TC01925C","","","0.71073","MoKα","","0.1039","0.0875","","","0.1755","0.1864","","","","","","1.095","","","","has coordinates","218525","2020-10-21","18:00:00",""
"7233944","5.8905","0.0003","7.5414","0.0005","12.7949","0.0007","90","","95.151","0.005","90","","566.09","0.06","230","2","230","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl F2 N O4 -","- C7 H13 Cl F2 N O4 -","- C14 H26 Cl2 F4 N2 O8 -","2","0.5","","Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo","Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate","Journal of Materials Chemistry C","2014","2","","10337","10342","10.1039/C4TC01925C","","","0.71073","MoKα","","0.1026","0.0862","","","0.1699","0.1799","","","","","","1.072","","","","has coordinates","218526","2020-10-21","18:00:00",""
"7233945","51.381","0.0014","7.987","0.0002","26.1603","0.0007","90","","114.761","0.002","90","","9748.7","0.5","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PtCz","FPtCzND","","- C31 H18 F2 N4 O Pt -","- C31 H18 F2 N4 O Pt -","- C496 H288 F32 N64 O16 Pt16 -","16","2","","Anurach Poloek; Chiao-Wen Lin; Chin-Ti Chen; Chao-Tsen Chen","High colour rendering index and colour stable hybrid white efficient OLEDs with a double emitting layer structure using a single phosphorescence dopant of heteroleptic platinum complexes","Journal of Materials Chemistry C","2014","2","","10343","10356","10.1039/C4TC01791A","","","0.71073","MoKα","","0.0332","0.0282","","","0.0707","0.0728","","","","","","1.109","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7233946","14.9476","0.0008","19.1171","0.0008","6.8875","0.0003","90","","98.29","0.004","90","","1947.57","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PtOPh","FPtOPhND","","- C25 H15 F2 N3 O2 Pt -","- C25 H15 F2 N3 O2 Pt -","- C100 H60 F8 N12 O8 Pt4 -","4","1","","Anurach Poloek; Chiao-Wen Lin; Chin-Ti Chen; Chao-Tsen Chen","High colour rendering index and colour stable hybrid white efficient OLEDs with a double emitting layer structure using a single phosphorescence dopant of heteroleptic platinum complexes","Journal of Materials Chemistry C","2014","2","","10343","10356","10.1039/C4TC01791A","","","0.71073","MoKα","","0.0519","0.0316","","","0.0493","0.0545","","","","","","1.03","","","","has coordinates","218528","2020-10-21","18:00:00",""
"7233947","8.403","0.0006","9.035","0.0011","14.003","0.0013","103.453","0.009","106.211","0.012","94.229","0.01","981.83","0.19","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","2-{11-[4,5-bis(butylsulfanyl)-1,3-dithiolan-2- ylidene]-5H,11H-indeno[1,2-b]fluoren-5-ylidene}- 4,5-bis(butylsulfanyl)-1,3-dithiolane","","- C42 H46 S8 -","- C42 H46 S8 -","- C42 H46 S8 -","1","0.5","","Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen","Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes","Journal of Materials Chemistry C","2014","2","","10428","10438","10.1039/C4TC02178A","","","0.71073","MoKα","","0.0404","0.03","","","0.0749","0.0819","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233948","7.3803","0.0008","15.8329","0.0015","16.5567","0.0015","115.025","0.003","92.031","0.004","96.727","0.004","1733.2","0.3","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 B1.5 F6 S8 -","- C34 H30 B1.5 F6 S8 -","- C68 H60 B3 F12 S16 -","2","1","","Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen","Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes","Journal of Materials Chemistry C","2014","2","","10428","10438","10.1039/C4TC02178A","","","0.71073","MoKα","","0.1418","0.0804","","","0.198","0.2365","","","","","","1.0575","","","","has coordinates,has disorder","218531","2020-10-21","18:00:00",""
"7233949","24.306","0.003","24.77","0.003","6.7903","0.0006","90","","104.828","0.006","90","","3952","0.8","122","2","122","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 S8 -","- C34 H30 S8 -","- C136 H120 S32 -","4","0.5","","Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen","Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes","Journal of Materials Chemistry C","2014","2","","10428","10438","10.1039/C4TC02178A","","","0.71073","MoKα","","0.1286","0.0793","","","0.2443","0.286","","","","","","1.0265","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233950","5.2379","0.0016","15.5022","0.0008","19.0966","0.0011","90","","97.145","0.002","90","","1538.6","0.5","122","2","122","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 S8 -","- C34 H30 S8 -","- C68 H60 S16 -","2","0.5","","Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen","Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes","Journal of Materials Chemistry C","2014","2","","10428","10438","10.1039/C4TC02178A","","","0.71073","MoKα","","0.0462","0.0317","","","0.0686","0.0743","","","","","","1.0422","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233951","9.4413","0.0005","13.8707","0.0007","15.4171","0.0007","106.242","0.002","98.995","0.002","107.963","0.002","1777.67","0.16","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 F6 S8 Ta -","- C34 H30 F6 S8 Ta -","- C68 H60 F12 S16 Ta2 -","2","1","","Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen","Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes","Journal of Materials Chemistry C","2014","2","","10428","10438","10.1039/C4TC02178A","","","0.71073","MoKα","","0.0673","0.0482","","","0.1098","0.1187","","","","","","1.0349","","","","has coordinates","218534","2020-10-21","18:00:00",""
"7233952","5.21365","0.00013","12.5465","0.0003","16.7656","0.0004","110.319","0.0014","92.1751","0.0015","106.122","0.0014","976.95","0.04","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N2 O2 S4 -","- C44 H46 N2 O2 S4 -","- C44 H46 N2 O2 S4 -","1","0.5","","Takefumi Odajima; Minoru Ashizawa; Yuichi Konosu; Hidetoshi Matsumoto; Takehiko Mori","The impact of molecular planarity on electronic devices in thienoisoindigo-based organic semiconductors","Journal of Materials Chemistry C","2014","2","","10455","10467","10.1039/C4TC02170C","","","1.54187","CuKα","","","0.1344","","","","0.403","","","","","","2.539","","","","has coordinates","218535","2020-10-21","18:00:00",""
"7233953","5.1386","0.0004","11.8573","0.0009","16.4469","0.0012","105.425","0.005","90.708","0.004","98.541","0.004","953.88","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N2 O4 S2 -","- C44 H46 N2 O4 S2 -","- C44 H46 N2 O4 S2 -","1","0.5","","Takefumi Odajima; Minoru Ashizawa; Yuichi Konosu; Hidetoshi Matsumoto; Takehiko Mori","The impact of molecular planarity on electronic devices in thienoisoindigo-based organic semiconductors","Journal of Materials Chemistry C","2014","2","","10455","10467","10.1039/C4TC02170C","","","1.54187","CuKα","","","0.1274","","","","0.4022","","","","","","1.098","","","","has coordinates","218536","2020-10-21","18:00:00",""
"7235353","18.6978","0.0011","12.2385","0.00013","13.6407","0.0012","90","","110.702","0.003","90","","2919.9","0.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N16 O17 -","- C14 H18 N16 O17 -","- C56 H72 N64 O68 -","4","1","","Tang, Yongxing; Yang, Hongwei; Ju, Xuehai; Huang, Hui; Lu, Chunxu; Cheng, Guangbin","A novel N–N bond cleavage in 1,5-diaminotetrazole: synthesis and characterization of 5-picrylamino-1,2,3,4-tetrazole (PAT)","Journal of Materials Chemistry A","2014","2","12","4127","","10.1039/c3ta14485b","","","0.71073","MoKα","","0.0692","0.0564","","","0.1416","0.1466","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235354","10.4369","0.0009","11.2951","0.0007","12.7861","0.00012","101.639","0.007","111.064","0.008","98.473","0.006","1337.21","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Eu2 N5 O18 -","- C44 H28 Eu2 N5 O18 -","- C44 H28 Eu2 N5 O18 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0645","0.0537","","","0.1471","0.1562","","","","","","0.931","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235355","10.3371","0.0005","11.1671","0.0006","11.8689","0.0009","94.257","0.005","107.004","0.005","108.419","0.005","1221.93","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Eu2 N9 O14 -","- C38 H28 Eu2 N9 O14 -","- C38 H28 Eu2 N9 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0733","0.0665","","","0.1829","0.1894","","","","","","1.051","","","","has coordinates,has disorder","232718","2020-10-21","18:00:00",""
"7235356","10.5378","0.0013","11.3009","0.0008","12.9441","0.0011","107.074","0.007","107.411","0.01","92.773","0.008","1390.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H13 Eu2 N4 O15 -","- C30 H13 Eu2 N4 O15 -","- C30 H13 Eu2 N4 O15 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0766","0.0659","","","0.1636","0.1705","","","","","","0.99","","","","has coordinates,has disorder","232718","2020-10-21","18:00:00",""
"7235357","10.4157","0.0015","11.2176","0.0018","11.806","0.002","93.298","0.014","109.635","0.014","106.949","0.014","1224.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Eu2 N9 O14 -","- C38 H28 Eu2 N9 O14 -","- C38 H28 Eu2 N9 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.1077","0.0742","","","0.1855","0.2116","","","","","","0.985","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235358","10.3923","0.0006","11.2942","0.0008","12.3282","0.0008","98.464","0.006","109.478","0.006","102.788","0.006","1291.34","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H18 Eu2 N13 O14 -","- C34 H18 Eu2 N13 O14 -","- C34 H18 Eu2 N13 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0634","0.0561","","","0.1596","0.1678","","","","","","1.047","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235359","10.3363","0.0012","11.2395","0.0013","11.7729","0.0013","91.931","0.009","108.443","0.01","109.729","0.01","1206.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Eu2 N9 O14 -","- C44 H28 Eu2 N9 O14 -","- C44 H28 Eu2 N9 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0567","0.0507","","","0.1416","0.1466","","","","","","1.084","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235360","10.4361","0.0013","11.2002","0.0017","11.7349","0.0016","93.473","0.012","110.054","0.012","106.436","0.012","1216.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Eu2 N9 O16 -","- C38 H28 Eu2 N9 O16 -","- C38 H28 Eu2 N9 O16 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0658","0.0581","","","0.1622","0.1713","","","","","","1.091","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235361","10.3405","0.0005","11.1627","0.0006","11.7693","0.0006","89.563","0.004","69.495","0.005","69.743","0.005","1183.7","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H16 Eu2 N11 O12 -","- C36 H16 Eu2 N11 O12 -","- C36 H16 Eu2 N11 O12 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0554","0.0481","","","0.1324","0.1379","","","","","","1.153","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235362","10.398","0.0009","11.2742","0.0008","11.4677","0.0012","95.51","0.007","109.49","0.009","104.801","0.007","1200.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H10 Eu2 N7 O14 -","- C32 H10 Eu2 N7 O14 -","- C32 H10 Eu2 N7 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0592","0.0525","","","0.1423","0.1481","","","","","","1.051","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235363","10.42","0.0008","11.1657","0.0008","11.9254","0.0008","90.062","0.006","110.667","0.007","109.83","0.007","1209.66","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 Eu2 N15 O12 -","- C34 H14 Eu2 N15 O12 -","- C34 H14 Eu2 N15 O12 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0729","0.0618","","","0.1701","0.1797","","","","","","1.112","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235364","10.3912","0.0011","11.3371","0.0011","12.8168","0.0012","106.322","0.008","98.73","0.008","103.042","0.009","1373.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H29 Eu2 N6 O15 -","- C44 H29 Eu2 N6 O15 -","- C44 H29 Eu2 N6 O15 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0666","0.0575","","","0.1669","0.1742","","","","","","1.175","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235365","10.4457","0.0007","11.3042","0.0009","13.9642","0.0011","110.218","0.007","107.559","0.007","91.119","0.006","1461","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 Eu2 N7 O14 -","- C34 H14 Eu2 N7 O14 -","- C34 H14 Eu2 N7 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0822","0.0697","","","0.1965","0.2095","","","","","","1.074","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235366","10.3929","0.00011","11.267","0.00012","12.4706","0.00014","96.847","0.009","110.856","0.001","103.83","0.009","1291","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.1 H12.2 Eu N3.2 O7 -","- C19.1 H12.2 Eu N3.2 O7 -","- C38.2 H24.4 Eu2 N6.4 O14 -","2","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0646","0.0535","","","0.141","0.1496","","","","","","1.002","","","","has coordinates,has disorder","232718","2020-10-21","18:00:00",""
"7235367","29.103","0.003","13.95","0.002","14.2309","0.0017","90","","94.204","0.011","90","","5762","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Eu N2 O7 -","- C22 H14 Eu N2 O7 -","- C176 H112 Eu8 N16 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.1013","0.0756","","","0.2056","0.223","","","","","","1.126","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235368","28.2573","0.0018","14.6878","0.0009","13.639","0.0008","90","","99.327","0.007","90","","5585.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 Eu2 N3 O18 -","- C49 H36 Eu2 N3 O18 -","- C196 H144 Eu8 N12 O72 -","4","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0752","0.0536","","","0.1518","0.1677","","","","","","1.067","","","","has coordinates,has disorder","232718","2020-10-21","18:00:00",""
"7235369","29.974","0.003","12.4213","0.001","14.3039","0.0009","90","","93.371","0.007","90","","5316.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Eu N4 O7 -","- C23 H19 Eu N4 O7 -","- C184 H152 Eu8 N32 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.077","0.0538","","","0.1312","0.1422","","","","","","1.044","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235370","28.735","0.002","14.2112","0.0009","14.3322","0.0008","90","","95.126","0.005","90","","5829.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Eu N3 O8 -","- C25 H21 Eu N3 O8 -","- C200 H168 Eu8 N24 O64 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0765","0.0647","","","0.1825","0.19","","","","","","1.113","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235371","29.705","0.0017","12.9699","0.0006","13.8285","0.0006","90","","95.247","0.005","90","","5305.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Eu N5 O7 -","- C24 H19 Eu N5 O7 -","- C192 H152 Eu8 N40 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0354","0.0304","","","0.0778","0.08","","","","","","1.067","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235372","29.6024","0.0012","13.478","0.0007","13.3524","0.0006","90","","96.594","0.004","90","","5292.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Eu N6 O7 -","- C21 H15 Eu N6 O7 -","- C168 H120 Eu8 N48 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0462","0.0388","","","0.1102","0.1151","","","","","","1.137","","","","has coordinates,has disorder","232718","2020-10-21","18:00:00",""
"7235373","29.5467","0.0013","12.9685","0.0007","14.2361","0.0007","90","","94.61","0.004","90","","5437.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 Eu N3 O9 -","- C23 H13 Eu N3 O9 -","- C184 H104 Eu8 N24 O72 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0531","0.043","","","0.1201","0.1256","","","","","","1.082","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235374","29.463","0.002","14.619","0.0011","12.281","0.0016","90","","98.518","0.008","90","","5231.3","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Eu N3 O7 -","- C24 H22 Eu N3 O7 -","- C192 H176 Eu8 N24 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0779","0.0626","","","0.1609","0.1719","","","","","","1.062","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235375","28.6627","0.001","14.0581","0.0004","13.1543","0.0005","90","","102.307","0.004","90","","5178.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Eu N5 O6 -","- C22 H14 Eu N5 O6 -","- C176 H112 Eu8 N40 O48 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","1.54184","CuKα","","0.0645","0.0602","","","0.1761","0.182","","","","","","1.084","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235376","29.081","0.002","13.3943","0.0012","13.5384","0.0014","90","","98.053","0.008","90","","5221.5","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Eu N3 O7 -","- C20 H12 Eu N3 O7 -","- C160 H96 Eu8 N24 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0637","0.0571","","","0.1643","0.17","","","","","","1.07","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235377","29.7931","0.001","12.7929","0.001","13.7893","0.0007","90","","95.185","0.004","90","","5234.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Eu N7 O8 -","- C21 H12 Eu N7 O8 -","- C168 H96 Eu8 N56 O64 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","1.54184","CuKα","","0.0881","0.0813","","","0.2331","0.242","","","","","","1.117","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235378","29.0553","0.0012","14.1152","0.0007","13.4991","0.0007","90","","97.912","0.005","90","","5483.6","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Eu N2 O9 S -","- C22 H19 Eu N2 O9 S -","- C176 H152 Eu8 N16 O72 S8 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0801","0.0687","","","0.215","0.2263","","","","","","1.104","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235379","28.6032","0.0008","14.3668","0.0007","12.815","0.0005","90","","103.057","0.003","90","","5130","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Eu N3 O7 -","- C21 H12 Eu N3 O7 -","- C168 H96 Eu8 N24 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","1.54184","CuKα","","0.0504","0.0474","","","0.1445","0.1482","","","","","","1.121","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235380","13.6903","0.0004","14.7432","0.0005","15.6518","0.0007","95.222","0.003","112.945","0.004","90.244","0.003","2894.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H41 Eu2 N7 O14 -","- C57 H41 Eu2 N7 O14 -","- C114 H82 Eu4 N14 O28 -","2","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0654","0.0529","","","0.1315","0.1404","","","","","","1.026","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235381","7.3742","0.0003","11.4011","0.0006","11.6706","0.0006","89.666","0.004","76.813","0.004","74.971","0.004","921.16","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 Mg5 O33 -","- C20 H26 Mg5 O33 -","- C20 H26 Mg5 O33 -","1","0.5","","Wu, Zhao-Feng; Tan, Bin; Feng, Mei-Ling; Lan, An-Jian; Huang, Xiao-Ying","A magnesium MOF as a sensitive fluorescence sensor for CS2 and nitroaromatic compounds","J. Mater. Chem. A","2014","2","18","6426","","10.1039/C3TA15071B","","","0.71073","MoKα","","0.0454","0.0366","","","0.076","0.0779","","","","","","1.001","","","","has coordinates","232719","2020-10-21","18:00:00",""
"7235382","7.7969","0.0006","12.0686","0.0007","10.9819","0.0006","90","","103.056","0.006","90","","1006.66","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H F N -","- C2.10526 H1.68421 F0.631579 N0.631579 -","- C40 H32 F12 N12 -","19","4.75","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.0803","0.0566","","","0.1559","0.1789","","","","","","1.075","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235383","16.0332","0.0012","6.8721","0.0004","10.703","0.0007","90","","105.264","0.007","90","","1137.67","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C H Cl F N -","- C2.25 H1.25 Cl0.5 F0.75 N0.75 -","- C36 H20 Cl8 F12 N12 -","16","8","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.0854","0.0688","","","0.2048","0.2299","","","","","","1.586","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235384","5.4767","0.0005","24.405","0.002","7.9829","0.0008","90","","97.37","0.009","90","","1058.17","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 F3 N4 O2 -","- C9 H5 F3 N4 O2 -","- C36 H20 F12 N16 O8 -","4","1","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.1413","0.0741","","","0.2063","0.2283","","","","","","1.162","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7235385","6.4061","0.0003","10.243","0.0006","16.3818","0.0008","90","","90","","90","","1074.94","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4.5 H2 F2 N2 O -","- C4.5 H2 F2 N2 O -","- C36 H16 F16 N16 O8 -","8","2","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.71073","MoKα","","0.0372","0.0332","","","0.0862","0.0892","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235386","14.58","0.002","13.1345","0.0019","5.7684","0.0006","90","","90.465","0.013","90","","1104.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H Cl0.06 F N O -","- C2.25 H Cl0.25 F0.75 N O0.5 -","- C36 H16 Cl4 F12 N16 O8 -","16","4","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.1342","0.0651","","","0.1513","0.2132","","","","","","0.845","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235387","7.445","0.002","15.889","0.005","10.638","0.003","90","","109.22","0.005","90","","1188.3","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 F3 N6 -","- C11 H7 F3 N6 -","- C44 H28 F12 N24 -","4","1","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.71073","MoKα","","0.0648","0.0404","","","0.0946","0.1073","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235388","17.315","0.004","8.8212","0.0018","19.147","0.004","90","","90","","90","","2924.5","1.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H F N -","- C2.12245 H1.30612 F0.489796 N1.46939 -","- C104 H64 F24 N72 -","49","12.25","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.71073","MoKα","","0.1394","0.0904","","","0.222","0.2563","","","","","","1.021","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235389","8.5034","0.0013","10.042","0.002","10.289","0.002","61.31","0.02","84.601","0.015","72.454","0.016","733.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C H F N O -","- C2.6 H1.6 F0.6 N1.8 -","- C26 H16 F6 N18 -","10","5","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.0908","0.0657","","","0.1979","0.2196","","","","","","1.315","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235390","18.596","0.005","10.898","0.003","28.644","0.008","90","","90.48","0.004","90","","5805","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H F N O -","- C2.16667 H1.33333 F0.5 N1.5 -","- C208 H128 F48 N144 -","96","12","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.71073","MoKα","","0.0814","0.065","","","0.2038","0.2175","","","","","","1.063","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235391","13.224","0.0008","10.7927","0.0007","20.8619","0.001","90","","93.504","0.005","90","","2971.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 F3 N8 -","- C13 H8 F3 N9 -","- C104 H64 F24 N72 -","8","2","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.0892","0.0571","","","0.1654","0.2066","","","","","","0.814","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235392","12.6575","0.0006","5.6511","0.0003","12.7702","0.0006","90","","104.861","0.002","90","","882.88","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","PEPSEQ A=2 PHE*-PHE*","(β^3^-homophenylalanyl)-(α,β-dehydrophenylalanine) monohydrate","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Parween, Shaheena; Misra, Anurag; Ramakumar, Suryanarayanarao; Chauhan, Virander Singh","Self-assembled dipeptide nanotubes constituted by flexible β-phenylalanine and conformationally constrained α,β-dehydrophenylalanine residues as drug delivery system","Journal of Materials Chemistry B","2014","2","20","3096","","10.1039/c3tb21856b","","","0.71073","MoKα","","0.0766","0.0431","","","0.0898","0.1027","","","","","","0.993","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235393","5.786","0.0007","24.375","0.003","25.285","0.003","90","","90","","90","","3566","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","PEPSEQ A=2 PHE*-PHE*","'(β^3^-homophenylalanyl)-phenylalanine) hemihydrate'","","- C38 H46 N4 O7 -","- C38 H44 N4 O7 -","- C152 H176 N16 O28 -","4","1","","Parween, Shaheena; Misra, Anurag; Ramakumar, Suryanarayanarao; Chauhan, Virander Singh","Self-assembled dipeptide nanotubes constituted by flexible β-phenylalanine and conformationally constrained α,β-dehydrophenylalanine residues as drug delivery system","Journal of Materials Chemistry B","2014","2","20","3096","","10.1039/c3tb21856b","","","0.71073","MoKα","","0.2237","0.0781","","","0.1468","0.2077","","","","","","0.972","","","","has coordinates","232724","2020-10-21","18:00:00",""
"7235735","52.5078","0.0017","52.5078","0.0017","52.5078","0.0017","90","","90","","90","","144768","8","100","2","100","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C18 H12 Cu3 O15 -","- C4.58824 H0.806723 Cu0.554622 O2.01681 -","- C4368 H768 Cu528 O1920 -","952","4.95833","","Ahmed, Adham; Hodgson, Nicola; Barrow, Michael; Clowes, Rob; Robertson, Craig M.; Steiner, Alexander; McKeown, Paul; Bradshaw, Darren; Myers, Peter; Zhang, Haifei","Macroporous metal‒organic framework microparticles with improved liquid phase separation","J. Mater. Chem. A","2014","2","24","9085","","10.1039/C4TA00138A","","","0.71073","MoKα","","0.1571","0.1048","","","0.3435","0.3938","","","","","","2.537","","","","has coordinates","233281","2020-10-21","18:00:00",""
"7235736","11.01","0.002","12.821","0.003","12.932","0.003","91.21","0.03","110.33","0.03","106.46","0.03","1627","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 Cd N7 O6 -","- C37 H26 Cd N7 O6 -","- C74 H52 Cd2 N14 O12 -","2","1","","Li, Yue; Song, Han; Chen, Qiang; Liu, Kun; Zhao, Fang-Yao; Ruan, Wen-Juan; Chang, Ze","Two coordination polymers with enhanced ligand-centered luminescence and assembly imparted sensing ability for acetone","Journal of Materials Chemistry A","2014","2","25","9469","","10.1039/c4ta00944d","","","0.71073","MoKα","","0.0729","0.051","","","0.0869","0.0936","","","","","","1.077","","","","has coordinates","233283","2020-10-21","18:00:00",""
"7235737","10.39","0.002","15.238","0.003","28.827","0.006","90","","95.33","0.03","90","","4544.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H28 Cd N6 O4 -","- C41 H28 Cd N6 O4 -","- C164 H112 Cd4 N24 O16 -","4","1","","Li, Yue; Song, Han; Chen, Qiang; Liu, Kun; Zhao, Fang-Yao; Ruan, Wen-Juan; Chang, Ze","Two coordination polymers with enhanced ligand-centered luminescence and assembly imparted sensing ability for acetone","Journal of Materials Chemistry A","2014","2","25","9469","","10.1039/c4ta00944d","","","0.71073","MoKα","","0.1942","0.0846","","","0.202","0.2437","","","","","","1","","","","has coordinates","233283","2020-10-21","18:00:00",""
"7235738","32.3006","0.0007","32.3006","0.0007","7.2707","0.0002","90","","90","","120","","6569.4","0.3","294","2","294","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- C18 H11 In O7 -","- C18 H11 In O7 -","- C108 H66 In6 O42 -","6","0.25","","Du, Miao; Chen, Min; Yang, Xiao-Gang; Wen, Jiong; Wang, Xi; Fang, Shao-Ming; Liu, Chun-Sen","A channel-type mesoporous In(iii)‒carboxylate coordination framework with high physicochemical stability for use as an electrode material in supercapacitors","J. Mater. Chem. A","2014","2","25","9828","","10.1039/C4TA00963K","","","1.54178","CuKα","","0.1109","0.0936","","","0.1934","0.2003","","","","","","1.138","","","","has coordinates","233285","2020-10-21","18:00:00",""
"7235739","32.182","0.002","32.182","0.002","7.2741","0.0004","90","","90","","120","","6524.3","0.7","294","2","294","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- C18 H11 In O7 -","- C18 H11 In O7 -","- C108 H66 In6 O42 -","6","0.25","","Du, Miao; Chen, Min; Yang, Xiao-Gang; Wen, Jiong; Wang, Xi; Fang, Shao-Ming; Liu, Chun-Sen","A channel-type mesoporous In(iii)‒carboxylate coordination framework with high physicochemical stability for use as an electrode material in supercapacitors","J. Mater. Chem. A","2014","2","25","9828","","10.1039/C4TA00963K","","","1.54178","CuKα","","0.2002","0.1676","","","0.4097","0.4309","","","","","","1.299","","","","has coordinates","233285","2020-10-21","18:00:00",""
"7235740","32.2297","0.0013","32.2297","0.0013","7.2618","0.0004","90","","90","","120","","6532.6","0.5","294","2","294","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- C18 H11 In O7 -","- C18 H11 In O7 -","- C108 H66 In6 O42 -","6","0.25","","Du, Miao; Chen, Min; Yang, Xiao-Gang; Wen, Jiong; Wang, Xi; Fang, Shao-Ming; Liu, Chun-Sen","A channel-type mesoporous In(iii)‒carboxylate coordination framework with high physicochemical stability for use as an electrode material in supercapacitors","J. Mater. Chem. A","2014","2","25","9828","","10.1039/C4TA00963K","","","1.54178","CuKα","","0.1687","0.1063","","","0.2962","0.341","","","","","","1.039","","","","has coordinates","233285","2020-10-21","18:00:00",""
"7235741","12.4915","0.0011","8.6489","0.0007","22.5002","0.0019","90","","90.477","0.003","90","","2430.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 Cl2 Hg2 N4 O18 S2 -","- C40 H58 Cl2 Hg2 N4 O18 S2 -","- C80 H116 Cl4 Hg4 N8 O36 S4 -","2","0.5","","López, Kenia A.; Piña, M. Nieves; Quiñonero, David; Ballester, Pablo; Morey, Jeroni","Highly efficient coordination of Hg2+and Pb2+metals in water with squaramide-coated Fe3O4nanoparticles","J. Mater. Chem. A","2014","2","23","8796","","10.1039/C4TA00990H","","","0.71073","MoKα","","0.064","0.0365","","","0.0821","0.091","","","","","","1.101","","","","has coordinates,has disorder","233286","2020-10-21","18:00:00",""
"7235742","18.085","0.006","9.034","0.003","22.337","0.008","90","","100.725","0.004","90","","3586","2","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C25 H17 N2 O6 Zn -","- C25 H17 N2 O6 Zn -","- C100 H68 N8 O24 Zn4 -","4","1","","Ren, Cai-Xia; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Ya-Jun; Zhang, Jie","π-Conjugation-directed highly selective adsorption of benzene over cyclohexane","Journal of Materials Chemistry A","2014","2","24","9015","","10.1039/c4ta01231c","","","0.71073","MoKα","","0.0695","0.0572","","","0.1687","0.1778","","","","","","1.015","","","","has coordinates","233289","2020-10-21","18:00:00",""
"7235743","16.2561","0.0006","9.0343","0.0002","20.6184","0.0006","90","","90.954","0.003","90","","3027.65","0.16","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C23 H15 N2 O6 Zn -","- C23 H15 N2 O6 Zn -","- C92 H60 N8 O24 Zn4 -","4","1","","Ren, Cai-Xia; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Ya-Jun; Zhang, Jie","π-Conjugation-directed highly selective adsorption of benzene over cyclohexane","Journal of Materials Chemistry A","2014","2","24","9015","","10.1039/c4ta01231c","","","1.54178","CuKα","","0.0592","0.0491","","","0.1501","0.1593","","","","","","1.066","","","","has coordinates","233289","2020-10-21","18:00:00",""
"7235744","7.8761","0.0006","10.7803","0.0008","31.713","0.002","94.262","0.003","93.003","0.003","90.461","0.004","2681.3","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 N3 O2 S3 -","- C28 H31 N3 O2 S3 -","- C112 H124 N12 O8 S12 -","4","2","","Li, Hairong; Sun, Shuangyong; Mhaisalkar, Subodh; Zin, Melvin T.; Lam, Yeng Ming; Grimsdale, Andrew C.","A high voltage solar cell using a donor–acceptor conjugated polymer based on pyrrolo[3,4-f]-2,1,3-benzothiadiazole-5,7-dione","J. Mater. Chem. A","2014","2","42","17925","","10.1039/C4TA01248H","","","0.71073","MoKα","","0.1355","0.0703","","","0.0808","0.0878","","","","3.49","3.49","2.73","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235745","6.473","0.0013","7.97","0.0016","10.577","0.002","101.69","0.03","102.84","0.03","105.7","0.03","491.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Mn2 N2 O10 -","- C16 H24 Mn2 N2 O10 -","- C16 H24 Mn2 N2 O10 -","1","0.5","","Lee, Jae Hwa; Sa, Young Jin; Kim, Tae Kyung; Moon, Hoi Ri; Joo, Sang Hoon","A transformative route to nanoporous manganese oxides of controlled oxidation states with identical textural properties","J. Mater. Chem. A","2014","2","27","10435","","10.1039/C4TA01272K","","","0.69999","MoKα","","0.0384","0.0379","","","0.1079","0.1082","","","","","","1.093","","","","has coordinates","233292","2020-10-21","18:00:00",""
"7235751","8.451","0.006","9.412","0.007","13.827","0.01","90","","106.097","0.006","90","","1056.7","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,10-di(butyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene","","- C22 H20 O2 S4 -","- C22 H20 O2 S4 -","- C44 H40 O4 S8 -","2","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.0613","0.0475","","","0.1268","0.1398","","","","","","1.051","","","","has coordinates","233295","2020-10-21","18:00:00",""
"7235752","8.568","0.01","17.79","0.02","9.479","0.011","90","","99.479","0.012","90","","1425","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,10-Di(octyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene","","- C30 H38 N0 O2 S4 -","- C30 H38 O2 S4 -","- C60 H76 O4 S8 -","2","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.058","0.0391","","","0.0928","0.1083","","","","","","1.071","","","","has coordinates","233295","2020-10-21","18:00:00",""
"7235753","7.507","0.004","9.506","0.005","13.155","0.007","81.79","0.006","76.147","0.006","89.255","0.006","901.9","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5,10-di(dodecyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene","","- C38 H54 O2 S4 -","- C38 H54 O2 S4 -","- C38 H54 O2 S4 -","1","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.0934","0.0631","","","0.1481","0.1592","","","","","","1.292","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235754","6.33","0.004","21.41","0.014","9.618","0.007","90","","103.021","0.007","90","","1270","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,10-bis(trimethylsilylethynyl)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']di- thiophene","","- C24 H22 S4 Si2 -","- C24 H22 S4 Si2 -","- C48 H44 S8 Si4 -","2","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.1166","0.0657","","","0.1178","0.1412","","","","","","1.197","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235755","13.8054","0.0014","13.8054","0.0014","27.53","0.005","90","","90","","90","","5246.9","1.2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H12 N28 O2 Pb2 -","- C12 H12 N28 O2 Pb2 -","- C96 H96 N224 O16 Pb16 -","8","0.5","","Gao, Wenjuan; Liu, Xiangyu; Su, Zhiyong; Zhang, Sheng; Yang, Qi; Wei, Qing; Chen, Sanping; Xie, Gang; Yang, Xuwu; Gao, Shengli","High-energy-density materials with remarkable thermostability and insensitivity: syntheses, structures and physicochemical properties of Pb(ii) compounds with 3-(tetrazol-5-yl) triazole","Journal of Materials Chemistry A","2014","2","30","11958","","10.1039/C4TA01746C","","","0.71073","MoKα","","0.0368","0.0298","","","0.0611","0.0633","","","","","","0.903","","","","has coordinates","233296","2020-10-21","18:00:00",""
"7235756","3.901","0.0016","23.862","0.01","7.561","0.003","90","","104.419","0.006","90","","681.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H3 N7 O Pb -","- C3 H3 N7 O Pb -","- C12 H12 N28 O4 Pb4 -","4","1","","Gao, Wenjuan; Liu, Xiangyu; Su, Zhiyong; Zhang, Sheng; Yang, Qi; Wei, Qing; Chen, Sanping; Xie, Gang; Yang, Xuwu; Gao, Shengli","High-energy-density materials with remarkable thermostability and insensitivity: syntheses, structures and physicochemical properties of Pb(ii) compounds with 3-(tetrazol-5-yl) triazole","Journal of Materials Chemistry A","2014","2","30","11958","","10.1039/C4TA01746C","","","0.71073","MoKα","","0.0811","0.0731","","","0.2065","0.22","","","","","","1.036","","","","has coordinates","233296","2020-10-21","18:00:00",""
"7235757","13.673","0.005","13.673","0.005","22.794","0.005","90","0.005","90","0.005","90","0.005","4261","2","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C8 H6 N6 O4 Zn2 -","- C8 H6 N6 O4 Zn2 -","- C64 H48 N48 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0429","0.0322","","","0.0916","0.0954","","","","","","1.027","","","","has coordinates","233299","2020-10-21","18:00:00",""
"7235758","13.53","0.005","13.53","0.005","27.172","0.005","90","","90","","90","","4974","3","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H8 N7 O4 Zn2 -","- C12 H8 N7 O4 Zn2 -","- C96 H64 N56 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0506","0.0414","","","0.1524","0.1583","","","","","","1.087","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235759","13.635","0.005","13.635","0.005","27.026","0.005","90","","90","","90","","5024","3","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C12 H6.5 Br N6 O4 Zn2 -","- C12 H6.5 Br N6 O4 Zn2 -","- C96 H52 Br8 N48 O32 Zn16 -","8","1","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.1051","0.0855","","","0.2752","0.293","","","","","","1.165","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235760","13.794","0.005","13.794","0.005","27.262","0.005","90","","90","","90","","5187","3","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H10 N6 O4 Zn2 -","- C16 H10 N6 O4 Zn2 -","- C128 H80 N48 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0987","0.0792","","","0.1954","0.2037","","","","","","1.094","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235761","13.628","0.005","13.644","0.005","19.08","0.005","109.41","","91.29","","90.88","","3344.3","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N6 O5 Zn2 -","- C18 H12 N6 O5 Zn2 -","- C72 H48 N24 O20 Zn8 -","4","2","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0788","0.0558","","","0.1338","0.14","","","","","","1.038","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235762","6.8","0.0024","31.727","0.01","18.356","0.0033","90","","90","","90","","3960","2","298","","298","","","","","","","","","4","I m m a","-I 2b 2","74","","(1,4-bis(1H-pyrazol-4-ylethynyl)benzene)-(Ni(ii))","","- C16 H8 N4 Ni -","- C20 H12 N4 Ni -","- C80 H48 N16 Ni4 -","4","0.25","","Galli, S.; Maspero, A.; Giacobbe, C.; Palmisano, G.; Nardo, L.; Comotti, A.; Bassanetti, I.; Sozzani, P.; Masciocchi, N.","When long bis(pyrazolates) meet late transition metals: structure, stability and adsorption of metal‒organic frameworks featuring large parallel channels","Journal of Materials Chemistry A","2014","2","31","12208","","10.1039/C4TA01798F","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","233302","2020-10-21","18:00:00",""
"7235763","25.3033","0.0036","26.4643","0.0034","7.30733","0.00063","90","","90","","90","","4893.2","1","298","","298","","","","","","","","","4","C c c m","-C 2 2c","66","","(1,4-bis(1H-pyrazol-4-ylethynyl)benzene)-(Zn(ii))","","- C16 H8 N4 Zn -","- C16 H8 N4 Zn -","- C128 H64 N32 Zn8 -","8","0.5","","Galli, S.; Maspero, A.; Giacobbe, C.; Palmisano, G.; Nardo, L.; Comotti, A.; Bassanetti, I.; Sozzani, P.; Masciocchi, N.","When long bis(pyrazolates) meet late transition metals: structure, stability and adsorption of metal‒organic frameworks featuring large parallel channels","Journal of Materials Chemistry A","2014","2","31","12208","","10.1039/C4TA01798F","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","233303","2020-10-21","18:00:00",""
"7235764","7.3968","0.0053","36.3567","0.0025","63.4375","0.0097","90","","90","","90","","17060","13","298","","298","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","tris(1,4-bis(1H-pyrazol-4-ylethynyl)benzene)-bis(fe(iii))","","- C48 H24 Fe2 N12 -","- C48 H24 Fe2 N12 -","- C384 H192 Fe16 N96 -","8","0.25","","Galli, S.; Maspero, A.; Giacobbe, C.; Palmisano, G.; Nardo, L.; Comotti, A.; Bassanetti, I.; Sozzani, P.; Masciocchi, N.","When long bis(pyrazolates) meet late transition metals: structure, stability and adsorption of metal‒organic frameworks featuring large parallel channels","Journal of Materials Chemistry A","2014","2","31","12208","","10.1039/C4TA01798F","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","233305","2020-10-21","18:00:00",""
"7235765","18.4951","0.0007","18.4951","0.0007","46.337","0.003","90","","90","","120","","13726.9","1.2","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C48 H24 Cu3 O15 -","- C48 H24 Cu3 O15 -","- C288 H144 Cu18 O90 -","6","0.166667","","Wen, Hui-Min; Li, Bin; Yuan, Daqiang; Wang, Hailong; Yildirim, Taner; Zhou, Wei; Chen, Banglin","A porous metal‒organic framework with an elongated anthracene derivative exhibiting a high working capacity for the storage of methane","Journal of Materials Chemistry A","2014","2","29","11516","","10.1039/c4ta01860e","","","1.5418","CuKα","","0.129","0.1073","","","0.2991","0.3276","","","","","","1.202","","","","has coordinates","233306","2020-10-21","18:00:00",""
"7235766","17.298","0.008","13.402","0.006","18.056","0.008","90","","96.196","0.006","90","","4161","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 Ni2 O11 -","- C26 H20 N2 Ni2 O11 -","- C104 H80 N8 Ni8 O44 -","4","0.5","","Zheng, Xiaofang; Zhou, Li; Huang, Yumei; Wang, Chenggang; Duan, Jingui; Wen, Lili; Tian, Zhengfang; Li, Dongfeng","A series of metal‒organic frameworks based on 5-(4-pyridyl)-isophthalic acid: selective sorption and fluorescence sensing","Journal of Materials Chemistry A","2014","2","31","12413","","10.1039/C4TA01900H","","","0.71073","MoKα","","0.0739","0.0607","","","0.1795","0.1903","","","","","","1.102","","","","has coordinates,has disorder","233308","2020-10-21","18:00:00",""
"7235767","10.9495","0.0017","22.0856","0.0014","28.3314","0.001","100.496","0.002","99.542","0.003","101.674","0.002","6449.6","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C212 H231 N25 Ni12 O78 -","- C212 H231 N25 Ni12 O78 -","- C212 H231 N25 Ni12 O78 -","1","0.5","","Zheng, Xiaofang; Zhou, Li; Huang, Yumei; Wang, Chenggang; Duan, Jingui; Wen, Lili; Tian, Zhengfang; Li, Dongfeng","A series of metal‒organic frameworks based on 5-(4-pyridyl)-isophthalic acid: selective sorption and fluorescence sensing","Journal of Materials Chemistry A","2014","2","31","12413","","10.1039/C4TA01900H","","","0.71073","MoKα","","0.069","0.0557","","","0.1551","0.1572","","","","","","1.006","","","","has coordinates","233308","2020-10-21","18:00:00",""
"7235768","20.365","0.003","20.119","0.003","17.311","0.003","90","","103.166","0.003","90","","6906.3","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H49 Co2 N12 O8 -","- C71 H49 Co2 N12 O8 -","- C284 H196 Co8 N48 O32 -","4","1","","Zheng, Xiaofang; Zhou, Li; Huang, Yumei; Wang, Chenggang; Duan, Jingui; Wen, Lili; Tian, Zhengfang; Li, Dongfeng","A series of metal‒organic frameworks based on 5-(4-pyridyl)-isophthalic acid: selective sorption and fluorescence sensing","Journal of Materials Chemistry A","2014","2","31","12413","","10.1039/C4TA01900H","","","0.71073","MoKα","","0.0885","0.0541","","","0.1504","0.1656","","","","","","0.988","","","","has coordinates","233308","2020-10-21","18:00:00",""
"7235769","14.9438","0.0005","14.9438","0.0005","10.129","0.0007","90","","90","","90","","2261.98","0.19","273","2","273","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C22 H14 N3 O5 Zn -","- C22 H14 N3 O5 Zn -","- C88 H56 N12 O20 Zn4 -","4","0.5","","Zheng, Xiaofang; Zhou, Li; Huang, Yumei; Wang, Chenggang; Duan, Jingui; Wen, Lili; Tian, Zhengfang; Li, Dongfeng","A series of metal‒organic frameworks based on 5-(4-pyridyl)-isophthalic acid: selective sorption and fluorescence sensing","Journal of Materials Chemistry A","2014","2","31","12413","","10.1039/C4TA01900H","","","0.71073","MoKα","","0.0719","0.0607","","","0.2101","0.2228","","","","","","1.216","","","","has coordinates,has disorder","233308","2020-10-21","18:00:00",""
"7235770","20.2644","0.0006","19.1216","0.0007","26.8248","0.0008","90","","101.184","0.003","90","","10196.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H37 N4 O15.5 Zn3 -","- C48 H21.5 N4 O15.5 Zn3 -","- C384 H172 N32 O124 Zn24 -","8","1","","Kong, Lidan; Zou, Ruyi; Bi, Wenzhu; Zhong, Ruiqin; Mu, Weijun; Liu, Jia; Han, Ray P. S.; Zou, Ruqiang","Selective adsorption of CO2/CH4 and CO2/N2 within a charged metal‒organic framework","J. Mater. Chem. A","2014","2","42","17771","","10.1039/C4TA01993H","","","0.71073","MoKα","","0.1363","0.0786","","","0.2165","0.2532","","","","","","1.021","","","","has coordinates","233310","2020-10-21","18:00:00",""
"7235771","20.2644","0.0006","19.1216","0.0007","26.8248","0.0008","90","","101.184","0.003","90","","10196.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H21.5 N2 O15 Zn3 -","- C43.5 H21.5 N2 O15 Zn3 -","- C348 H172 N16 O120 Zn24 -","8","1","","Kong, Lidan; Zou, Ruyi; Bi, Wenzhu; Zhong, Ruiqin; Mu, Weijun; Liu, Jia; Han, Ray P. S.; Zou, Ruqiang","Selective adsorption of CO2/CH4 and CO2/N2 within a charged metal‒organic framework","J. Mater. Chem. A","2014","2","42","17771","","10.1039/C4TA01993H","","","0.71073","MoKα","","0.1079","0.0622","","","0.1563","0.1729","","","","","","0.967","","","","has coordinates","233310","2020-10-21","18:00:00",""
"7235772","24.369","0.005","24.336","0.004","25.55","0.005","90","","107.319","0.004","90","","14465","5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C112 H109 F14 Mo12 N21 Ni2 O42 Si8 -","- C112 H105 F14 Mo12 N21 Ni2 O42 Si8 -","- C448 H420 F56 Mo48 N84 Ni8 O168 Si32 -","4","1","","Zhou, Lei; Liu, Juan; Ji, Wenbin; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","A nickel-modified polyoxometalate towards a highly efficient catalyst for selective oxidation of hydrocarbons","Journal of Materials Chemistry A","2014","2","32","12686","","10.1039/C4TA02214A","","","0.71073","MoKα","","0.1949","0.0818","","","0.1824","0.2224","","","","","","0.994","","","","has coordinates","233312","2020-10-21","18:00:00",""
"7235773","27.72","0.006","5.806","0.0012","7.553","0.0015","90","","92.7","0.03","90","","1214.2","0.4","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Na2 O5 -","- C14 H8 Na2 O5 -","- C56 H32 Na8 O20 -","4","1","","Choi, Aram; Kim, Yun Kyeong; Kim, Tae Kyung; Kwon, Mi-Sook; Lee, Kyu Tae; Moon, Hoi Ri","4,4′-Biphenyldicarboxylate sodium coordination compounds as anodes for Na-ion batteries","J. Mater. Chem. A","2014","2","36","14986","","10.1039/C4TA02424A","","","0.64999","","","0.0374","0.035","","","0.0982","0.0997","","","","","","1.026","","","","has coordinates","233314","2020-10-21","18:00:00",""
"7235774","3.655","0.0007","11.214","0.002","12.985","0.003","89.55","0.03","84.39","0.03","88.78","0.03","529.54","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 N0 Na O4 -","- C14 H9 Na O4 -","- C28 H18 Na2 O8 -","2","1","","Choi, Aram; Kim, Yun Kyeong; Kim, Tae Kyung; Kwon, Mi-Sook; Lee, Kyu Tae; Moon, Hoi Ri","4,4′-Biphenyldicarboxylate sodium coordination compounds as anodes for Na-ion batteries","J. Mater. Chem. A","2014","2","36","14986","","10.1039/C4TA02424A","","","0.69999","","","0.0748","0.0623","","","0.172","0.1859","","","","","","1.002","","","","has coordinates","233314","2020-10-21","18:00:00",""
"7235775","16.182","0.003","9.47","0.0019","16.361","0.003","90","","111.28","0.03","90","","2336.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Co3 N4 O16 -","- C36 H40 Co3 N4 O16 -","- C72 H80 Co6 N8 O32 -","2","0.5","","Lee, Kyung Joo; Kim, Tae-Hee; Kim, Tae Kyung; Lee, Jae Hwa; Song, Hyun-Kon; Moon, Hoi Ri","Preparation of Co3O4 electrode materials with different microstructures via pseudomorphic conversion of Co-based metal‒organic frameworks","J. Mater. Chem. A","2014","2","35","14393","","10.1039/C4TA02501F","","","0.70002","","","0.1174","0.0801","","","0.216","0.2357","","","","","","0.962","","","","has coordinates","233315","2020-10-21","18:00:00",""
"7235776","7.3489","0.0015","10.969","0.002","16.002","0.003","72.51","0.03","78.52","0.03","73.12","0.03","1168.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Co2 O10 S2 -","- C20 H20 Co2 O10 S2 -","- C40 H40 Co4 O20 S4 -","2","1","","Lee, Kyung Joo; Kim, Tae-Hee; Kim, Tae Kyung; Lee, Jae Hwa; Song, Hyun-Kon; Moon, Hoi Ri","Preparation of Co3O4 electrode materials with different microstructures via pseudomorphic conversion of Co-based metal‒organic frameworks","J. Mater. Chem. A","2014","2","35","14393","","10.1039/C4TA02501F","","","0.71073","MoKα","","0.175","0.1242","","","0.3121","0.3591","","","","","","1.183","","","","has coordinates","233315","2020-10-21","18:00:00",""
"7235777","5.186","0.002","7.387","0.003","8.416","0.004","109.629","0.004","96.52","0.006","94.311","0.007","299.5","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 Cl2 N10 O2 -","- C4 H12 Cl2 N10 O2 -","- C4 H12 Cl2 N10 O2 -","1","0.5","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71073","MoKα","","0.0402","0.0323","","","0.068","0.071","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235778","7.2555","0.0015","8.827","0.0018","9.796","0.002","90","","105.7","0.03","90","","604","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N12 O6 -","- C4 H8 N12 O6 -","- C8 H16 N24 O12 -","2","0.5","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71073","MoKα","","0.0592","0.048","","","0.1294","0.1391","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235779","5.854","0.004","8.13","0.005","10.65","0.007","109.96","0.03","96.98","0.04","100.02","0.03","460.1","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N8 O2 -","- C6 H8 N8 O2 -","- C12 H16 N16 O4 -","2","1","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71073","MoKα","","0.1082","0.0551","","","0.0919","0.1052","","","","","","1.001","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235780","4.9462","0.0009","7.1522","0.0017","9.503","0.002","97.491","0.007","94.118","0.008","99.293","0.008","327.45","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Cl2 N10 O8 -","- C4 H8 Cl2 N10 O8 -","- C4 H8 Cl2 N10 O8 -","1","0.5","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71075","MoKα","","0.033","0.0301","","","0.0857","0.0868","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235781","8.1663","0.0009","9.5042","0.001","9.8518","0.0011","109.251","0.001","93.241","0.001","115.054","0.001","636.53","0.12","140","1","140","1","","","","","","","","7","P -1","-P 1","2","","","","- C7 H15 B F3 N3 O3 S -","- C7 H15 B F3 N3 O3 S -","- C14 H30 B2 F6 N6 O6 S2 -","2","1","","Rekken, B. D.; Carre-Burritt, A. E.; Scott, B. L.; Davis, B. L.","N-substituted amine-borane ionic liquids as fluid phase, hydrogen storage materials","J. Mater. Chem. A","2014","2","39","16507","","10.1039/C4TA03853C","","","0.71073","MoKα","","0.0342","0.0311","","","0.0815","0.0839","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235782","8.954","0.005","11.908","0.007","18.248","0.01","108.424","0.008","99.976","0.007","93.421","0.007","1804.4","1.8","140","1","140","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H25 Cl N3 Si2 -","- C12 H25 Cl N3 Si2 -","- C48 H100 Cl4 N12 Si8 -","4","2","","Rekken, B. D.; Carre-Burritt, A. E.; Scott, B. L.; Davis, B. L.","N-substituted amine-borane ionic liquids as fluid phase, hydrogen storage materials","J. Mater. Chem. A","2014","2","39","16507","","10.1039/C4TA03853C","","","0.71073","MoKα","","0.1726","0.1061","","","0.2971","0.3351","","","","","","1.085","","","","has coordinates,has disorder","233318","2020-10-21","18:00:00",""
"7235783","10.2973","0.0011","13.2211","0.0014","8.8908","0.0009","90","","112.762","0.001","90","","1116.1","0.2","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl2 N3 -","- C7 H15 Cl2 N3 -","- C28 H60 Cl8 N12 -","4","1","","Rekken, B. D.; Carre-Burritt, A. E.; Scott, B. L.; Davis, B. L.","N-substituted amine-borane ionic liquids as fluid phase, hydrogen storage materials","J. Mater. Chem. A","2014","2","39","16507","","10.1039/C4TA03853C","","","0.71073","MoKα","","0.0356","0.0283","","","0.0653","0.0682","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235784","7.41851","0.00017","40.3306","0.0011","11.5514","0.0003","90","","99.732","0.002","90","","3406.36","0.15","143.05","0.1","143.05","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N2 O4 -","- C40 H36 N2 O4 -","- C160 H144 N8 O16 -","4","1","","Yang, Lin; Yang, Qianqian; Yang, Daobin; Luo, Qian; Zhu, Youqin; Huang, Yan; Zhao, Suling; Lu, Zhiyun","Marked effects of indolyl vs. indolinyl substituent on solid-state structure, carrier mobility and photovoltaic efficiency of asymmetrical squaraine dyes","J. Mater. Chem. A","2014","2","43","18313","","10.1039/C4TA03859B","","","0.71073","MoKα","","0.0666","0.0561","","","0.146","0.1524","","","","","","1.061","","","","has coordinates,has disorder","233320","2020-10-21","18:00:00",""
"7235785","13.6013","0.0007","15.386","0.0006","15.6472","0.0009","90","","109.803","0.004","90","","3080.8","0.3","140","2","140.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 N2 O4 -","- C40 H38 N2 O4 -","- C160 H152 N8 O16 -","4","1","","Yang, Lin; Yang, Qianqian; Yang, Daobin; Luo, Qian; Zhu, Youqin; Huang, Yan; Zhao, Suling; Lu, Zhiyun","Marked effects of indolyl vs. indolinyl substituent on solid-state structure, carrier mobility and photovoltaic efficiency of asymmetrical squaraine dyes","J. Mater. Chem. A","2014","2","43","18313","","10.1039/C4TA03859B","","","1.54178","CuKα","","0.1119","0.0777","","","0.2034","0.2364","","","","","","1.02","","","","has coordinates,has disorder","233320","2020-10-21","18:00:00",""
"7235786","7.124","0.002","8.642","0.003","10.941","0.004","100.173","0.002","106.167","0.004","102.307","0.004","611.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 N10 O8 -","- C6 H6 N10 O8 -","- C12 H12 N20 O16 -","2","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0621","0.0422","","","0.098","0.1067","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235787","13.012","0.003","6.3771","0.0012","19.435","0.004","90","","90.668","0.002","90","","1612.6","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N15 O8 -","- C8 H9 N15 O8 -","- C32 H36 N60 O32 -","4","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0443","0.0392","","","0.1017","0.1062","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235788","10.6525","0.0018","10.1569","0.0017","11.3404","0.0019","90","","96.259","0.002","90","","1219.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N10 O8 -","- C6 H4 N10 O8 -","- C24 H16 N40 O32 -","4","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0708","0.0561","","","0.1406","0.1517","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235789","30.534","0.007","9.1162","0.0019","12.213","0.003","90","","107.504","0.003","90","","3242.1","1.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 N14 O8 -","- C7 H10 N14 O8 -","- C56 H80 N112 O64 -","8","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0632","0.0476","","","0.125","0.1385","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235790","14.9","0.004","24.324","0.006","16.253","0.006","90","","113.233","0.004","90","","5413","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H25.5 N3.5 O6.5 Zn -","- C27.5 H25.5 N3.5 O6.5 Zn -","- C220 H204 N28 O52 Zn8 -","8","1","","Masoomi, Mohammad Yaser; Beheshti, Saeideh; Morsali, Ali","Mechanosynthesis of new azine-functionalized Zn(ii) metal‒organic frameworks for improved catalytic performance","J. Mater. Chem. A","2014","2","40","16863","","10.1039/C4TA04001E","","","0.71073","MoKα","","0.1083","0.078","","","0.2189","0.2387","","","","","","1.161","","","","has coordinates,has disorder","233324","2020-10-21","18:00:00",""
"7235791","10.7461","0.0002","20.0351","0.0004","21.4593","0.0004","90","","92.389","0.001","90","","4616.15","0.15","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.28 H42.28 Cl1.45 N2.28 O P4 Se2 -","- C49.2684 H42.2968 Cl1.4568 N2.27 O P4 Se2 -","- C197.074 H169.187 Cl5.8272 N9.08 O4 P16 Se8 -","4","0.5","","Akhtar, Masood; Malik, Mohammad Azad; Raftery, James; O'Brien, Paul","Synthesis of iron selenide nanocrystals and thin films from bis(tetraisopropyldiselenoimidodiphosphinato)iron(ii) and bis(tetraphenyldiselenoimidodiphosphinato)iron(ii) complexes","J. Mater. Chem. A","2014","2","48","20612","","10.1039/C4TA04054F","","","1.54178","CuKα","","0.0317","0.0283","","","0.0737","0.0757","","","","","","1.063","","","","has coordinates,has disorder","233326","2020-10-21","18:00:00",""
"7235792","10.0919","0.0005","12.9751","0.0006","18.0953","0.0008","89.753","0.003","82.344","0.002","77.988","0.002","2296.25","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Fe N2 P4 Se4 -","- C48 H40 Fe N2 P4 Se4 -","- C96 H80 Fe2 N4 P8 Se8 -","2","1","","Akhtar, Masood; Malik, Mohammad Azad; Raftery, James; O'Brien, Paul","Synthesis of iron selenide nanocrystals and thin films from bis(tetraisopropyldiselenoimidodiphosphinato)iron(ii) and bis(tetraphenyldiselenoimidodiphosphinato)iron(ii) complexes","J. Mater. Chem. A","2014","2","48","20612","","10.1039/C4TA04054F","","","1.54178","CuKα","","0.0661","0.0589","","","0.1703","0.1781","","","","","","1.565","","","","has coordinates","233326","2020-10-21","18:00:00",""
"7235796","30.5557","0.0017","30.5557","0.0017","30.5557","0.0017","90","","90","","90","","28528","3","183","2","183","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C320 H234 N8 O125 Zn32 -","- C288 H144 O104 Zn32 -","- C288 H144 O104 Zn32 -","1","0.00520833","","Barman, Samir; Khutia, Anupam; Koitz, Ralph; Blacque, Olivier; Furukawa, Hiroyasu; Iannuzzi, Marcella; Yaghi, Omar M.; Janiak, Christoph; Hutter, Jürg; Berke, Heinz","Synthesis and hydrogen adsorption properties of internally polarized 2,6-azulenedicarboxylate based metal‒organic frameworks","J. Mater. Chem. A","2014","2","44","18823","","10.1039/C4TA04393F","","","0.71073","MoKα","","0.2245","0.1443","","","0.339","0.3752","","","","","","1.123","","","","has coordinates","233330","2020-10-21","18:00:00",""
"7235797","16.052","0.005","21.172","0.005","9.625","0.005","90","0.005","90","0.005","90","0.005","3271","2","153","2","153","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C15 H12 N O4 Zn -","- C15 H12 N O4 Zn -","- C60 H48 N4 O16 Zn4 -","4","0.25","","Barman, Samir; Khutia, Anupam; Koitz, Ralph; Blacque, Olivier; Furukawa, Hiroyasu; Iannuzzi, Marcella; Yaghi, Omar M.; Janiak, Christoph; Hutter, Jürg; Berke, Heinz","Synthesis and hydrogen adsorption properties of internally polarized 2,6-azulenedicarboxylate based metal‒organic frameworks","J. Mater. Chem. A","2014","2","44","18823","","10.1039/C4TA04393F","","","0.71073","MoKα","","0.0799","0.072","","","0.2116","0.2145","","","","","","1.086","","","","has coordinates","233330","2020-10-21","18:00:00",""
"7235798","17.3863","0.0012","17.9923","0.0011","10.7535","0.0007","90","","125.455","0.005","90","","2740.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H36 N12 O36 Tb2 Zn3 -","- C30 H36 N12 O36 Tb2 Zn3 -","- C60 H72 N24 O72 Tb4 Zn6 -","2","0.25","","Zhang, Huan; Ma, Jiangong; Chen, Diming; Zhou, Jingmin; Zhang, Shaowei; Shi, Wei; Cheng, Peng","Microporous heterometal‒organic framework as a sensor for BTEX with high selectivity","J. Mater. Chem. A","2014","2","48","20450","","10.1039/C4TA04396K","","","0.71073","MoKα","","0.0274","0.0252","","","0.067","0.0684","","","","","","1.046","","","","has coordinates","233332","2020-10-21","18:00:00",""
"7235799","17.3855","0.0015","17.8778","0.0017","10.7117","0.0008","90","","125.437","0.006","90","","2712.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H36 Co3 N12 O36 Tb2 -","- C30 H36 Co3 N12 O36 Tb2 -","- C60 H72 Co6 N24 O72 Tb4 -","2","0.25","","Zhang, Huan; Ma, Jiangong; Chen, Diming; Zhou, Jingmin; Zhang, Shaowei; Shi, Wei; Cheng, Peng","Microporous heterometal‒organic framework as a sensor for BTEX with high selectivity","J. Mater. Chem. A","2014","2","48","20450","","10.1039/C4TA04396K","","","0.71073","MoKα","","0.0713","0.0527","","","0.1288","0.1552","","","","","","1.101","","","","has coordinates","233332","2020-10-21","18:00:00",""
"7235801","7.2312","0.0001","10.8165","0.0002","19.6313","0.0014","90","","92.125","0.007","90","","1534.43","0.12","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cl2 Mg2 O6 -","- C28 H42 Cl2 Mg2 O6 -","- C56 H84 Cl4 Mg4 O12 -","2","0.5","","Nelson, Emily G.; Brody, Scott I.; Kampf, Jeff W.; Bartlett, Bart M.","A magnesium tetraphenylaluminate battery electrolyte exhibits a wide electrochemical potential window and reduces stainless steel corrosion","J. Mater. Chem. A","2014","2","43","18194","","10.1039/C4TA04625K","","","1.54178","CuKα","","0.0463","0.0436","","","0.1229","0.1257","","","","","","1.139","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235802","12.8707","0.0007","19.0698","0.0004","12.8991","0.0007","90","","102.113","0.004","90","","3095.5","0.3","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 Cl2 Mg4 O12 -","- C60.0008 H78.0016 Cl2 Mg4 O12.0002 -","- C120.002 H156.003 Cl4 Mg8 O24.0004 -","2","0.5","","Nelson, Emily G.; Brody, Scott I.; Kampf, Jeff W.; Bartlett, Bart M.","A magnesium tetraphenylaluminate battery electrolyte exhibits a wide electrochemical potential window and reduces stainless steel corrosion","J. Mater. Chem. A","2014","2","43","18194","","10.1039/C4TA04625K","","","1.54178","CuKα","","0.0358","0.0343","","","0.0915","0.0927","","","","","","1.053","","","","has coordinates,has disorder","233337","2020-10-21","18:00:00",""
"7235803","5.3336","0.0013","7.9688","0.0019","25.494","0.006","90","","94.454","0.003","90","","1080.3","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-di-nitro-NNO-azoxytoluene","","- C7 H6 N6 O6 -","- C7 H6 N6 O6 -","- C28 H24 N24 O24 -","4","1","","Wang, Yuan; Li, Shenghua; Li, Yuchuan; Zhang, Rubo; Wang, Dong; Pang, Siping","A comparative study of the structure, energetic performance and stability of nitro-NNO-azoxy substituted explosives","J. Mater. Chem. A","2014","2","48","20806","","10.1039/C4TA04716H","","","0.71073","MoKα","","0.049","0.0393","","","0.0996","0.1061","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235804","5.2932","0.0015","29.236","0.008","6.907","0.002","90","","98.746","0.004","90","","1056.4","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-dinitro-4-nitro-NNO-azoxytoluene","","- C7 H5 N5 O7 -","- C7 H5 N5 O7 -","- C28 H20 N20 O28 -","4","1","","Wang, Yuan; Li, Shenghua; Li, Yuchuan; Zhang, Rubo; Wang, Dong; Pang, Siping","A comparative study of the structure, energetic performance and stability of nitro-NNO-azoxy substituted explosives","J. Mater. Chem. A","2014","2","48","20806","","10.1039/C4TA04716H","","","0.71073","MoKα","","0.0593","0.0461","","","0.1185","0.129","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235805","21.625","0.003","10.006","0.0013","14.057","0.0017","90","","91.401","0.007","90","","3040.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Yttrium carboxylate","","","- C30 H30 N0 O15 Y2 -","- C30 H30 O15 Y2 -","- C120 H120 O60 Y8 -","4","1","","Singha, Debal Kanti; Bhattacharya, Saurav; Majee, Prakash; Mondal, Sudip Kumar; Kumar, Manoranjan; Mahata, Partha","Optical detection of submicromolar levels of nitro explosives by a submicron sized metal‒organic phosphor material","J. Mater. Chem. A","2014","2","48","20908","","10.1039/C4TA05014B","","","0.71073","MoKα","","0.0905","0.0462","","","0.0815","0.094","","","","","","0.999","","","","has coordinates","233341","2020-10-21","18:00:00",""
"7235866","17.9746","0.0013","8.2125","0.0006","21.4102","0.0015","90","","91.692","0.001","90","","3159.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Cl F6 N5 O3 P Zn -","- C29 H28 Cl F6 N5 O3 P Zn -","- C116 H112 Cl4 F24 N20 O12 P4 Zn4 -","4","1","","Wang, Junfeng; Chen, Weihua; Liu, Xiumin; Wesdemiotis, Chrys; Pang, Yi","A Mononuclear Zinc Complex for Selective Detection of Diphosphate <i>via</i> Fluorescence ESIPT Turn-On.","Journal of materials chemistry. B","2014","2","21","3349","3354","10.1039/C4TB00020J","","","0.71073","MoKα","","0.0413","0.0362","","","0.1082","0.1147","","","","","","1.098","","","","has coordinates","233390","2020-10-21","18:00:00",""
"7235867","21.86","0.02","16.453","0.016","7.184","0.007","90","","97.643","0.011","90","","2561","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H62 Cu O14 -","- C54 H62 Cu O14 -","- C108 H124 Cu2 O28 -","2","0.5","","Xu, Guoyong; Wang, Jiafeng; Liu, Tao; Wang, Mahong; Zhou, Shuangsheng; Wu, Baoxing; Jiang, Minghua","Synthesis and crystal structure of a novel copper(ii) complex of curcumin-type and its application in in vitro and in vivo imaging","J. Mater. Chem. B","2014","2","23","3659","","10.1039/C4TB00133H","","","0.71073","MoKα","","0.0629","0.0503","","","0.142","0.1557","","","","","","1.095","","","","has coordinates","233392","2020-10-21","18:00:00",""
"7235868","5.3943","0.0006","10.539","0.0012","23.866","0.003","83.743","0.003","88.425","0.003","86.784","0.003","1346.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H51 N2 O3 -","- C28 H49 N O3 -","- C56 H98 N2 O6 -","2","1","","Kashyap, Smita; Jayakannan, Manickam","Thermo-responsive and shape transformable amphiphilic scaffolds for loading and delivering anticancer drugs","Journal of Materials Chemistry B","2014","2","26","4142","","10.1039/c4tb00134f","","","0.71073","MoKα","","0.0863","0.0554","","","0.1559","0.196","","","","","","0.708","","","","has coordinates","233394","2020-10-21","18:00:00",""
"7235869","12.0614","0.001","12.2502","0.001","14.7645","0.0013","87.449","0.007","85.384","0.007","72.203","0.007","2069.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H36 Cl2 N4 O2 -","- C51 H36 Cl2 N4 O2 -","- C102 H72 Cl4 N8 O4 -","2","1","","Zhang, Ying; Wang, Jun-Hao; Zheng, Wenjie; Chen, Tianfeng; Tong, Qing-Xiao; Li, Dan","An ESIPT fluorescent dye based on HBI with high quantum yield and large Stokes shift for selective detection of Cys","J. Mater. Chem. B","2014","2","26","4159","","10.1039/C4TB00190G","","","1.54184","CuKα","","0.0832","0.072","","","0.2514","0.2817","","","","","","1","","","","has coordinates","233396","2020-10-21","18:00:00",""
"7235870","10.4162","0.0008","11.3223","0.0008","11.4154","0.0008","117.225","0.001","102.711","0.001","91.607","0.001","1154.87","0.15","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H22 N6 -","- C28 H22 N6 -","- C56 H44 N12 -","2","1","","Liang, Jing; Shi, Haibin; Kwok, Ryan T. K.; Gao, Meng; Yuan, Youyong; Zhang, Wenhua; Tang, Ben Zhong; Liu, Bin","Distinct optical and kinetic responses from E/Z isomers of caspase probes with aggregation-induced emission characteristics","J. Mater. Chem. B","2014","2","27","4363","","10.1039/C4TB00405A","","","0.71073","MoKα","","0.0731","0.0629","","","0.1546","0.1637","","","","","","0.988","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235871","11.899","0.005","12.656","0.005","18.797","0.005","85.623","0.005","74.828","0.005","87.564","0.005","2723.3","1.7","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H54 N6 O8 -","- C62 H54 N6 O8 -","- C124 H108 N12 O16 -","2","1","","Liu, Yanqiu; Kong, Ming; Zhang, Qiong; Zhang, Zhiwen; Zhou, Hongping; Zhang, Shengyi; Li, Shengli; Wu, Jieying; Tian, Yupeng","A series of triphenylamine-based two-photon absorbing materials with AIE property for biological imaging","J. Mater. Chem. B","2014","2","33","5430","","10.1039/C4TB00464G","","","0.71069","MoKα","","0.1274","0.0764","","","0.2228","0.264","","","","","","1.046","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235872","10.717","0.005","13.917","0.005","17.565","0.005","90","0.005","92.417","0.005","90","0.005","2617.5","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N3 O2 -","- C31 H29 N3 O2 -","- C124 H116 N12 O8 -","4","1","","Liu, Yanqiu; Kong, Ming; Zhang, Qiong; Zhang, Zhiwen; Zhou, Hongping; Zhang, Shengyi; Li, Shengli; Wu, Jieying; Tian, Yupeng","A series of triphenylamine-based two-photon absorbing materials with AIE property for biological imaging","J. Mater. Chem. B","2014","2","33","5430","","10.1039/C4TB00464G","","","0.71069","MoKα","","0.1023","0.0506","","","0.139","0.1797","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235873","10.326","0.005","22.629","0.005","12.174","0.005","90","0.005","114.636","0.005","90","0.005","2585.7","1.7","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Liu, Yanqiu; Kong, Ming; Zhang, Qiong; Zhang, Zhiwen; Zhou, Hongping; Zhang, Shengyi; Li, Shengli; Wu, Jieying; Tian, Yupeng","A series of triphenylamine-based two-photon absorbing materials with AIE property for biological imaging","J. Mater. Chem. B","2014","2","33","5430","","10.1039/C4TB00464G","","","0.71069","MoKα","","0.1583","0.0688","","","0.1895","0.2322","","","","","","1.072","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235874","10.0878","0.0014","12.7641","0.0016","28.139","0.004","90","","90","","90","","3623.2","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H0 N6 O0.13 S -","- C20 H16 N2 O4 S -","- C160 H128 N16 O32 S8 -","8","1","","Zhao, Xuan-Xuan; Zhang, Jin-Feng; Liu, Wei; Zhou, Shuai; Zhou, Ze-Quan; Xiao, Yu-Hao; Xi, Gang; Miao, Jun-Ying; Zhao, Bao-Xiang","A unique dansyl-based chromogenic chemosensor for rapid and ultrasensitive hydrazine detection","J. Mater. Chem. B","2014","2","42","7344","","10.1039/C4TB01192A","","","0.71073","MOKα","","0.0791","0.0448","","","0.1041","0.1197","","","","","","1.039","","","","has coordinates","233403","2020-10-21","18:00:00",""
"7238423","11.829","0.002","12.517","0.003","18.391","0.004","90","","90","","90","","2723","1","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 N6 Ti -","- C26 H30 Cl2 N6 Ti -","- C104 H120 Cl8 N24 Ti4 -","4","1","","Zhao, Yang; Lin, Miaoshui; Chen, Zhou; Pei, Hao; Li, Yahong; Chen, Yanmei; Wang, Xiufang; Li, Lei; Cao, Yanyuan; Zhang, Yong; Li, Wu","Titanium and zirconium amido complexes supported by imidazole-containing ligands: syntheses, characterization and catalytic activities","RSC Adv.","2012","2","1","144","","10.1039/C1RA00408E","","","0.71073","MoKα","","0.0452","0.0406","","","0.0871","0.0906","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238424","8.9628","0.0018","13.517","0.003","19.262","0.004","73.96","0.03","87.86","0.03","74.76","0.03","2162.3","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 Cl4 N8 Ti -","- C44 H36 Cl4 N8 Ti -","- C88 H72 Cl8 N16 Ti2 -","2","1","","Zhao, Yang; Lin, Miaoshui; Chen, Zhou; Pei, Hao; Li, Yahong; Chen, Yanmei; Wang, Xiufang; Li, Lei; Cao, Yanyuan; Zhang, Yong; Li, Wu","Titanium and zirconium amido complexes supported by imidazole-containing ligands: syntheses, characterization and catalytic activities","RSC Adv.","2012","2","1","144","","10.1039/C1RA00408E","","","0.71073","MoKα","","0.14","0.0879","","","0.1709","0.1971","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238430","16.5695","0.0006","15.0759","0.0006","11.296","0.0006","90","","90","","90","","2821.7","0.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C36 H32 O2 -","- C36 H32 O2 -","- C144 H128 O8 -","4","1","","Zhu, Shugao; Wu, Luling; Huang, Xian","Palladium-catalyzed sequential reaction viaSonogashira coupling, isomerization, Claisen rearrangement and [4 + 2] cycloaddition sequence for the rapid synthesis of tricyclo[3.2.1.02,7]oct-3-ene derivatives","RSC Adv.","2012","2","1","132","","10.1039/C1RA00452B","","","1.54184","CuKα","","0.0715","0.0408","","","0.0865","0.0985","","","","","","0.983","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238434","19.017","0.003","19.507","0.003","15.973","0.002","90","","117.708","0.006","90","","5245.9","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H60 Hf N4 O8 -","- C54 H60 Hf N4 O8 -","- C216 H240 Hf4 N16 O32 -","4","0.5","","Kumar Saha, Tanmoy; Rajashekhar, Bijja; Chakraborty, Debashis","Alkoxides of group 4 metals containing the bis(imino)phenoxide ligand: synthesis, structural characterization and polymerization studies","RSC Adv.","2012","2","1","307","","10.1039/C1RA00543J","","","0.71073","MoKα","","0.0719","0.0411","","","0.0807","0.0917","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238435","12.07","0.002","22.74","0.005","27.72","0.006","90","","100.89","0.03","90","","7471","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H90 Cl2 N4 O4 Zr -","- C70 H90 Cl2 N4 O4 Zr -","- C280 H360 Cl8 N16 O16 Zr4 -","4","1","","Kumar Saha, Tanmoy; Rajashekhar, Bijja; Chakraborty, Debashis","Alkoxides of group 4 metals containing the bis(imino)phenoxide ligand: synthesis, structural characterization and polymerization studies","RSC Adv.","2012","2","1","307","","10.1039/C1RA00543J","","","0.71073","MoKα","","0.2163","0.0988","","","0.2589","0.3318","","","","","","0.988","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238436","12.0283","0.0003","28.2315","0.0009","21.64","0.0008","90","","98.251","0.001","90","","7272.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H104 N4 O6 Ti -","- C79 H104 N4 O6 Ti -","- C316 H416 N16 O24 Ti4 -","4","1","","Kumar Saha, Tanmoy; Rajashekhar, Bijja; Chakraborty, Debashis","Alkoxides of group 4 metals containing the bis(imino)phenoxide ligand: synthesis, structural characterization and polymerization studies","RSC Adv.","2012","2","1","307","","10.1039/C1RA00543J","","","0.71073","MoKα","","0.1316","0.0608","","","0.1471","0.1847","","","","","","0.968","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238445","10.798","0.017","15.09","0.02","27.46","0.04","90","","90","","90","","4474","11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H62 N8 O15 -","- C35 H62 N8 O15 -","- C140 H248 N32 O60 -","4","1","","Tian, Jun-Mian; Ou-Yang, Si-Sheng; Zhang, Xu; Di, Ying-Tong; Jiang, Hua-Liang; Li, Hong-Lin; Dai, Wei-Xing; Chen, Ke-Yu; Liu, Mai-Li; Hao, Xiao-Jiang; Shen, Yun-Heng; Luo, Cheng; Zhang, Wei-Dong","Experimental and computational insights into the conformations of tunicyclin E, a new cycloheptapeptide from Psammosilene tunicoides","RSC Adv.","2012","2","3","1126","","10.1039/C1RA00593F","","","0.71073","MoKα","","0.1705","0.081","","","0.1884","0.2354","","","","","","1.001","","","","has coordinates","244176","2020-10-21","18:00:00",""
"7238446","8.5808","0.0007","46.211","0.004","8.7745","0.0008","90","","90","","90","","3479.3","0.5","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C176 H168 N8 O16 -","8","1","","Kundu, Kshama; Nayak, Sandip K.","(±)-Camphor-10-sulfonic acid catalyzed direct one-pot three-component Mannich type reaction of alkyl (hetero)aryl ketones under solvent-free conditions: application to the synthesis of aminochromans","RSC Adv.","2012","2","2","480","","10.1039/C1RA00652E","","","0.71073","MoKα","","0.1316","0.0497","","","0.0941","0.1117","","","","","","0.862","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238447","9.41","0.0018","10.603","0.002","11.494","0.002","66.655","0.002","83.633","0.003","69.026","0.002","982.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H20 B F2 I N2 O2 -","- C21 H20 B F2 I N2 O2 -","- C42 H40 B2 F4 I2 N4 O4 -","2","1","","Zhu, Shilei; Zhang, Jingtuo; Vegesna, Giri; Tiwari, Ashutosh; Luo, Fen-Tair; Zeller, Matthias; Luck, Rudy; Li, Haihua; Green, Sarah; Liu, Haiying","Controlled Knoevenagel reactions of methyl groups of 1,3,5,7-tetramethyl BODIPY dyes for unique BODIPY dyes","RSC Adv.","2012","2","2","404","","10.1039/C1RA00678A","","","0.71073","MoKα","","0.0432","0.0408","","","0.0954","0.0969","","","","","","1.301","","","","has coordinates,has disorder","244178","2020-10-21","18:00:00",""
"7238448","6.5685","0.0005","8.8104","0.0006","16.478","0.001","81.757","0.001","84.965","0.001","85.897","0.001","938.42","0.11","447","2","447","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C22 H21 B F2 N2 O3 -","- C22 H21 B F2 N2 O3 -","- C44 H42 B2 F4 N4 O6 -","2","1","","Zhu, Shilei; Zhang, Jingtuo; Vegesna, Giri; Tiwari, Ashutosh; Luo, Fen-Tair; Zeller, Matthias; Luck, Rudy; Li, Haihua; Green, Sarah; Liu, Haiying","Controlled Knoevenagel reactions of methyl groups of 1,3,5,7-tetramethyl BODIPY dyes for unique BODIPY dyes","RSC Adv.","2012","2","2","404","","10.1039/C1RA00678A","","x-ray","0.71073","MoKα","","0.064","0.0477","","","0.1132","0.1258","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238451","4.3849","0.0003","23.419","0.002","11.2403","0.001","90","","100.743","0.006","90","","1134.04","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br N4 S -","- C11 H7 Br N4 S -","- C44 H28 Br4 N16 S4 -","4","1","","Neto, Brenno A. D.; Carvalho, Pedro H. P. R.; Santos, Diego C. B. D.; Gatto, Claudia C.; Ramos, Luciana M.; Vasconcelos, Nathalia M. de; Corrêa, José R.; Costa, Maísa B.; de Oliveira, Heibbe C. B.; Silva, Rafael G.","Synthesis, properties and highly selective mitochondria staining with novel, stable and superior benzothiadiazole fluorescent probes","RSC Adv.","2012","2","4","1524","","10.1039/C1RA00701G","","","0.71073","MoKα","","0.0861","0.0399","","","0.0644","0.0755","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238452","22.9294","0.0008","3.8241","0.0002","23.2133","0.0008","90","","93.832","0.002","90","","2030.89","0.15","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C11 H8 N4 S -","- C11 H8 N4 S -","- C88 H64 N32 S8 -","8","2","","Neto, Brenno A. D.; Carvalho, Pedro H. P. R.; Santos, Diego C. B. D.; Gatto, Claudia C.; Ramos, Luciana M.; Vasconcelos, Nathalia M. de; Corrêa, José R.; Costa, Maísa B.; de Oliveira, Heibbe C. B.; Silva, Rafael G.","Synthesis, properties and highly selective mitochondria staining with novel, stable and superior benzothiadiazole fluorescent probes","RSC Adv.","2012","2","4","1524","","10.1039/C1RA00701G","","","0.71073","MoKα","","0.1956","0.0622","","","0.127","0.1872","","","","","","0.93","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238453","4.32","0.004","10.637","0.004","16.09","0.004","90","0.005","94.11","0.005","90","0.005","737.5","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","2D1B","4-bromophenylboronate derivative of [5R,6S]-2-methyl-5,6-dihydroquinoline-5,6-diol","","- C16 H13 B Br N O2 -","- C16 H13 B Br N O2 -","- C32 H26 B2 Br2 N2 O4 -","2","1","","Chopard, Claude; Bertho, Gildas; Prangé, Thierry","Naphthalene-dioxygenase catalysed cis-dihydroxylation of bicyclic azaarenes","RSC Adv.","2012","2","2","605","","10.1039/C1RA00706H","","","0.71069","MoKα","","0.0526","0.0374","","","0.0802","0.0866","","","","","","1.088","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238454","12.683","0.002","4.267","0.002","14.339","0.002","90","","107.93","0.05","90","","738.3","0.4","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","7d2B","4-bromophenylboronate derivative of [7S,8R]-1-methyl- 7,8-dihydroisoquinoline-7,8-diol","","- C16 H13 B Br N O2 -","- C16 H13 B Br N O2 -","- C32 H26 B2 Br2 N2 O4 -","2","1","","Chopard, Claude; Bertho, Gildas; Prangé, Thierry","Naphthalene-dioxygenase catalysed cis-dihydroxylation of bicyclic azaarenes","RSC Adv.","2012","2","2","605","","10.1039/C1RA00706H","","","0.92","","","0.083","0.0829","","","0.2513","0.2514","","","","","","2.689","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238455","13.288","0.0003","5.6186","0.0001","22.5335","0.0005","90","","93.035","0.001","90","","1679.99","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,7-Bis-phenylethynyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine","","- C22 H14 O2 S -","- C22 H14 O2 S -","- C88 H56 O8 S4 -","4","1","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","0.71073","MoKα","","0.0612","0.0413","","","0.0895","0.0969","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238456","14.1518","0.0004","6.2943","0.0001","18.7696","0.0005","90","","109.741","0.001","90","","1573.65","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O2 S -","- C20 H12 O2 S -","- C80 H48 O8 S4 -","4","1","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","1.54178","CuKα","","0.0719","0.0633","","","0.1693","0.1815","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238457","16.462","0.0008","7.2069","0.0003","23.1514","0.0014","90","","107.172","0.006","90","","2624.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O4 S -","- C30 H30 O4 S -","- C120 H120 O16 S4 -","4","1","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","0.71073","MoKα","","0.1261","0.0508","","","0.0696","0.0821","","","","","","0.865","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238458","6.0263","0.0004","8.1335","0.0005","13.0125","0.0007","87.992","0.002","77.115","0.001","74.072","0.001","597.64","0.06","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 S2 -","- C30 H28 S2 -","- C30 H28 S2 -","1","0.5","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","0.71073","MoKα","","0.047","0.0412","","","0.1122","0.1179","","","","","","1.122","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238459","6.2158","0.0004","7.6037","0.0005","13.2115","0.001","102.29","0.002","93.687","0.002","97.016","0.002","602.91","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 S2 -","- C30 H28 S2 -","- C30 H28 S2 -","1","0.5","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","0.71073","MoKα","","0.0586","0.0492","","","0.1354","0.1461","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238460","15.2943","0.0015","15.4858","0.0015","6.421","0.0006","90","","90","","90","","1520.8","0.3","215","2","215","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C10 H20 O2 S Si2 -","- C10 H20 O2 S Si2 -","- C40 H80 O8 S4 Si8 -","4","0.5","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","0.71073","MoKα","","0.0491","0.0336","","","0.0894","0.1033","","","","","","1.094","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238461","20.6494","0.0013","35.261","0.002","10.1318","0.0006","90","","115.004","0.001","90","","6685.8","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H72 N9 O48 S12 Sm5 -","- C18 H60 N9 O48 S12 Sm5 -","- C72 H240 N36 O192 S48 Sm20 -","4","0.5","","Zhang, Deng; Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Zhu, Dunru","Structural systematic design of organic templated samarium sulfates and their luminescence property","RSC Adv.","2012","2","1","217","","10.1039/C1RA00749A","","","0.71073","MoKα","","0.0329","0.0252","","","0.0713","0.0853","","","","","","1.144","","","","has coordinates,has disorder","244183","2020-10-21","18:00:00",""
"7238462","21.761","0.004","14.877","0.002","10.4238","0.0017","90","","90","","90","","3374.6","0.9","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C8 H40 N8 O28 S7 Sm2 -","- C8 H40 N8 O28 S7 Sm2 -","- C32 H160 N32 O112 S28 Sm8 -","4","1","","Zhang, Deng; Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Zhu, Dunru","Structural systematic design of organic templated samarium sulfates and their luminescence property","RSC Adv.","2012","2","1","217","","10.1039/C1RA00749A","","","0.71073","MoKα","","0.0429","0.0325","","","0.0654","0.0688","","","","","","1.019","","","","has coordinates","244183","2020-10-21","18:00:00",""
"7238463","9.237","0.003","9.364","0.003","9.557","0.003","70.491","0.002","78.215","0.003","79.378","0.003","756.7","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H14 N O14 S3 Sm -","- C2 H14 N O14 S3 Sm -","- C4 H28 N2 O28 S6 Sm2 -","2","1","","Zhang, Deng; Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Zhu, Dunru","Structural systematic design of organic templated samarium sulfates and their luminescence property","RSC Adv.","2012","2","1","217","","10.1039/C1RA00749A","","","0.71073","MoKα","","0.0251","0.0232","","","0.0596","0.0605","","","","","","1.066","","","","has coordinates","244183","2020-10-21","18:00:00",""
"7238464","9.618","0.003","10.496","0.004","10.535","0.004","71.826","0.004","73.584","0.004","76.454","0.004","956.7","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N3 O12 S3 Sm -","- C6 H24 N3 O12 S3 Sm -","- C12 H48 N6 O24 S6 Sm2 -","2","1","","Zhang, Deng; Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Zhu, Dunru","Structural systematic design of organic templated samarium sulfates and their luminescence property","RSC Adv.","2012","2","1","217","","10.1039/C1RA00749A","","","0.71073","MoKα","","0.0494","0.0424","","","0.1088","0.114","","","","","","1.011","","","","has coordinates,has disorder","244183","2020-10-21","18:00:00",""
"7238465","11.227","0.002","8.4499","0.0017","27.587","0.006","90","","91.82","0.03","90","","2615.8","0.9","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 F3 N O3 P Pd S -","- C22 H39 F3 N O3 P Pd S -","- C88 H156 F12 N4 O12 P4 Pd4 S4 -","4","1","","Beck, John F.; Schmidt, Joseph A.R.","Hydroamination of 1,1-dimethylallene with primary aryl amines under mild conditions: An atom-economical route to N-(1,1-dimethyl-2-propenyl)-anilines","RSC Adv.","2012","2","1","128","","10.1039/C1RA00795E","","","0.71073","MoKα","","0.0421","0.0328","","","0.0762","0.0817","","","","","","1.069","","","","has coordinates","244184","2020-10-21","18:00:00",""
"7238466","10.007","0.002","19.208","0.005","15.433","0.003","90","","99.743","0.004","90","","2923.7","1.1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N4 O2 -","- C35 H36 N4 O2 -","- C140 H144 N16 O8 -","4","1","","Wu, Jieyun; Liu, Jialei; Zhou, Tingting; Bo, Shuhui; Qiu, Ling; Zhen, Zhen; Liu, Xinhou","Enhanced electro-optic coefficient (r33) in nonlinear optical chromospheres with novel donor structure","RSC Adv.","2012","2","4","1416","","10.1039/C1RA00838B","","","0.71073","MoKα","","0.1432","0.0618","","","0.0869","0.1003","","","","","","0.979","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238467","13.437","0.003","8.1496","0.0019","23.189","0.006","90","","96.921","0.004","90","","2520.8","1","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N4 O2 -","- C29 H28 N4 O2 -","- C116 H112 N16 O8 -","4","1","","Wu, Jieyun; Liu, Jialei; Zhou, Tingting; Bo, Shuhui; Qiu, Ling; Zhen, Zhen; Liu, Xinhou","Enhanced electro-optic coefficient (r33) in nonlinear optical chromospheres with novel donor structure","RSC Adv.","2012","2","4","1416","","10.1039/C1RA00838B","","","0.71073","MoKα","","0.1116","0.0552","","","0.0942","0.109","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238468","14.942","0.002","18.073","0.003","17.298","0.003","90","","93.44","0.004","90","","4662.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Pd(PP3)2)Cl2.4CHCl3","[Pd(PP3)2]Cl2.4CHCl3","","- C88 H84 Cl14 P8 Pd -","- C88 H84 Cl14 P8 Pd -","- C176 H168 Cl28 P16 Pd2 -","2","0.5","","Fernández-Anca, Damián; García-Seijo, M. Inés; García-Fernández, M. Esther","Transition of trigonal-bipyramidal to square-planar geometries by oxidation of a coordinated tripodal polyphosphine in Pd(ii) and Pt(ii) complexes","RSC Adv.","2012","2","4","1404","","10.1039/C1RA00897H","","","0.71073","MoKα","","0.1769","0.0672","","","0.1506","0.1999","","","","","","0.908","","","","has coordinates","244186","2020-10-21","18:00:00",""
"7238469","11.808","0.006","13.975","0.007","15.675","0.007","105.495","0.007","98.909","0.007","102.948","0.007","2365","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Pd(P(PO)2)2)Cl2.2MeOH.6H2O","[Pd(P(PO)2)2]Cl2.2MeOH.6H2O","","- C86 H90 Cl2 O12 P8 Pd -","- C86 H90 Cl2 O12 P8 Pd -","- C86 H90 Cl2 O12 P8 Pd -","1","0.5","","Fernández-Anca, Damián; García-Seijo, M. Inés; García-Fernández, M. Esther","Transition of trigonal-bipyramidal to square-planar geometries by oxidation of a coordinated tripodal polyphosphine in Pd(ii) and Pt(ii) complexes","RSC Adv.","2012","2","4","1404","","10.1039/C1RA00897H","","","0.71073","MoKα","","0.0998","0.0685","","","0.2029","0.2402","","","","","","1.095","","","","has coordinates","244186","2020-10-21","18:00:00",""
"7238470","36.211","0.005","14.7523","0.0019","20.89","0.003","90","","106.565","0.003","90","","10696","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(Pd(PP2PO)Cl)(S(CH3)3(CH2)3(SO3)).4H2O","[Pd(PP2PO)Cl][S(CH3)3(CH2)3(SO3)].4H2O","","- C48 H57 Cl O8 P4 Pd S2 -","- C48 H57 Cl O8 P4 Pd S2 -","- C384 H456 Cl8 O64 P32 Pd8 S16 -","8","1","","Fernández-Anca, Damián; García-Seijo, M. Inés; García-Fernández, M. Esther","Transition of trigonal-bipyramidal to square-planar geometries by oxidation of a coordinated tripodal polyphosphine in Pd(ii) and Pt(ii) complexes","RSC Adv.","2012","2","4","1404","","10.1039/C1RA00897H","","","0.71073","MoKα","","0.1715","0.0645","","","0.1523","0.2015","","","","","","0.891","","","","has coordinates","244186","2020-10-21","18:00:00",""
"7238471","10.433","0.0003","14.2442","0.0003","18.2189","0.0005","80.194","0.002","84.401","0.003","87.677","0.002","2654.43","0.12","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C57 H55 Cl2 O4 P3 Ru S2 -","- C56.999 H54.998 Cl1.998 O4 P3 Ru S2 -","- C113.998 H109.996 Cl3.996 O8 P6 Ru2 S4 -","2","1","","Patel, Payel; Naeem, Saira; White, Andrew J. P.; Wilton-Ely, James D. E. T.","Synthesis and reactivity of dialkyldithiophosphate complexes of ruthenium(ii)","RSC Adv.","2012","2","3","999","","10.1039/C1RA00973G","","","1.54184","CuKα","","0.0421","0.0356","","","0.0883","0.0925","","","","","","1.049","","","","has coordinates,has disorder","244187","2020-10-21","18:00:00",""
"7238472","9.337","0.001","12.272","0.001","17.763","0.001","99.83","0.01","103.22","0.01","105.48","0.01","1850.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H40 F6 N2 O10 Ru2 S2 -","- C28 H40 F6 N2 O10 Ru2 S2 -","- C56 H80 F12 N4 O20 Ru4 S4 -","2","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71073","MoKα","","0.0864","0.0581","","","","0.1704","","","","","","1.11","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238473","16.0879","0.0006","10.0754","0.0004","17.8788","0.0006","90","","100.934","0.003","90","","2845.4","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 Cl N O2 Os -","- C13 H20 Cl N O2 Os -","- C104 H160 Cl8 N8 O16 Os8 -","8","2","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71073","MoKα","","0.0405","0.0281","","","","0.05","","","","","","0.866","","","","has coordinates","244188","2020-10-21","18:00:00",""
"7238474","9.902","0.003","10.38","0.001","21.015","0.001","90","","90","","90","","2160","0.7","293","2","293","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C23 H24 Cl N O2 Ru -","- C23 H24 Cl N O2 Ru -","- C92 H96 Cl4 N4 O8 Ru4 -","4","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71073","MoKα","","0.0946","0.0654","","","","0.1126","","","","","","1.123","","","","has coordinates","244188","2020-10-21","18:00:00",""
"7238475","17.902","0.001","14.938","0.001","19.641","0.001","90","","105.36","0.01","90","","5064.8","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 F6 N4 O10 Ru2 S2 -","- C46 H50 F6 N4 O10 Ru2 S2 -","- C184 H200 F24 N16 O40 Ru8 S8 -","4","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71073","MoKα","","0.1373","0.0982","","","","0.2391","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238476","17.482","0.005","17.482","0.005","19.478","0.005","90","0.005","90","0.005","90","0.005","5953","3","293","2","293","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C29 H29 F3 N2 O5 Ru S -","- C29 H29 F3 N2 O5 Ru S -","- C232 H232 F24 N16 O40 Ru8 S8 -","8","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71069","MoKα","","0.1008","0.0522","","","","0.1293","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238477","10.209","0.005","17.512","0.005","21.043","0.005","90","","90","","90","","3762","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H40 F6 N2 O8 Os2 S2 -","- C32 H40 F6 N2 O8 Os2 S2 -","- C128 H160 F24 N8 O32 Os8 S8 -","4","0.5","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71069","MoKα","","0.0788","0.0499","","","","0.222","","","","","","1.088","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238478","14.2845","0.0003","9.4565","0.0002","21.8716","0.0004","90","","105.511","0.002","90","","2846.84","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 F3 N3 O11 Os2 S -","- C20 H32 F3 N3 O11 Os2 S -","- C80 H128 F12 N12 O44 Os8 S4 -","4","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71073","MoKα","","0.0243","0.0184","","","","0.0417","","","","","","0.958","","","","has coordinates","244188","2020-10-21","18:00:00",""
"7238479","10.345","0.007","10.589","0.006","11.221","0.004","67.47","0.04","67.79","0.04","82.84","0.05","1050.8","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 Fe N2 -","- C26 H22 Fe N2 -","- C52 H44 Fe2 N4 -","2","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.0827","0.0568","","","0.1841","0.1949","","","","","","1.13","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238480","15.865","0.004","13.213","0.006","26.348","0.01","90","","90","","90","","5523","4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 Fe N2 O Pt S -","- C28 H28 Cl2 Fe N2 O Pt S -","- C224 H224 Cl16 Fe8 N16 O8 Pt8 S8 -","8","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.044","0.0414","","","0.1148","0.1174","","","","","","1.083","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238481","15.938","0.005","13.226","0.005","26.424","0.004","90","","90","","90","","5570","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 Fe N2 O Pd S -","- C28 H28 Cl2 Fe N2 O Pd S -","- C224 H224 Cl16 Fe8 N16 O8 Pd8 S8 -","8","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.0761","0.0675","","","0.2041","0.2097","","","","","","1.082","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238482","9.817","0.006","11.219","0.005","19.794","0.009","76.47","0.03","82.46","0.03","69.94","0.03","1987.9","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H38 Cl3 Fe N2 P Pd -","- C45 H38 Cl3 Fe N2 P Pd -","- C90 H76 Cl6 Fe2 N4 P2 Pd2 -","2","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.0502","0.0401","","","0.0995","0.1034","","","","","","1.078","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238483","10.625","0.006","12.789","0.005","14.469","0.006","93.58","0.02","105.39","0.02","107.09","0.02","1790.7","1.5","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Cl Fe N2 P Pd -","- C44 H36 Cl Fe N2 P Pd -","- C88 H72 Cl2 Fe2 N4 P2 Pd2 -","2","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.0763","0.0624","","","0.1884","0.1978","","","","","","1.089","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238550","8.2469","0.0002","11.3129","0.0002","10.3137","0.0002","90","","106.79","0.01","90","","921.21","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 I2 N2 S -","- C4 H5 I2 N2 S -","- C16 H20 I8 N8 S4 -","4","1","","Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.","Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine","RSC Advances","2012","2","7","2856","","10.1039/c2ra00013j","","","0.71073","MoKα","","0.0241","0.0201","","","0.0412","0.0421","","","","","","1.122","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238551","20.982","0.002","42.307","0.004","12.4442","0.001","90","","90","","90","","11046.5","1.7","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C96 H192 Cl6 I38 N48 S24 -","- C96 H192 Cl6 I38 N48 S24 -","- C192 H384 Cl12 I76 N96 S48 -","2","0.25","","Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.","Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine","RSC Advances","2012","2","7","2856","","10.1039/c2ra00013j","","","0.7107","MoKα","","0.0581","0.0437","","","0.0856","0.089","","","","","","1.109","","","","has coordinates","244228","2020-10-21","18:00:00",""
"7238552","14.502","0.002","12.31","0.002","12.354","0.002","90","","111.59","0.01","90","","2050.7","0.6","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Cl I9 N8 S4 -","- C16 H32 Cl I9 N8 S4 -","- C32 H64 Cl2 I18 N16 S8 -","2","0.5","","Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.","Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine","RSC Advances","2012","2","7","2856","","10.1039/c2ra00013j","","","0.71073","MoKα","","0.0971","0.0365","","","0.043","0.0452","","","","","","0.882","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238553","12.2118","0.0001","25.3633","0.0002","5.6918","0.0001","90","","90","","90","","1762.93","0.04","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H16 I3 N4 S2 -","- C8 H16 I3 N4 S2 -","- C32 H64 I12 N16 S8 -","4","1","","Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.","Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine","RSC Advances","2012","2","7","2856","","10.1039/c2ra00013j","","","0.71073","MoKα","","0.0636","0.0624","","","0.1751","0.1764","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238554","9.7301","0.0009","54.938","0.005","5.4824","0.0005","90","","92.879","0.006","90","","2926.9","0.5","104","2","104","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H29 N5 O -","- C39 H29 N5 O -","- C156 H116 N20 O4 -","4","1","","Bhaumik, Chanchal; Maity, Dinesh; Das, Shyamal; Baitalik, Sujoy","Synthesis, structural characterization, solvatochromism, and ion-binding studies of a ditopic receptor based on 2-(4-[2,2′: 6′,2′′]terpyridin-4′-yl-phenyl)-1H-phenanthro[9,10-d] imidazole (tpy-HImzphen) unit","RSC Advances","2012","2","6","2581","","10.1039/c2ra00023g","","","0.71073","MoKα","","0.0664","0.0428","","","0.0992","0.1115","","","","","","0.897","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238555","14.853","0.003","22.747","0.003","25.64","0.004","90","","90","","90","","8663","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H40 N10 -","- C52 H40 N10 -","- C416 H320 N80 -","8","1","","Takase, Masayoshi; Yoshida, Naofumi; Narita, Tomoyuki; Fujio, Takashi; Nishinaga, Tohru; Iyoda, Masahiko","Sterically congested pyrrole-fused tetrathiafulvalene decamers as highly conductive amorphous molecular materials","RSC Advances","2012","2","8","3221","","10.1039/c2ra00035k","","","0.71073","MoKα","","0.0686","0.0431","","","0.1172","0.143","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238556","21.5703","0.0008","5.9474","0.0002","10.9774","0.0004","90","","90","","90","","1408.26","0.09","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H14 Fe O -","- C19 H14 Fe O -","- C76 H56 Fe4 O4 -","4","1","","Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir","Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones","RSC Advances","2012","2","8","3512","","10.1039/c2ra00037g","","","0.71073","MoKα","","0.0179","0.0177","","","0.0414","0.0415","","","","","","1.047","","","","has coordinates","244231","2020-10-21","18:00:00",""
"7238557","8.9366","0.0009","9.5424","0.001","12.1196","0.0014","90","","90","","90","","1033.52","0.19","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Fe O -","- C13 H10 Fe O -","- C52 H40 Fe4 O4 -","4","1","","Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir","Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones","RSC Advances","2012","2","8","3512","","10.1039/c2ra00037g","","","0.71073","MoKα","","0.0208","0.0195","","","0.0456","0.046","","","","","","1.087","","","","has coordinates","244231","2020-10-21","18:00:00",""
"7238558","5.8159","0.0004","18.8274","0.0015","10.1737","0.0008","90","","92.45","0.002","90","","1112.98","0.15","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Fe O -","- C14 H12 Fe O -","- C56 H48 Fe4 O4 -","4","1","","Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir","Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones","RSC Advances","2012","2","8","3512","","10.1039/c2ra00037g","","","0.71073","MoKα","","0.0335","0.0268","","","0.0636","0.0671","","","","","","1.056","","","","has coordinates","244231","2020-10-21","18:00:00",""
"7238559","25.389","0.0009","10.1455","0.0004","5.8173","0.0002","90","","90","","90","","1498.44","0.09","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 Fe O Si -","- C16 H18 Fe O Si -","- C64 H72 Fe4 O4 Si4 -","4","1","","Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir","Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones","RSC Advances","2012","2","8","3512","","10.1039/c2ra00037g","","","0.71073","MoKα","","0.029","0.0253","","","0.0651","0.0768","","","","","","1.186","","","","has coordinates","244231","2020-10-21","18:00:00",""
"7238560","6.7304","0.0004","7.6804","0.0004","23.0785","0.0013","90","","92.209","0.004","90","","1192.09","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O Se -","- C13 H15 N O Se -","- C52 H60 N4 O4 Se4 -","4","1","","Sengoden, Mani; Punniyamurthy, Tharmalingam","Role of temperature in [3+2]-cycloaddition of isoselenocyanates with oxiranes using BF3·Et2O","RSC Advances","2012","2","7","2736","","10.1039/c2ra00042c","","","0.71073","MoKα","","0.0596","0.0515","","","0.111","0.1223","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238561","10.4808","0.0009","8.9744","0.0008","13.08","0.0012","90","","91.143","0.005","90","","1230.05","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Sengoden, Mani; Punniyamurthy, Tharmalingam","Role of temperature in [3+2]-cycloaddition of isoselenocyanates with oxiranes using BF3·Et2O","RSC Advances","2012","2","7","2736","","10.1039/c2ra00042c","","","0.71073","MoKα","","0.0654","0.0515","","","0.1412","0.1508","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238562","12.7577","0.0007","10.0993","0.0006","11.6512","0.0007","90","","94.4","0.003","90","","1496.76","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 I N O Se -","- C15 H12 I N O Se -","- C60 H48 I4 N4 O4 Se4 -","4","1","","Sengoden, Mani; Punniyamurthy, Tharmalingam","Role of temperature in [3+2]-cycloaddition of isoselenocyanates with oxiranes using BF3·Et2O","RSC Advances","2012","2","7","2736","","10.1039/c2ra00042c","","","0.71073","MoKα","","0.1363","0.0532","","","0.1609","0.246","","","","","","1.42","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238563","8.2269","0.0008","10.1265","0.0011","11.1995","0.0011","84.312","0.006","86.837","0.006","76.573","0.007","902.56","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C36 H36 N12 O8 -","4","2","","Guin, Srimanta; Rout, Saroj Kumar; Ghosh, Tuhin; Khatun, Nilufa; Patel, Bhisma K.","A one pot synthesis of [1,3,4]-oxadiazoles mediated by molecular iodine","RSC Advances","2012","2","8","3180","","10.1039/c2ra00044j","","","0.71073","MoKα","","0.1067","0.0782","","","0.2253","0.2489","","","","","","1.093","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238564","17.103","0.002","17.103","0.002","7.1526","0.0014","90","","90","","90","","2092.2","0.5","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H12 Cl2 Hg N12 O2 -","- C16 H12 Cl2 Hg N12 O2 -","- C64 H48 Cl8 Hg4 N48 O8 -","4","0.5","","Li, Yun-Wu; Tao, Ying; Wang, Li-Fu; Hu, Tong-Liang; Bu, Xian-He","New chiral coordination polymers constructed from well elaborated achiral and chiral ligands","RSC Advances","2012","2","10","4348","","10.1039/c2ra00046f","","","0.71073","MoKα","","0.0253","0.0225","","","0.0391","0.0396","","","","","","1.171","","","","has coordinates","244234","2020-10-21","18:00:00",""
"7238565","11.807","0.002","18.175","0.004","23.693","0.005","90","","90","","90","","5084.3","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 N30 O2 Zn3 -","- C42 H42 N30 O2 Zn3 -","- C168 H168 N120 O8 Zn12 -","4","1","","Li, Yun-Wu; Tao, Ying; Wang, Li-Fu; Hu, Tong-Liang; Bu, Xian-He","New chiral coordination polymers constructed from well elaborated achiral and chiral ligands","RSC Advances","2012","2","10","4348","","10.1039/c2ra00046f","","","0.71073","MoKα","","0.0916","0.0697","","","0.1445","0.153","","","","","","1.146","","","","has coordinates","244234","2020-10-21","18:00:00",""
"7238566","10.952","0.002","11.761","0.0001","17.935","0.004","90","","105.09","0.001","90","","2230.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","naphtho isoquinoline","6-(4-benzyl-piperazin-1-yl)-2-ethyl-1,2,3,4,7,8- hexahydro-naphtho[2,1-h]isoquinoline-5-carbonitrile","","- C26 H31 N3 -","- C26 H31 N3 -","- C104 H124 N12 -","4","1","","Pratap, Ramendra; Raghunandan, Resmi; Maulik, P. R.; Ji Ram, Vishnu","Naphtho[2,1-h]isoquinolines: a new class of partially reduced polycyclic aromatic nucleus","RSC Advances","2012","2","4","1299","","10.1039/c2ra00767c","","","0.71073","MoKα","","0.1659","0.07","","","0.1938","0.2516","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238567","8.0866","0.0003","12.1875","0.0006","13.9665","0.0007","83.079","0.004","80.504","0.004","74.566","0.004","1304.4","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","10-(4-phenyldiazenyl)-3-(3-phenyl)-1-methyl-3,5a,6,11b- tetrahydro-5H-benzopyrano[4',3'-4,5]pyrano[2,3-c]- pyrazole chloroform solvate","","- C27 H23 Cl3 N4 O2 -","- C27 H23 Cl3 N4 O2 -","- C54 H46 Cl6 N8 O4 -","2","1","","Parmar, Narsidas J.; Patel, Rikin A.; Teraiya, Shashikant B.; Sharma, Deepak; Gupta, Vivek K.","Catalyst-and solvent-free one-pot synthesis of some novel polyheterocycles from aryldiazenyl salicylaldehyde derivatives","RSC Advances","2012","2","7","3069","","10.1039/c2ra00930g","","","0.71073","MoKα","","0.088","0.0603","","","0.1572","0.1741","","","","","","1.006","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238568","8.516","0.0003","10.1858","0.0004","16.7736","0.0006","92.631","0.003","102.713","0.003","93.147","0.003","1414.66","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H17 B Cl F4 N5 O8 Ru -","- C25 H17 B Cl F4 N5 O8 Ru -","- C50 H34 B2 Cl2 F8 N10 O16 Ru2 -","2","1","","Chowdhury, Abhishek Dutta; De, Prinaka; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Influence of nitrosyl coordination on the binding mode of quinaldate in selective ruthenium frameworks. Electronic structure and reactivity aspects","RSC Advances","2012","2","8","3437","","10.1039/c2ra00953f","","","0.71073","MoKα","","0.0795","0.0698","","","0.2092","0.2136","","","","","","1.136","","","","has coordinates,has disorder","244237","2020-10-21","18:00:00",""
"7238569","8.4478","0.0002","8.9532","0.0002","17.6431","0.0004","94.079","0.002","91.367","0.002","98.405","0.002","1315.96","0.05","150","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H17 B2 F8 N5 O3 Ru -","- C25 H17 B2 F8 N5 O3 Ru -","- C50 H34 B4 F16 N10 O6 Ru2 -","2","1","","Chowdhury, Abhishek Dutta; De, Prinaka; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Influence of nitrosyl coordination on the binding mode of quinaldate in selective ruthenium frameworks. Electronic structure and reactivity aspects","RSC Advances","2012","2","8","3437","","10.1039/c2ra00953f","","","0.71073","MoKα","","0.0435","0.0396","","","0.1046","0.1067","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238570","5.9899","0.0007","7.4765","0.0009","9.347","0.001","93.62","0.01","101.1","0.01","91.12","0.01","409.73","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cl2 N2 O4 -","- C3 H10 Cl2 N2 O4 -","- C6 H20 Cl4 N4 O8 -","2","1","","Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann","Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids","RSC Advances","2012","2","9","3691","","10.1039/c2ra00968d","","","1.5418","CuKα","","0.0556","0.0529","","0.1536","0.1467","0.1536","","","","","","1.0083","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238571","11.674","0.002","17.503","0.003","6.616","0.001","90","","90.27","0.01","90","","1351.8","0.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 Cl2 N4 O4 S -","- C6 H20 Cl2 N4 O4 S -","- C24 H80 Cl8 N16 O16 S4 -","4","0.5","","Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann","Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids","RSC Advances","2012","2","9","3691","","10.1039/c2ra00968d","","","0.7107","MoKα","","0.0839","0.0736","","0.1703","0.1627","0.1703","","","","","","0.9852","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238572","8.8517","0.0006","8.872","0.0006","11.5295","0.0007","80.981","0.005","83.47","0.005","71.379","0.006","845.47","0.1","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H20 Cl2 N14 -","- C8 H20 Cl2 N14 -","- C16 H40 Cl4 N28 -","2","1","","Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann","Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids","RSC Advances","2012","2","9","3691","","10.1039/c2ra00968d","","","0.7107","MoKα","","0.0621","0.0541","","0.1588","0.1321","0.1588","","","","","","0.9694","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238573","24.168","0.004","7.3756","0.0008","17.062","0.003","90","","116.19","0.02","90","","2729.1","0.9","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Cl N5 O7 -","- C9 H12 Cl N5 O7 -","- C72 H96 Cl8 N40 O56 -","8","1","","Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann","Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids","RSC Advances","2012","2","9","3691","","10.1039/c2ra00968d","","","0.7107","MoKα","","0.0594","0.0519","","0.1094","0.0958","0.1094","","","","","","0.9959","","","","has coordinates","244238","2020-10-21","18:00:00",""
"7238574","6.6417","0.0005","11.5885","0.0008","15.0331","0.0009","84.647","0.005","80.07","0.006","86.803","0.006","1133.82","0.14","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Ba N6 O20 -","- C12 H16 Ba N6 O20 -","- C24 H32 Ba2 N12 O40 -","2","1","","Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann","Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids","RSC Advances","2012","2","9","3691","","10.1039/c2ra00968d","","","0.7107","MoKα","","0.0398","0.0358","","0.0773","0.0693","0.0773","","","","","","0.9995","","","","has coordinates","244238","2020-10-21","18:00:00",""
"7238575","7.3853","0.0005","9.6126","0.0007","10.888","0.0007","84.694","0.006","87.875","0.005","84.71","0.006","766.05","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.33 H7.33 Cl0.67 O2 S0 -","- C13.3333 H7.33333 Cl0.666667 O2 -","- C40 H22 Cl2 O6 -","3","1.5","","Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Singh, Maya Shankar","InCl3 catalyzed domino route to 2H-chromene-2-ones via [4 + 2] annulation of 2-hydroxyarylaldehydes with α-oxoketene dithioacetal under solvent-free conditions","RSC Advances","2012","2","6","2413","","10.1039/c2ra00987k","","","0.71073","MoKα","","0.1038","0.0541","","","0.1163","0.1453","","","","","","0.961","","","","has coordinates","244239","2020-10-21","18:00:00",""
"7238576","12.377","0.005","10.686","0.005","23.309","0.005","90","0.005","90","0.005","90","0.005","3083","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Fe O3 -","- C20 H14 Fe O3 -","- C160 H112 Fe8 O24 -","8","1","","Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Singh, Maya Shankar","InCl3 catalyzed domino route to 2H-chromene-2-ones via [4 + 2] annulation of 2-hydroxyarylaldehydes with α-oxoketene dithioacetal under solvent-free conditions","RSC Advances","2012","2","6","2413","","10.1039/c2ra00987k","","","0.71073","MoKα","","0.2486","0.0777","","","0.082","0.1242","","","","","","0.915","","","","has coordinates","244239","2020-10-21","18:00:00",""
"7238577","10.9631","0.0003","21.0687","0.0005","14.2884","0.0004","90","","94.404","0.001","90","","3290.57","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H44 O10 -","- C34 H44 O10 -","- C136 H176 O40 -","4","2","","Qin, Jiang-Jiang; Huang, Ying; Wang, Dan; Cheng, Xiang-Rong; Zeng, Qi; Zhang, Shou-De; Hu, Zhen-Lin; Jin, Hui-Zi; Zhang, Wei-Dong","Lineariifolianoids A–D, rare unsymmetrical sesquiterpenoid dimers comprised of xanthane and guaiane framework units from Inula lineariifolia","RSC Advances","2012","2","4","1307","","10.1039/c2ra01014c","","","1.54178","CuKα","","0.0436","0.0433","","","0.1285","0.1298","","","","","","1.044","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7238578","9.5025","0.0001","9.9525","0.0001","17.3337","0.0002","90","","104.11","","90","","1589.85","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H43 N O7 -","- C34 H43 N O7 -","- C68 H86 N2 O14 -","2","1","","Qin, Jiang-Jiang; Huang, Ying; Wang, Dan; Cheng, Xiang-Rong; Zeng, Qi; Zhang, Shou-De; Hu, Zhen-Lin; Jin, Hui-Zi; Zhang, Wei-Dong","Lineariifolianoids A–D, rare unsymmetrical sesquiterpenoid dimers comprised of xanthane and guaiane framework units from Inula lineariifolia","RSC Advances","2012","2","4","1307","","10.1039/c2ra01014c","","","1.54178","CuKα","","0.0315","0.0313","","","0.0948","0.0952","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238579","14.4478","0.0018","14.4478","0.0018","46.109","0.012","90","","90","","120","","8335","3","223","2","223","2","","","","","","","","5","P 61","P 61","169","compound2a","","","- C36 H58 Dy N23 O32 -","- C36 H58 Dy N23 O32 -","- C216 H348 Dy6 N138 O192 -","6","1","","Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin","Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution","RSC Advances","2012","2","8","3217","","10.1039/c2ra01132h","","","0.71073","MoKα","","0.051","0.0448","","","0.1191","0.1223","","","","","","1.005","","","","has coordinates","244241","2020-10-21","18:00:00",""
"7238580","14.473","0.002","22.512","0.003","16.595","0.003","90","","101.605","0.004","90","","5296.4","1.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound1","","","- C30 H52 Cl Dy N22 O27 -","- C30 H52 Cl Dy N22 O27 -","- C120 H208 Cl4 Dy4 N88 O108 -","4","1","","Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin","Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution","RSC Advances","2012","2","8","3217","","10.1039/c2ra01132h","","","0.71073","MoKα","","0.1183","0.0776","","","0.2123","0.2412","","","","","","1.06","","","","has coordinates","244241","2020-10-21","18:00:00",""
"7238581","14.531","0.001","14.531","0.001","46.07","0.007","90","","90","","120","","8424.4","1.5","223","2","223","2","","","","","","","","5","P 65","P 65","170","compound2b","","","- C36 H58 Dy N23 O32 -","- C36 H34 Dy N20 O23 -","- C216 H204 Dy6 N120 O138 -","6","1","","Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin","Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution","RSC Advances","2012","2","8","3217","","10.1039/c2ra01132h","","","0.71073","MoKα","","0.0583","0.0517","","","0.1298","0.1328","","","","","","1.069","","","","has coordinates","244241","2020-10-21","18:00:00",""
"7238582","7.6407","0.0003","9.6786","0.0004","10.6854","0.0004","65.63","0.002","89.433","0.002","89.894","0.002","719.75","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C40 H30 N2 O4 -","2","1","","Malińska, Maura; Nowacki, Jacek; Kapturkiewicz, Andrzej; Woźniak, Krzysztof","Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies","RSC Advances","2012","2","10","4318","","10.1039/c2ra01148d","","x-ray","0.71073","MoKα","","0.044","0.021","","","","0.046","0.032","","","","","1.149","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238583","8.8508","0.0001","7.665","0.0001","22.6191","0.0003","90","","91.734","0.001","90","","1533.81","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O S -","- C20 H15 N O S -","- C80 H60 N4 O4 S4 -","4","1","","Malińska, Maura; Nowacki, Jacek; Kapturkiewicz, Andrzej; Woźniak, Krzysztof","Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies","RSC Advances","2012","2","10","4318","","10.1039/c2ra01148d","","x-ray","0.71073","MoKα","","0.039","0.017","","","","0.03","","","","","","1.345","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238584","8.3769","0.0003","29.7404","0.0011","7.7536","0.0003","90","","117.13","0.002","90","","1719.14","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","1","","Malińska, Maura; Nowacki, Jacek; Kapturkiewicz, Andrzej; Woźniak, Krzysztof","Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies","RSC Advances","2012","2","10","4318","","10.1039/c2ra01148d","","x-ray","0.71073","MoKα","","0.054","0.026","","","","0.055","0.037","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238585","26.2228","0.0005","7.12522","0.00013","29.983","0.002","90","","111.349","0.008","90","","5217.7","0.5","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 N2 O5 -","- C27 H38 N2 O5 -","- C216 H304 N16 O40 -","8","1","","Kulikov, Oleg V.; Hamilton, Andrew D.","Synthesis of the novel trimeric benzamides—potential inhibitors of protein–protein interactions","RSC Advances","2012","2","6","2454","","10.1039/c2ra01153k","","","1.54187","CuKα","","","0.045","","","","0.1226","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238586","7.28347","0.00015","21.3595","0.0004","12.9832","0.0009","90","","94.065","0.007","90","","2014.73","0.15","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","Kulikov, Oleg V.; Hamilton, Andrew D.","Synthesis of the novel trimeric benzamides—potential inhibitors of protein–protein interactions","RSC Advances","2012","2","6","2454","","10.1039/c2ra01153k","","","1.54187","CuKα","","","0.0455","","","","0.1355","","","","","","1.116","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238587","37.5021","0.0011","15.4876","0.0004","42.453","0.0012","90","","114.594","0.001","90","","22420.5","1.1","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C202 H182 Cl8 Cu8 N50 O38 -","- C202 H182 Cl8 Cu8 N50 O38 -","- C808 H728 Cl32 Cu32 N200 O152 -","4","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","An octanuclear helical ‘molecular wheel’ from hierarchical assembly of four dinuclear Cu2 units in a mixed-ligand array","RSC Advances","2012","2","4","1326","","10.1039/c2ra01177h","","","0.71073","MoKα","","0.1656","0.1097","","","0.3292","0.3609","","","","","","1.187","","","","has coordinates,has disorder","244244","2020-10-21","18:00:00",""
"7238588","22.766","0.0006","22.766","0.0006","22.766","0.0006","90","","90","","90","","11799.4","0.5","200","","200","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- Cl3 Co H18 N6 O12 -","- Cl3 Co N6 O12 -","- Cl96 Co32 N192 O384 -","32","0.666667","","Górska, Natalia; Inaba, Akira; Hirao, Yasukazu; Mikuli, Edward; Hołderna-Natkaniec, Krystyna","Structure, molecular motion, and phase transition of a highly disordered crystal [Co(NH3)6](ClO4)3","RSC Advances","2012","2","10","4283","","10.1039/c2ra01184k","","","0.71075","MoKα","","0.0968","0.0957","","","0.2778","0.2785","","","","","","1.181","","","","has coordinates","244245","2020-10-21","18:00:00",""
"7238589","11.455","0.003","11.455","0.003","11.455","0.003","90","","90","","90","","1503.1","0.7","340","","340","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Cl3 Co H18 N6 O12 -","- Cl3 Co N6 O12.0004 -","- Cl12 Co4 N24 O48.0016 -","4","0.0208333","","Górska, Natalia; Inaba, Akira; Hirao, Yasukazu; Mikuli, Edward; Hołderna-Natkaniec, Krystyna","Structure, molecular motion, and phase transition of a highly disordered crystal [Co(NH3)6](ClO4)3","RSC Advances","2012","2","10","4283","","10.1039/c2ra01184k","","","0.71075","MoKα","","0.0669","0.0664","","","0.2086","0.2096","","","","","","1.287","","","","has coordinates","244245","2020-10-21","18:00:00",""
"7238590","5.474","0.003","12.149","0.007","21.524","0.011","82.9","0.03","86.9","0.03","89.09","0.03","1418.3","1.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H42 O8 -","- C28 H42 O8 -","- C56 H84 O16 -","2","1","","Ganesan, M.; Muraleedharan, K. M.","Oxanorbornane-based amphiphilic systems: design, synthesis and material properties","RSC Advances","2012","2","10","4048","","10.1039/c2ra01198k","","","0.71073","MoKα","","0.107","0.0704","","","0.1861","0.2338","","","","","","1.074","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238591","5.5386","0.0005","7.0291","0.0007","23.255","0.002","90","","93.015","0.005","90","","904.1","0.14","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O6 -","- C18 H32 O6 -","- C36 H64 O12 -","2","1","","Ganesan, M.; Muraleedharan, K. M.","Oxanorbornane-based amphiphilic systems: design, synthesis and material properties","RSC Advances","2012","2","10","4048","","10.1039/c2ra01198k","","","0.71073","MoKα","","0.1089","0.0496","","","0.099","0.1346","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238592","13.0082","0.0015","12.0689","0.0012","13.7934","0.0017","90","","107.583","0.001","90","","2064.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 N4 Ni4 O10 -","- C42 H52 N4 Ni4 O10 -","- C84 H104 N8 Ni8 O20 -","2","0.5","","Liu, Shizheng; Wang, Suna; Cao, Fan; Fu, Haiying; Li, Dacheng; Dou, Jianmin","Crystallization condition-controlled assembly of oxygen-bridged tetranuclear and hexanuclear Ni(ii) clusters: syntheses, structures and properties","RSC Adv.","2012","2","4","1310","","10.1039/C2RA01219G","","","0.71073","MoKα","","0.0849","0.0431","","","0.1028","0.1406","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238593","27.556","0.003","16.8879","0.0016","17.3304","0.0019","90","","90","","90","","8064.9","1.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C73 H93 N11 Ni6 O17 -","- C73 H93 N11 Ni6 O17 -","- C292 H372 N44 Ni24 O68 -","4","0.5","","Liu, Shizheng; Wang, Suna; Cao, Fan; Fu, Haiying; Li, Dacheng; Dou, Jianmin","Crystallization condition-controlled assembly of oxygen-bridged tetranuclear and hexanuclear Ni(ii) clusters: syntheses, structures and properties","RSC Adv.","2012","2","4","1310","","10.1039/C2RA01219G","","","0.71073","MoKα","","0.1612","0.0829","","","0.2091","0.2639","","","","","","1","","","","has coordinates","244247","2020-10-21","18:00:00",""
"7238594","28.215","0.006","16.504","0.003","14.405","0.003","90","","98.59","0.03","90","","6633","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Mg N6 -","- C24 H24 Mg N6 -","- C288 H288 Mg12 N72 -","12","1.5","","Lin, Miaoshui; Liu, Wei; Chen, Zhou; Yang, Lijuan; Pei, Hao; Wu, Jian; Wan, Xiaoyu; Lei, Tao; Li, Yahong","Magnesium complexes supported by pyrrolyl ligands: syntheses, characterizations, and catalytic activities towards the polymerization of ε-caprolactone","RSC Advances","2012","2","8","3451","","10.1039/c2ra01235a","","","0.71073","MoKα","","0.1359","0.0927","","","0.1372","0.1537","","","","","","1.181","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238595","9.986","0.002","14.269","0.003","19.278","0.004","90","","92.42","0.03","90","","2744.5","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Mg N4 O2 -","- C30 H34 Mg N4 O2 -","- C120 H136 Mg4 N16 O8 -","4","1","","Lin, Miaoshui; Liu, Wei; Chen, Zhou; Yang, Lijuan; Pei, Hao; Wu, Jian; Wan, Xiaoyu; Lei, Tao; Li, Yahong","Magnesium complexes supported by pyrrolyl ligands: syntheses, characterizations, and catalytic activities towards the polymerization of ε-caprolactone","RSC Advances","2012","2","8","3451","","10.1039/c2ra01235a","","","0.71073","MoKα","","0.1504","0.098","","","0.2011","0.2289","","","","","","1.157","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238596","10.453","0.002","11.456","0.002","12.516","0.003","84.02","0.03","76.88","0.03","89.43","0.03","1451.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Mg N4 O2 -","- C32 H38 Mg N4 O2 -","- C64 H76 Mg2 N8 O4 -","2","1","","Lin, Miaoshui; Liu, Wei; Chen, Zhou; Yang, Lijuan; Pei, Hao; Wu, Jian; Wan, Xiaoyu; Lei, Tao; Li, Yahong","Magnesium complexes supported by pyrrolyl ligands: syntheses, characterizations, and catalytic activities towards the polymerization of ε-caprolactone","RSC Advances","2012","2","8","3451","","10.1039/c2ra01235a","","","0.71073","MoKα","","0.0685","0.0556","","","0.1497","0.1597","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238597","12.388","0.002","12.645","0.0001","10.535","0.002","90","","112.9","0.02","90","","1520.2","0.4","","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Prop-2-ynylidene-6,7-dihydro-5H-1,4 -dioxa- benzo(g)cyclopenta(a)phenanthrene","5-Prop-2-ynylidene-6,7-dihydro-5H-1,4 -dioxa-benzo[g]cyclopenta[a]phenanthrene","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C84 H52 N4 O8 -","4","1","","Pratap, Ramendra; Raghunandan, Resmi; Kumar, Abhinav; Ram, Vishnu Ji","Bicyclic ketone mediated synthesis of oxygenated aromatic systems","RSC Advances","2012","2","7","2688","","10.1039/c2ra01253g","","","","","","0.2678","0.1374","","","0.3997","0.5108","","","","","","","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238598","11.712","0.005","12.67","0.005","20.965","0.005","90","","98.49","0.01","90","","3076.9","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Mn N4 O6 S4 -","- C27 H29 Mn N4 O6 S4 -","- C108 H116 Mn4 N16 O24 S16 -","4","1","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71069","MoKα","","0.1079","0.0535","","","0.1308","0.1543","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238599","10.429","0.002","11.778","0.002","17.263","0.003","105.39","0.05","91.37","0.05","90.35","0.05","2043.7","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H35 Cl2 Mn N6 O6 S6 -","- C34 H35 Cl2 Mn N6 O6 S6 -","- C68 H70 Cl4 Mn2 N12 O12 S12 -","2","1","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71069","MoKα","","0.1139","0.0847","","","0.1906","0.2064","","","","","","1.068","","","","has coordinates,has disorder","244251","2020-10-21","18:00:00",""
"7238600","11.227","0.003","13.922","0.007","15.914","0.006","69.021","0.002","89.488","0.002","77.92","0.002","2265.1","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H35 Cl6 Fe N6 O6 S6 -","- C35 H35 Cl6 Fe N6 O6 S6 -","- C70 H70 Cl12 Fe2 N12 O12 S12 -","2","1","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71073","MoKα","","0.0817","0.0545","","","0.1156","0.1336","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238601","10.394","0.004","9.405","0.004","17.332","0.003","90","","114.676","0.019","90","","1539.6","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl2 Fe N4 O6 S4 -","- C24 H32 Cl2 Fe N4 O6 S4 -","- C48 H64 Cl4 Fe2 N8 O12 S8 -","2","0.5","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71073","MoKα","","0.0504","0.0395","","","0.1004","0.107","","","","","","1.07","","","","has coordinates","244251","2020-10-21","18:00:00",""
"7238602","23.038","0.002","10.461","0.006","22.989","0.006","90","","90","","90","","5540","4","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C46.5 H51.5 Fe2 N8 O10.5 S8 -","- C46.5 H51.5 Fe2 N8 O10.5 S8 -","- C186 H206 Fe8 N32 O42 S32 -","4","0.5","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71073","MoKα","","0.0736","0.0451","","","0.1106","0.125","","","","","","1.007","","","","has coordinates","244251","2020-10-21","18:00:00",""
"7238603","12.807","0.0002","32.336","0.0008","15.201","0.0003","90","","105.175","0.0011","90","","6075.6","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H50 Cl6 Fe2 N8 O9 S8 -","- C47 H50 Cl6 Fe2 N8 O9 S8 -","- C188 H200 Cl24 Fe8 N32 O36 S32 -","4","1","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71073","MoKα","","0.1034","0.0576","","","0.1645","0.2001","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238604","12.4598","0.0013","20.593","0.002","27.475","0.003","90","","81.456","0.007","90","","6971.4","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H61 K2 N4 O30 Zn4 -","- C51 H61 K2 N4 O30 Zn4 -","- C204 H244 K8 N16 O120 Zn16 -","4","1","","Patra, Ayan; Sen, Tamal K.; Bhattacharyya, Rangeet; Mandal, Swadhin K.; Bera, Manindranath","Diversity of carboxylate binding in a new tetranuclear zinc cluster: correlation between spectroscopic investigations and carboxylate binding modes","RSC Advances","2012","2","5","1774","","10.1039/c2ra01317g","","","0.71073","MoKα","","0.1584","0.0966","","","0.2582","0.3016","","","","","","1.04","","","","has coordinates","244252","2020-10-21","18:00:00",""
"7238605","9.4235","0.0011","10.3957","0.0012","15.9888","0.0018","90","","90","","90","","1566.3","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O5 -","- C17 H15 N3 O5 -","- C68 H60 N12 O20 -","4","1","","Dorofeeva, Evgeniya O.; Elinson, Michail N.; Vereshchagin, Anatoly N.; Stepanov, Nikita O.; Bushmarinov, Ivan S.; Belyakov, Pavel A.; Sokolova, Olga O.; Nikishin, Gennady I.","Electrocatalysis in MIRC reaction strategy: facile stereoselective approach to medicinally relevant spirocyclopropylbarbiturates from barbituric acids and activated olefins","RSC Advances","2012","2","10","4444","","10.1039/c2ra20078c","","x-ray","0.71073","MoKα","K-L~3~","0.0355","0.0319","","","0.0823","0.0852","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238606","13.7895","0.0014","16.0801","0.0016","9.8741","0.001","90","","101.502","0.002","90","","2145.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 O3 -","- C30 H22 O3 -","- C120 H88 O12 -","4","1","","Zhang, Hao; Cui, Wei-Chen; Hu, Zhi-Long; Yu, Shu-Yan; Wang, Shaozhong; Yao, Zhu-Jun","Brønsted acid-promoted dimerization of o-alkynylbenzaldehydes: a one-step synthesis of functionalized Kagan's ether analogues","RSC Advances","2012","2","12","5101","","10.1039/c2ra20095c","","","0.71073","MoKα","","0.0889","0.0514","","","0.1072","0.1194","","","","","","0.876","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238607","10.2779","0.0002","13.7689","0.0002","22.0341","0.0003","99.315","0.001","103.302","0.001","100.393","0.001","2916.58","0.08","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H57 Cl N5 O3 P3 Pd Ru -","- C67 H57 Cl N5 O3 P3 Pd Ru -","- C134 H114 Cl2 N10 O6 P6 Pd2 Ru2 -","2","1","","Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh","Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions","RSC Advances","2012","2","12","5254","","10.1039/c2ra20105d","","","0.71073","MoKα","","0.0661","0.0415","","","0.118","0.1404","","","","","","0.877","","","","has coordinates","244255","2020-10-21","18:00:00",""
"7238608","19.145","0.004","26.722","0.006","26.88","0.006","66.307","0.006","89.242","0.007","87.514","0.007","12581","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H53 Cl N3 O3 P3 Pd Ru -","- C67 H53 Cl N3 O3 P3 Pd Ru -","- C536 H424 Cl8 N24 O24 P24 Pd8 Ru8 -","8","4","","Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh","Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions","RSC Advances","2012","2","12","5254","","10.1039/c2ra20105d","","","0.71073","MoKα","","0.0985","0.0599","","","0.1339","0.1497","","","","","","1.028","","","","has coordinates","244255","2020-10-21","18:00:00",""
"7238609","9.1","0.0018","16.7","0.003","18.4","0.004","90","","100.39","0.03","90","","2750.4","1","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N3 O3 P Pd -","- C30 H24 N3 O3 P Pd -","- C120 H96 N12 O12 P4 Pd4 -","4","1","","Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh","Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions","RSC Advances","2012","2","12","5254","","10.1039/c2ra20105d","","","0.71073","MoKα","","0.0869","0.0731","","","0.2106","0.2253","","","","","","1.075","","","","has coordinates","244255","2020-10-21","18:00:00",""
"7238610","10.1264","0.0009","14.1165","0.0012","16.8322","0.0012","80.414","0.007","84.706","0.007","78.503","0.007","2320.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 N3 O2 P Pd -","- C27 H24 N3 O2 P Pd -","- C108 H96 N12 O8 P4 Pd4 -","4","2","","Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh","Mononuclear palladium and heterodinuclear palladium–ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C–C cross-coupling reactions","RSC Advances","2012","2","12","5254","","10.1039/c2ra20105d","","","0.71073","MoKα","","0.0923","0.0436","","","0.0862","0.0976","","","","","","0.931","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238611","8.3389","0.0004","14.6212","0.0007","12.1621","0.0006","90","","104.483","0.001","90","","1435.74","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H40 Cl2 N2 O16 -","- C21 H40 Cl2 N2 O16 -","- C42 H80 Cl4 N4 O32 -","2","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium–crown ether based host–guest systems: N–H⋯O hydrogen bond directed guest inclusion featuring N–H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0512","0.05","","","0.1279","0.1291","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238612","17.7353","0.0014","15.4444","0.0012","19.7642","0.0016","90","","112.756","0.001","90","","4992.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Cl4 N4 O28 -","- C38 H55 Cl4 N4 O27.602 -","- C152 H220 Cl16 N16 O110.408 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0732","0.0647","","","0.1502","0.1559","","","","","","1.074","","","","has coordinates","244256","2020-10-21","18:00:00",""
"7238613","11.9802","0.0008","12.7041","0.0009","34.277","0.002","85.19","0.001","89.215","0.001","89.297","0.001","5197.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H118 Cl6 N6 O50 -","- C81 H107 Cl6 N6 O50 -","- C162 H214 Cl12 N12 O100 -","2","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0799","0.0659","","","0.1578","0.1668","","","","","","1.029","","","","has coordinates","244256","2020-10-21","18:00:00",""
"7238614","12.2134","0.0007","13.2564","0.0008","17.0677","0.001","75.025","0.001","71.73","0.001","72.189","0.001","2457.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 Cl2 N4 O21 -","- C40 H68 Cl2 N4 O21 -","- C80 H136 Cl4 N8 O42 -","2","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium–crown ether based host–guest systems: N–H⋯O hydrogen bond directed guest inclusion featuring N–H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0551","0.0447","","","0.1118","0.1187","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238615","17.19","0.003","16.795","0.002","18.068","0.003","90","","92.64","0.002","90","","5210.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 Cl4 N4 O25 -","- C42 H64 Cl4 N4 O25 -","- C168 H256 Cl16 N16 O100 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0863","0.0828","","","0.1978","0.2006","","","","","","1.106","","","","has coordinates","244256","2020-10-21","18:00:00",""
"7238616","8.8552","0.0006","14.235","0.0009","16.8384","0.0011","110.236","0.001","95.478","0.001","90.002","0.001","1981.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H56 Cl2 N2 O18 -","- C33 H56 Cl2 N2 O18 -","- C66 H112 Cl4 N4 O36 -","2","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium–crown ether based host–guest systems: N–H⋯O hydrogen bond directed guest inclusion featuring N–H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0743","0.0638","","","0.149","0.1567","","","","","","1.02","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238617","16.1814","0.0009","21.722","0.0012","29.3019","0.0017","90","","103.233","0.001","90","","10025.9","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H143 Cl4 N5 O46 -","- C76 H131 Cl4 N5 O46 -","- C304 H524 Cl16 N20 O184 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0919","0.0759","","","0.1842","0.1931","","","","","","1.115","","","","has coordinates","244256","2020-10-21","18:00:00",""
"7238618","7.8235","0.0002","9.9093","0.0002","12.8402","0.0003","67.621","0.001","89.76","0.001","80.47","0.001","905.88","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Dy N O13 P -","- C13 H16 Dy N O13 P -","- C26 H32 Dy2 N2 O26 P2 -","2","1","","Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min","Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties","RSC Advances","2012","2","16","6680","","10.1039/c2ra20111a","","","0.71073","MoKα","","0.0338","0.0269","","","0.058","0.0597","","","","","","1.031","","","","has coordinates","244257","2020-10-21","18:00:00",""
"7238619","7.864","0.003","9.964","0.003","12.842","0.004","67.521","0.005","89.856","0.006","80.711","0.006","915.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Eu N O13 P -","- C13 H16 Eu N O13 P -","- C26 H32 Eu2 N2 O26 P2 -","2","1","","Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min","Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties","RSC Advances","2012","2","16","6680","","10.1039/c2ra20111a","","","0.71073","MoKα","","0.0357","0.0317","","","0.0781","0.0793","","","","","","1.074","","","","has coordinates","244257","2020-10-21","18:00:00",""
"7238620","7.8439","0.0012","9.9333","0.0015","12.839","0.002","67.578","0.003","89.872","0.003","80.597","0.002","910.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Gd N O13 P -","- C13 H16 Gd N O13 P -","- C26 H32 Gd2 N2 O26 P2 -","2","1","","Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min","Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties","RSC Advances","2012","2","16","6680","","10.1039/c2ra20111a","","","0.71073","MoKα","","0.034","0.0288","","","0.045","0.0454","","","","","","1.002","","","","has coordinates","244257","2020-10-21","18:00:00",""
"7238621","7.8354","0.0013","9.91","0.0017","12.852","0.002","67.78","0.003","89.721","0.003","80.236","0.003","908.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 N O13 P Tb -","- C13 H16 N O13 P Tb -","- C26 H32 N2 O26 P2 Tb2 -","2","1","","Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min","Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties","RSC Advances","2012","2","16","6680","","10.1039/c2ra20111a","","","0.71073","MoKα","","0.0336","0.0287","","","0.0506","0.0511","","","","","","1.057","","","","has coordinates","244257","2020-10-21","18:00:00",""
"7238622","8.486","0.003","15.397","0.005","14.367","0.004","90","","111.573","0.015","90","","1745.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl2 N -","- C22 H15 Cl2 N -","- C88 H60 Cl8 N4 -","4","1","","Yao, Changsheng; Qin, Bingbin; Zhang, Honghong; Lu, Jun; Wang, Donglin; Tu, Shujiang","One-pot solvent-free synthesis of quinolines by C–H activation/C–C Bond formation catalyzed by recyclable iron(iii) triflate","RSC Advances","2012","2","9","3759","","10.1039/c2ra20172k","","","0.71073","MoKα","","0.0686","0.0461","","","0.1347","0.161","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238623","13.74","0.002","7.0021","0.0012","15.55","0.003","90","","95.82","0.004","90","","1488.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Yao, Changsheng; Qin, Bingbin; Zhang, Honghong; Lu, Jun; Wang, Donglin; Tu, Shujiang","One-pot solvent-free synthesis of quinolines by C–H activation/C–C Bond formation catalyzed by recyclable iron(iii) triflate","RSC Advances","2012","2","9","3759","","10.1039/c2ra20172k","","","0.71073","MoKα","","0.0592","0.0409","","","0.1155","0.1271","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238624","5.637","0.0004","10.2308","0.0007","24.765","0.002","90","","90","","90","","1428.22","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","","Sedash, Yuriy V.; Gorobets, Nikolay Yu.; Chebanov, Valentin A.; Konovalova, Irina S.; Shishkin, Oleg V.; Desenko, Sergey M.","Dotting the i's in three-component Biginelli-like condensations using 3-amino-1,2,4-triazole as a 1,3-binucleophile","RSC Advances","2012","2","17","6719","","10.1039/c2ra20195j","","","0.71073","MoKα","","0.0617","0.0443","","","0.0909","0.0957","","","","","","1.156","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238625","25.104","0.0004","25.104","0.0004","30","0.003","90","","90","","120","","16373.4","1.7","213","2","213","2","","","","","","","synthesis as described","4","R -3 c :H","-R 3 2""c","167","","","","- C13.83 H22.67 N O3 -","- C13.81 H22.64 N O3 -","- C497.16 H815.04 N36 O108 -","36","1","","Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Rizzato, Egon; Zaman, Md. Badruz; Chan, Gordon; Ouari, Olivier; Tordo, Paul","Perturbation induced formation of a 3D-network of microcrystals producing soft materials","RSC Advances","2012","2","13","5605","","10.1039/c2ra20208e","","x-ray","0.71073","MoKα","","0.1084","0.081","","","0.2304","0.2575","","","","","","1.055","","","","has coordinates","244260","2020-10-21","18:00:00",""
"7238626","23.9436","0.0007","5.6253","0.0002","52.4024","0.0016","90","","97.817","0.002","90","","6992.5","0.4","283","2","283","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 S3 -","- C24 H32 S3 -","- C288 H384 S36 -","12","3","","Wedl, Bernhard; Resel, Roland; Leising, Günther; Kunert, Birgit; Salzmann, Ingo; Oehzelt, Martin; Koch, Norbert; Vollmer, Antje; Duhm, Steffen; Werzer, Oliver; Gbabode, Gabin; Sferrazza, Michele; Geerts, Yves","Crystallisation kinetics in thin films of dihexyl-terthiophene: the appearance of polymorphic phases","RSC Advances","2012","2","10","4404","","10.1039/c2ra20272g","","","0.71073","MoKα","","0.1528","0.06","","","0.1342","0.1821","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238627","8.8353","0.0018","10.145","0.002","11.616","0.004","106.121","0.018","109.391","0.019","101.989","0.013","890.3","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C40 H48 N4 -","2","1","","Kumar, Rapolu Kiran; Punniyamurthy, Tharmalingam","Palladium-catalyzed aerobic oxidative C–H amination: synthesis of 2-unsubstituted and 2-substituted N-aryl benzimidazoles","RSC Advances","2012","2","11","4616","","10.1039/c2ra20328f","","","0.71073","MoKα","","0.0767","0.0576","","","0.1729","0.1902","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238628","8.2036","0.0006","10.3079","0.0008","10.9919","0.0009","76.796","0.005","78.813","0.005","70.229","0.005","844.64","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C40 H30 N6 O4 -","2","1","","Kumar, Rapolu Kiran; Punniyamurthy, Tharmalingam","Palladium-catalyzed aerobic oxidative C–H amination: synthesis of 2-unsubstituted and 2-substituted N-aryl benzimidazoles","RSC Advances","2012","2","11","4616","","10.1039/c2ra20328f","","","0.71073","MoKα","","0.0873","0.0502","","","0.1387","0.1784","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238629","11.718","0.003","5.5721","0.0013","20.637","0.005","90","","104.252","0.002","90","","1306","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Zhan, Chunjing; Jia, Jiong; Yang, Bingchuan; Huang, Aiping; Liu, Yanli; Ma, Chen","A tandem coupling/smiles rearrangement/cyclization approach to 1,4-benzooxazinones or 1,4-pyridooxazinones under mild conditions","RSC Advances","2012","2","19","7506","","10.1039/c2ra20334k","","","0.71073","MoKα","","0.056","0.0437","","","0.1255","0.1362","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238630","16.86","0.005","11.836","0.005","23.186","0.005","90","0.005","109.358","0.005","90","0.005","4365","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 As2 Cl N2 O2 Ru S -","- C49 H39 As2 Cl N2 O2 Ru S -","- C196 H156 As8 Cl4 N8 O8 Ru4 S4 -","4","1","","Prabhu, Rupesh Narayana; Ramesh, Rengan","Ruthenium(ii) carbonyl complexes containing benzhydrazone ligands: synthesis, structure and facile one-pot conversion of aldehydes to amides","RSC Advances","2012","2","10","4515","","10.1039/c2ra20382k","","","0.71073","MoKα","","0.0659","0.0346","","","0.0649","0.0866","","","","","","1.084","","","","has coordinates","244264","2020-10-21","18:00:00",""
"7238631","41.1816","0.001","11.3351","0.0003","40.5037","0.0011","90","","108.586","0.003","90","","17921","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H41 As2 Cl N2 O2 Ru S -","- C50 H41 As2 Cl N2 O2 Ru S -","- C800 H656 As32 Cl16 N32 O32 Ru16 S16 -","16","2","","Prabhu, Rupesh Narayana; Ramesh, Rengan","Ruthenium(ii) carbonyl complexes containing benzhydrazone ligands: synthesis, structure and facile one-pot conversion of aldehydes to amides","RSC Advances","2012","2","10","4515","","10.1039/c2ra20382k","","","0.71073","MoKα","","0.0837","0.0436","","","0.095","0.1159","","","","","","1.077","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7238632","15.6484","0.0001","15.6484","0.0001","36.3862","0.0005","90","","90","","90","","8909.98","0.15","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C64 H52 Cd4 N2 O26 Si2 -","- C64 H52 Cd4 N2 O26 Si2 -","- C256 H208 Cd16 N8 O104 Si8 -","4","1","","Zhao, Xiaoliang; Zhang, Liangliang; Ma, Huiqing; Sun, Di; Wang, Dengxu; Feng, Shengyu; Sun, Daofeng","Solvent-controlled Cd(ii) metal‒organic frameworks constructed from a tetrapodal silicon-based linker","RSC Advances","2012","2","13","5543","","10.1039/c2ra20384g","","","0.71073","MoKα","","0.0523","0.0435","","","0.1042","0.1082","","","","","","0.987","","","","has coordinates","244265","2020-10-21","18:00:00",""
"7238633","12.9879","0.0015","12.9879","0.0015","25.025","0.006","90","","90","","90","","4221.4","1.2","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C34 H30 Cd2 N2 O10 Si -","- C34 H30 Cd2 N2 O10 Si -","- C136 H120 Cd8 N8 O40 Si4 -","4","0.25","","Zhao, Xiaoliang; Zhang, Liangliang; Ma, Huiqing; Sun, Di; Wang, Dengxu; Feng, Shengyu; Sun, Daofeng","Solvent-controlled Cd(ii) metal‒organic frameworks constructed from a tetrapodal silicon-based linker","RSC Advances","2012","2","13","5543","","10.1039/c2ra20384g","","","0.71073","MoKα","","0.046","0.0413","","","0.119","0.1221","","","","","","1.103","","","","has coordinates","244265","2020-10-21","18:00:00",""
"7238634","10.7911","0.0019","8.3666","0.0015","6.8985","0.0012","90","","93.084","0.003","90","","621.93","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","0.5","","Xuan, Jun; Feng, Zhu-Jia; Duan, Shu-Wen; Xiao, Wen-Jing","Room temperature synthesis of isoquino[2,1-a][3,1]oxazine and isoquino[2,1-a]pyrimidine derivatives via visible light photoredox catalysis","RSC Advances","2012","2","10","4065","","10.1039/c2ra20403g","","","0.71073","MoKα","","0.0637","0.0595","","","0.1796","0.1854","","","","","","1.09","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238635","25.383","0.008","21.318","0.007","15.956","0.005","90","","123.863","0.004","90","","7169","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Br2 N2 O4 -","- C16 H14 Br2 N2 O4 -","- C256 H224 Br32 N32 O64 -","16","2","","Ji, Xiaoyun; Duan, Zhiqiang; Qian, Yu; Han, Jianlin; Li, Guigen; Pan, Yi","Highly regioselective aminobromination of α,β-unsaturated nitro compounds with benzyl carbamate/N-bromosuccinimide as nitrogen/bromine source","RSC Advances","2012","2","13","5565","","10.1039/c2ra20490h","","","0.71073","MoKα","","0.1109","0.0489","","","0.1084","0.1187","","","","","","0.998","","","","has coordinates","244267","2020-10-21","18:00:00",""
"7238636","8.2005","0.0008","9.5269","0.0016","11.4959","0.0015","65.961","0.014","85.022","0.009","66.268","0.012","747.7","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","10-Hydroxy-10-(2-oxopentyl)phenanthren-9(10H)-one","10-Hydroxy-10-(2-oxopentyl)phenanthren-9(10H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.0785","0.0367","","","0.0935","0.1102","","","","","","0.601","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238637","13.049","0.003","5.359","0.0014","21.62","0.005","90","","94.35","0.02","90","","1507.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(Z)-10,11,12,13-Tetrahydrocycloocta(d)phenanthro(9,10-b)furan","(Z)-10,11,12,13-Tetrahydrocycloocta[d]phenanthro[9,10-b]furan","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.2916","0.0866","","","0.0849","0.1183","","","","","","0.865","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238638","11.6236","0.0006","10.7231","0.0007","14.8535","0.001","90","","101.277","0.005","90","","1815.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9aSR,12aSR)-11,12-Dihydro-10H-spiro(9a,12a epoxymethanooxy)cyclopenta(b)phenanthro(9,10-d)furan-14,1'-cyclopentane)","9aSR,12aSR)-11,12-Dihydro-10H-spiro[9a,12a epoxymethanooxy)cyclopenta[b]phenanthro[9,10-d]furan-14,1'-cyclopentane]","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.1234","0.0733","","","0.1934","0.2153","","","","","","1.308","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238639","17.7499","0.0006","17.7499","0.0006","24.507","0.0008","90","","90","","120","","6686.7","0.4","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","10,11,12,13-Tetrahydrophenanthro(9,10-b)benzofuran-13-ol","10,11,12,13-Tetrahydrophenanthro[9,10-b]benzofuran-13-ol","","- C20 H16 O2 -","- C20 H16 O2 -","- C360 H288 O36 -","18","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.0529","0.0385","","","0.1177","0.1257","","","","","","0.923","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238640","8.1778","0.0002","8.9545","0.0003","21.7298","0.0006","90","","90","","90","","1591.23","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9a,11,11-Trimethyl-9a,12a-dihydrophenanthro(9',10':4,5) furo(2,3-d)(1,3)dioxole","9a,11,11-Trimethyl-9a,12a-dihydrophenanthro[9',10':4,5] furo[2,3-d][1,3]dioxole","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.045","0.0341","","","0.0997","0.1092","","","","","","0.806","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238641","17.826","0.005","12.506","0.003","12.588","0.003","90","","90","","90","","2806.3","1.2","293","2","293","2","","","","","","","","4","P b a n :2","-P 2ab 2b","50","","","","- C25 H28 Br4 N4 -","- C25 H28 Br4 N4 -","- C100 H112 Br16 N16 -","4","0.5","","Selvakumar, P. M.; Jebaraj, P. Yowan; Sahoo, Jashobanta; Suresh, E.; Prathap, K. Jeya; Kureshy, R. I.; Subramanian, P. S.","The first bromide ion directed double helicate and its role in catalysis","RSC Advances","2012","2","20","7689","","10.1039/c2ra20507f","","","0.71073","MoKα","","0.1048","0.0614","","","0.174","0.1936","","","","","","1.049","","","","has coordinates","244269","2020-10-21","18:00:00",""
"7238642","12.9999","0.0009","11.9658","0.001","16.7478","0.0012","90","","92.12","0.004","90","","2603.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl3 N3 -","- C26 H26 Cl3 N3 -","- C104 H104 Cl12 N12 -","4","1","","Khan, Abu T.; R, Sidick Basha; Lal, Mohan; Mir, Mohammad Hedayetullah","Formation of unexpected α-amino amidine through three-component ‘UGI condensation reaction’","RSC Advances","2012","2","13","5506","","10.1039/c2ra20539d","","","0.71073","MoKα","","0.1786","0.0875","","","0.2237","0.2754","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238643","13.3588","0.001","10.7992","0.0008","16.6412","0.0012","90","","90","","90","","2400.7","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H24 Br Cl2 N3 -","- C24 H24 Br Cl2 N3 -","- C96 H96 Br4 Cl8 N12 -","4","1","","Khan, Abu T.; R, Sidick Basha; Lal, Mohan; Mir, Mohammad Hedayetullah","Formation of unexpected α-amino amidine through three-component ‘UGI condensation reaction’","RSC Advances","2012","2","13","5506","","10.1039/c2ra20539d","","","0.71073","MoKα","","0.0668","0.0323","","","0.0665","0.077","","","","","","0.993","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238644","11.6045","0.0007","11.6974","0.0007","15.6896","0.001","90","","102.044","0.003","90","","2082.9","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N3 -","- C24 H27 N3 -","- C96 H108 N12 -","4","1","","Khan, Abu T.; R, Sidick Basha; Lal, Mohan; Mir, Mohammad Hedayetullah","Formation of unexpected α-amino amidine through three-component ‘UGI condensation reaction’","RSC Advances","2012","2","13","5506","","10.1039/c2ra20539d","","","0.71073","MoKα","","0.0764","0.0537","","","0.1423","0.1612","","","","","","0.973","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238645","12.7739","0.0004","15.246","0.0005","19.3151","0.0006","82.978","0.001","84.402","0.001","71.136","0.001","3526.1","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H188 Ca4 N48 O78 -","- C100 H120 Ca4 N48 O78 -","- C100 H120 Ca4 N48 O78 -","1","0.5","","Hu, Ying-Feng; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Zhu, Jing; Liu, Jing-Xin; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Ionic radius-dependent self-assembly of closed/opened molecular capsules based on pentacyclopentanocucurbit[5]uril","RSC Advances","2012","2","13","5663","","10.1039/c2ra20569f","","","0.71073","MoKα","","0.0756","0.0571","","","0.1553","0.1724","","","","","","1.025","","","","has coordinates","244271","2020-10-21","18:00:00",""
"7238646","11.3443","0.0007","15.8451","0.001","18.6881","0.0012","90.005","0.002","97.736","0.002","103.096","0.002","3240.4","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H82 N24 O32 Sr2 -","- C50 H60 N24 O32 Sr2 -","- C100 H120 N48 O64 Sr4 -","2","1","","Hu, Ying-Feng; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Zhu, Jing; Liu, Jing-Xin; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Ionic radius-dependent self-assembly of closed/opened molecular capsules based on pentacyclopentanocucurbit[5]uril","RSC Advances","2012","2","13","5663","","10.1039/c2ra20569f","","","0.71073","MoKα","","0.0749","0.0507","","","0.1355","0.1512","","","","","","1.049","","","","has coordinates","244271","2020-10-21","18:00:00",""
"7238647","23.864","0.009","18.914","0.007","29.501","0.011","90","","90","","90","","13316","9","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H90 Ba N22 O31 -","- C50 H60 Ba N22 O31 -","- C400 H480 Ba8 N176 O248 -","8","1","","Hu, Ying-Feng; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Zhu, Jing; Liu, Jing-Xin; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Ionic radius-dependent self-assembly of closed/opened molecular capsules based on pentacyclopentanocucurbit[5]uril","RSC Advances","2012","2","13","5663","","10.1039/c2ra20569f","","","0.71073","MoKα","","0.0858","0.0561","","","0.1326","0.1489","","","","","","1.024","","","","has coordinates","244271","2020-10-21","18:00:00",""
"7238648","6.3675","0.0009","7.5155","0.0011","13.1748","0.0019","105.757","0.002","94.059","0.002","91.292","0.002","604.69","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cr O3 S2 -","- C11 H10 Cr O3 S2 -","- C22 H20 Cr2 O6 S4 -","2","1","","Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W.","Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes","RSC Advances","2012","2","14","6049","","10.1039/c2ra20592k","","","0.71073","MoKα","","0.039","0.0299","","","0.0744","0.079","","","","","","1.064","","","","has coordinates","244272","2020-10-21","18:00:00",""
"7238649","6.349","0.003","25.347","0.011","7.531","0.003","90","","91.629","0.006","90","","1211.5","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cr O3 S2 -","- C11 H10 Cr O3 S2 -","- C44 H40 Cr4 O12 S8 -","4","1","","Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W.","Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes","RSC Advances","2012","2","14","6049","","10.1039/c2ra20592k","","","0.71073","MoKα","","0.1535","0.0971","","","0.2398","0.2693","","","","","","1.173","","","","has coordinates","244272","2020-10-21","18:00:00",""
"7238650","10.6871","0.0012","7.2672","0.0008","18.787","0.002","90","","97.4396","0.0013","90","","1446.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cr O3 S2 -","- C13 H14 Cr O3 S2 -","- C52 H56 Cr4 O12 S8 -","4","1","","Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W.","Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes","RSC Advances","2012","2","14","6049","","10.1039/c2ra20592k","","","0.6719","synchrotron","","0.0386","0.0372","","","0.1041","0.1058","","","","","","1.045","","","","has coordinates","244272","2020-10-21","18:00:00",""
"7238651","9.013","0.0009","10.2094","0.001","12.8603","0.0013","106.757","0.0015","99.0147","0.0016","109.56","0.0015","1024.83","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Cr O3 S2 -","- C23 H18 Cr O3 S2 -","- C46 H36 Cr2 O6 S4 -","2","1","","Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W.","Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes","RSC Advances","2012","2","14","6049","","10.1039/c2ra20592k","","","0.71073","MoKα","","0.0406","0.0315","","","0.0764","0.0819","","","","","","1.064","","","","has coordinates","244272","2020-10-21","18:00:00",""
"7238652","11.7886","0.0007","24.6453","0.0015","10.2118","0.0006","90","","115.625","0.0009","90","","2675.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cr O3 S3 -","- C30 H24 Cr O3 S3 -","- C120 H96 Cr4 O12 S12 -","4","1","","Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W.","Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes","RSC Advances","2012","2","14","6049","","10.1039/c2ra20592k","","","0.71073","MoKα","","0.0498","0.0383","","","0.103","0.1109","","","","","","1.047","","","","has coordinates","244272","2020-10-21","18:00:00",""
"7238653","14.6153","0.0002","10.1839","0.0001","17.6301","0.0002","90","","93.013","0.001","90","","2620.45","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","'Ni hydrozone complex'","'Ni hydrozone complex'","","- C32 H25 N2 Ni O2 P -","- C32 H25 N2 Ni O2 P -","- C128 H100 N8 Ni4 O8 P4 -","4","1","","Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Muthiah, Packianathan Thomas; Dharmaraj, Nallasamy","Nickel and cobalt complexes of benzoic acid (2-hydroxy-benzylidene)-hydrazide ligand: synthesis, structure and comparative in vitro evaluations of biological perspectives","RSC Advances","2012","2","32","12190","","10.1039/c2ra20597a","","","0.71073","MoKα","","0.1161","0.0594","","","0.1606","0.1909","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238654","10.5181","0.0005","14.22","0.0006","19.9005","0.0009","77.689","0.003","84.636","0.003","79.795","0.003","2857.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H111.2 Co3 N8 O17.6 P4 -","- C128 H111.2 Co3 N8 O17.6 P4 -","- C128 H111.2 Co3 N8 O17.6 P4 -","1","0.5","","Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Muthiah, Packianathan Thomas; Dharmaraj, Nallasamy","Nickel and cobalt complexes of benzoic acid (2-hydroxy-benzylidene)-hydrazide ligand: synthesis, structure and comparative in vitro evaluations of biological perspectives","RSC Advances","2012","2","32","12190","","10.1039/c2ra20597a","","","0.71073","MoKα","","0.1302","0.0668","","","0.1451","0.2063","","","","","","1.172","","","","has coordinates","244273","2020-10-21","18:00:00",""
"7238655","16.9285","0.0016","14.9877","0.0014","19.0063","0.0018","90","","93.066","0.002","90","","4815.4","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Cu3 N16 O40 P W12 -","- C8 H16 Cu3 N16 O40 P W12 -","- C32 H64 Cu12 N64 O160 P4 W48 -","4","1","","Yang, Yanan; Gong, Jingjing; Zhang, Weisong; Zhang, Hengchao; Zhang, Lili; Liu, Yang; Huang, Hui; Hu, Hailiang; Kang, Zhenhui","High-connected strategy of polyoxometalates towards model of core‒shell nanostructure","RSC Advances","2012","2","16","6414","","10.1039/c2ra20605f","","","0.71073","MoKα","","0.0526","0.0398","","","0.1175","0.1272","","","","","","1.076","","","","has coordinates,has disorder","244274","2020-10-21","18:00:00",""
"7238656","10.0393","0.0012","13.9688","0.0016","19.893","0.002","90","","102.369","0.002","90","","2725","0.5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Ag8 N16 O42 S4 Si W12 -","- C8 H12 Ag8 N16 O42 S4 Si W12 -","- C16 H24 Ag16 N32 O84 S8 Si2 W24 -","2","0.5","","Yang, Yanan; Gong, Jingjing; Zhang, Weisong; Zhang, Hengchao; Zhang, Lili; Liu, Yang; Huang, Hui; Hu, Hailiang; Kang, Zhenhui","High-connected strategy of polyoxometalates towards model of core‒shell nanostructure","RSC Advances","2012","2","16","6414","","10.1039/c2ra20605f","","","0.71073","MoKα","","0.0877","0.0761","","","0.1474","0.1511","","","","","","1.305","","","","has coordinates","244274","2020-10-21","18:00:00",""
"7238657","9.9493","0.0012","14.0796","0.0017","19.906","0.002","90","","101.585","0.002","90","","2731.7","0.5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H19 Ag6 N16 O42 P S6 W12 -","- C8 H12 Ag6 N16 O42 P S6 W12 -","- C16 H24 Ag12 N32 O84 P2 S12 W24 -","2","0.5","","Yang, Yanan; Gong, Jingjing; Zhang, Weisong; Zhang, Hengchao; Zhang, Lili; Liu, Yang; Huang, Hui; Hu, Hailiang; Kang, Zhenhui","High-connected strategy of polyoxometalates towards model of core‒shell nanostructure","RSC Advances","2012","2","16","6414","","10.1039/c2ra20605f","","","0.71073","MoKα","","0.054","0.0436","","","0.1043","0.1101","","","","","","0.999","","","","has coordinates","244274","2020-10-21","18:00:00",""
"7238658","7.115","0.005","12.488","0.005","14.141","0.005","73.839","0.005","87.734","0.005","81.732","0.005","1194.3","1.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 Cl N2 -","- C13 H13 Cl N2 -","- C52 H52 Cl4 N8 -","4","2","","Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Kia, Reza","Application of a multi-SO3H Brønsted acidic ionic liquid in water: a highly efficient and reusable catalyst for the regioselective and scaled-up synthesis of pyrazoles under mild conditions","RSC Advances","2012","2","13","5610","","10.1039/c2ra20624b","","","0.71069","MoKα","","0.3999","0.0396","","","0.0348","0.0578","","","","","","0.475","","","","has coordinates","244275","2020-10-21","18:00:00",""
"7238659","25.542","0.005","9.4168","0.0019","6.0399","0.0012","90","","90","","90","","1452.7","0.5","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H8 Cl F3 N2 S -","- C14 H8 Cl F3 N2 S -","- C56 H32 Cl4 F12 N8 S4 -","4","1","","Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Kia, Reza","Application of a multi-SO3H Brønsted acidic ionic liquid in water: a highly efficient and reusable catalyst for the regioselective and scaled-up synthesis of pyrazoles under mild conditions","RSC Advances","2012","2","13","5610","","10.1039/c2ra20624b","","","0.71073","MoKα","","0.107","0.0505","","","0.1211","0.1331","","","","","","0.767","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238660","11.767","0.002","6.7984","0.0014","13.303","0.003","90","","115.03","0.03","90","","964.3","0.4","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C6 H8 F3 N3 O S -","- C6 H8 F3 N3 O S -","- C24 H32 F12 N12 O4 S4 -","4","1","","Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Kia, Reza","Application of a multi-SO3H Brønsted acidic ionic liquid in water: a highly efficient and reusable catalyst for the regioselective and scaled-up synthesis of pyrazoles under mild conditions","RSC Advances","2012","2","13","5610","","10.1039/c2ra20624b","","","0.71073","MoKα","","0.0713","0.0323","","","0.0605","0.0662","","","","","","0.795","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238661","8.1823","0.0016","13.029","0.003","20.97","0.006","90","","104.99","0.03","90","","2159.5","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(Anthracen-10-yl)-6-methoxy-4-phenylquinoline","2-(Anthracen-10-yl)-6-methoxy-4-phenylquinoline","","- C30 H21 N O -","- C30 H21 N O -","- C120 H84 N4 O4 -","4","1","","Anvar, Salma; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Moghadam, Majid; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Kia, Reza","Efficient and environmentally-benign three-component synthesis of quinolines and bis-quinolines catalyzed by recyclable potassium dodecatungstocobaltate trihydrate under microwave irradiation","RSC Advances","2012","2","23","8713","","10.1039/c2ra20639k","","","0.71073","MoKα","","0.1757","0.0331","","","0.0411","0.0556","","","","","","0.539","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238662","8.218","0.002","12.994","0.003","20.049","0.005","90","","98.997","0.019","90","","2114.6","0.9","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(anthracen-10-yl)-6-chloro-4-phenylquinoline","2-(Anthracen-10-yl)-6-chloro-4-phenylquinoline","","- C29 H18 Cl N -","- C29 H18 Cl N -","- C116 H72 Cl4 N4 -","4","1","","Anvar, Salma; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Moghadam, Majid; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Kia, Reza","Efficient and environmentally-benign three-component synthesis of quinolines and bis-quinolines catalyzed by recyclable potassium dodecatungstocobaltate trihydrate under microwave irradiation","RSC Advances","2012","2","23","8713","","10.1039/c2ra20639k","","","0.71073","MoKα","","0.1389","0.0338","","","0.0515","0.0611","","","","","","0.514","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238663","5.6023","0.0009","16.038","0.002","9.1681","0.0014","90","","97.593","0.003","90","","816.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","0.5","","Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi","Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands","RSC Advances","2012","2","22","8421","","10.1039/c2ra20642k","","","0.71073","MoKα","","0.082","0.0681","","","0.1606","0.1766","","","","","","1.247","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238664","7.831","0.003","8.838","0.003","12.436","0.004","90","","93.886","0.007","90","","858.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","0.5","","Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi","Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands","RSC Advances","2012","2","22","8421","","10.1039/c2ra20642k","","","0.71073","MoKα","","0.1239","0.0739","","","0.1432","0.1632","","","","","","1.123","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238665","11.2497","0.0007","14.6138","0.0008","15.2418","0.0009","85.752","0.002","73.783","0.001","72.581","0.003","2295.6","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H35 Ag2 F6 N5 O14 S2 -","- C44 H35 Ag2 F6 N5 O14 S2 -","- C88 H70 Ag4 F12 N10 O28 S4 -","2","1","","Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi","Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands","RSC Advances","2012","2","22","8421","","10.1039/c2ra20642k","","","0.71073","MoKα","","0.0418","0.0396","","","0.1077","0.1094","","","","","","1.032","","","","has coordinates","244277","2020-10-21","18:00:00",""
"7238666","5.9957","0.0011","23.128","0.004","16.303","0.003","90","","90","","90","","2260.7","0.7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C21 H18 Ag F3 N2 O8 S -","- C21 H18 Ag F3 N2 O8 S -","- C84 H72 Ag4 F12 N8 O32 S4 -","4","0.5","","Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi","Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands","RSC Advances","2012","2","22","8421","","10.1039/c2ra20642k","","","0.71073","MoKα","","0.0516","0.0433","","","0.1057","0.1106","","","","","","1.093","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7238667","9.493","0.005","11.707","0.005","12.816","0.006","79.59","0.03","73.54","0.04","73.58","0.03","1302.4","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","2","","Thalluri, Kishore; Nadimpally, Krishna Chaitanya; Paul, Ashim; Mandal, Bhubaneswar","Waste reduction in amide synthesis by a continuous method based on recycling of the reaction mixture","RSC Advances","2012","2","17","6838","","10.1039/c2ra20643a","","","0.71073","MoKα","","0.1314","0.0672","","","0.1619","0.2003","","","","","","0.908","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238668","10.0436","0.0005","14.5106","0.0008","9.4623","0.0005","90","","90","","90","","1379.02","0.13","296","2","296","2","","","","","","","Synthesised","4","P c a 21","P 2c -2ac","29","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Thalluri, Kishore; Nadimpally, Krishna Chaitanya; Paul, Ashim; Mandal, Bhubaneswar","Waste reduction in amide synthesis by a continuous method based on recycling of the reaction mixture","RSC Advances","2012","2","17","6838","","10.1039/c2ra20643a","","x-ray","0.71073","MoKα","","0.1304","0.0521","","","0.1182","0.1419","","","","","","0.595","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238669","12.1735","0.0008","10.4551","0.0007","14.3322","0.0009","90","","100.548","0.001","90","","1793.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Br2 N2 Ni -","- C17 H20 Br2 N2 Ni -","- C68 H80 Br8 N8 Ni4 -","4","1","","Dudley, Timothy J.; Beck, Jennifer E.; Santos, Earl E. P.; Johnston, Kathryn A.; Kassel, William S.; Dougherty, William G.; Boyko, Walter J.; Zubris, Deanna L.","Conformational analysis via calculations and NMR spectroscopy for isomers of the mono(imino)pyridine ligand, 2-{(2,6-Me2-C6H3)NC(i-Pr)}C5H4N","RSC Advances","2012","2","15","6237","","10.1039/c2ra20688a","","","0.71073","MoKα","","0.0623","0.0345","","","0.0555","0.0606","","","","","","1.055","","","","has coordinates","244279","2020-10-21","18:00:00",""
"7238670","6.8767","0.0005","8.337","0.0007","11.2958","0.0009","89.913","0.004","75.058","0.003","89.886","0.004","625.7","0.09","296","2","296","2","","","","","","","","5","P 1","P 1","1","7,7-Dimethyl-hexahydro-3H-tetraoxa-5-thia-clyclopenta- indaceneoxide","7,7-Dimethyl-hexahydro-3H-tetraoxa-5-thia-clyclopenta-indaceneoxide","","- C12 H17 N O5 S -","- C11 H15 N O6 S -","- C22 H30 N2 O12 S2 -","2","2","","Mukherjee, Subhrangshu; Mandal, Sukhendu B.; Bhattacharjya, Anup","Carbohydrate nitrone and nitrile oxide cycloaddition approach to chiral sulfur heterocycles and nucleosides","RSC Advances","2012","2","24","8969","","10.1039/c2ra20689g","","","0.71073","MoKa","","0.0515","0.0494","","","0.1144","0.115","","","","","","2.6","","","","has coordinates","244280","2020-10-21","18:00:00",""
"7238671","7.654","0.0013","16.83","0.003","11.568","0.002","90","","99.578","0.002","90","","1469.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Zhang, Yu; Pan, Ling; Xu, Xianxiu; Liu, Qun","An efficient pyrroline annulation of glycine imine with enones","RSC Advances","2012","2","12","5138","","10.1039/c2ra20697h","","","0.71069","MoKα","","0.0816","0.0448","","","0.1091","0.1242","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238672","8.8559","0.0011","23.483","0.003","17.042","0.002","90","","90.122","0.002","90","","3544.1","0.8","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H20 O4 P2 -","- C7 H20 O4 P2 -","- C84 H240 O48 P24 -","12","3","","Wang, Xiang-Bo; Saga, Yuta; Shen, Ruwei; Fujino, Hiroyoshi; Goto, Midori; Han, Li-Biao","Umpolung catalyzed by organophosphines: efficient β,β-dimerization of vinylphosphonates affording linear dimers","RSC Advances","2012","2","14","5935","","10.1039/c2ra20704d","","","0.71073","MoKα","","0.043","0.035","","","0.0846","0.0893","","","","","","1.034","","","","has coordinates,has disorder","244282","2020-10-21","18:00:00",""
"7238673","7.418","0.002","10.583","0.003","10.003","0.003","90","","98.473","0.003","90","","776.7","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 Fe O -","- C20 H18 Fe O -","- C40 H36 Fe2 O2 -","2","1","","Busetto, Luigi; Mazzoni, Rita; Salmi, Mauro; Zacchini, Stefano; Zanotti, Valerio","Iron(ii) catalyzed dehydrative etherification of alcohols: a convenient route to ferrocenylmethanol-ethers","RSC Advances","2012","2","17","6810","","10.1039/c2ra20708g","","","0.71073","MoKα","","0.0495","0.0385","","","0.0865","0.092","","","","","","0.99","","","","has coordinates","244283","2020-10-21","18:00:00",""
"7238674","10.101","0.012","12.616","0.015","14.018","0.017","96.91","0.017","98.657","0.019","90.19","0.019","1753","4","241","2","241","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cu2 N4 Si2 -","- C32 H50 Cu2 N4 Si2 -","- C64 H100 Cu4 N8 Si4 -","2","1","","Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng","Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes","RSC Advances","2012","2","16","6599","","10.1039/c2ra20709e","","","0.71073","MoKα","","0.0616","0.0394","","","0.0867","0.0977","","","","","","0.995","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238675","19.456","0.017","9.444","0.008","21.882","0.02","90","","93.237","0.017","90","","4014","6","238","2","238","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H60 Mg N4 O Si2 -","- C36 H60 Mg N4 O Si2 -","- C144 H240 Mg4 N16 O4 Si8 -","4","0.5","","Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng","Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes","RSC Advances","2012","2","16","6599","","10.1039/c2ra20709e","","","0.71073","MoKα","","0.1189","0.0607","","","0.1447","0.1825","","","","","","0.929","","","","has coordinates,has disorder","244284","2020-10-21","18:00:00",""
"7238676","10.24","0.003","12.316","0.004","20.617","0.006","90","","90","","90","","2600.1","1.4","234","2","234","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H41 Li N4 Si -","- C22 H41 Li N4 Si -","- C88 H164 Li4 N16 Si4 -","4","1","","Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng","Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes","RSC Advances","2012","2","16","6599","","10.1039/c2ra20709e","","","0.71073","MoKα","","0.0788","0.0593","","","0.152","0.1641","","","","","","0.974","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238677","32.031","0.019","9.999","0.006","15.155","0.009","90","","90","","90","","4854","5","238","2","238","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H74 Li2 N4 O3 Si2 -","- C44 H74 Li2 N4 O3 Si2 -","- C176 H296 Li8 N16 O12 Si8 -","4","1","","Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng","Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes","RSC Advances","2012","2","16","6599","","10.1039/c2ra20709e","","","0.71073","MoKα","","0.1664","0.0812","","","0.1906","0.2462","","","","","","1.015","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238678","10.5093","0.0014","13.6166","0.0017","9.1287","0.0012","90","","114.028","0.006","90","","1193.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Paul, Rajesh; Punniyamurthy, Tharmalingam","Copper-catalysed one-pot synthesis of N-substituted benzo[d]isothiazol-3(2H)-ones via C-S/N-S bond formation","RSC Advances","2012","2","18","7057","","10.1039/c2ra20724a","","","0.71073","MoKα","","0.0584","0.0388","","","0.0879","0.0947","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238679","15.5323","0.0006","15.5323","0.0006","11.4631","0.0006","90","","90","","120","","2394.99","0.18","200","2","200","2","","","","","","","","4","P -3","-P 3","147","","","","- C48 H49 N5 O9 -","- C48 H49 N5 O9 -","- C96 H98 N10 O18 -","2","0.333333","","Singh, Ashutosh S.; Sun, Shih-Sheng","Reversible encapsulation of a nitrate guest via hydrogen-bonded self-assembled capsule formation by a flexible tripodal receptor in polar solvent through dynamic self-assembly","RSC Advances","2012","2","25","9502","","10.1039/c2ra20759a","","","0.71073","MoKα","","0.2109","0.1807","","","0.4861","0.4985","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238680","23.327","0.014","11.333","0.006","15.245","0.009","90","","99.697","0.015","90","","3973","4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 N7 O12 -","- C45 H39 N7 O12 -","- C180 H156 N28 O48 -","4","1","","Singh, Ashutosh S.; Sun, Shih-Sheng","Reversible encapsulation of a nitrate guest via hydrogen-bonded self-assembled capsule formation by a flexible tripodal receptor in polar solvent through dynamic self-assembly","RSC Advances","2012","2","25","9502","","10.1039/c2ra20759a","","","0.71073","MoKα","","0.2315","0.17","","","0.4652","0.4923","","","","","","1.651","","","","has coordinates","244286","2020-10-21","18:00:00",""
"7238681","12.923","0.004","8.679","0.003","23.217","0.007","90","","102.312","0.011","90","","2544.1","1.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Cl4 N2 O3 -","- C27 H18 Cl4 N2 O3 -","- C108 H72 Cl16 N8 O12 -","4","1","","Neves, Cláudia M. B.; Simões, Mário M. Q.; Domíngues, M.Rosário M.; Santos, Isabel C. M. S.; Neves, M.Graça P. M. S.; Paz, Filipe A. Almeida; Silva, Artur M. S.; Cavaleiro, José A. S.","Oxidation of diclofenac catalyzed by manganese porphyrins: synthesis of novel diclofenac derivatives","RSC Advances","2012","2","19","7427","","10.1039/c2ra20801f","","","0.71073","MoKα","","0.1766","0.0583","","","0.1032","0.1374","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238682","10.851","0.002","10.951","0.002","14.929","0.003","87.827","0.012","84.53","0.011","80.818","0.011","1742.8","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Cl2 N O5 -","- C17 H13 Cl2 N O5 -","- C68 H52 Cl8 N4 O20 -","4","2","","Neves, Cláudia M. B.; Simões, Mário M. Q.; Domíngues, M.Rosário M.; Santos, Isabel C. M. S.; Neves, M.Graça P. M. S.; Paz, Filipe A. Almeida; Silva, Artur M. S.; Cavaleiro, José A. S.","Oxidation of diclofenac catalyzed by manganese porphyrins: synthesis of novel diclofenac derivatives","RSC Advances","2012","2","19","7427","","10.1039/c2ra20801f","","","0.71073","MoKα","","0.1683","0.0956","","","0.2254","0.2686","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238683","17.142","0.004","14.596","0.003","18.909","0.004","90","","111.326","0.004","90","","4407.2","1.7","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Br N O2 P S -","- C23 H21 Br N O2 P S -","- C184 H168 Br8 N8 O16 P8 S8 -","8","1","","Meng, Xiangtai; Xie, Peizhong; Huang, You; Chen, Ruyu","Organocatalytic domino reaction of salicyl N-thiophosphoryl imines and methyl vinyl ketone initiated by an aza-MBH reaction with bifunctional phosphine catalysts","RSC Advances","2012","2","21","8104","","10.1039/c2ra20823g","","","0.71073","MoKα","","0.1036","0.0472","","","0.1018","0.1251","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238684","8.8927","0.0007","11.1096","0.0009","11.2148","0.0007","64.309","0.007","75.677","0.006","87.598","0.007","964.68","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O -","- C27 H22 O -","- C54 H44 O2 -","2","1","","Yao, Liang-Feng; Tan, Davin; Miao, Xiaohe; Huang, Kuo-Wei","A route to hydroxylfluorenes: TsOH-mediated condensation reactions of 1,3-diketones with propargylic alcohols","RSC Advances","2012","2","19","7594","","10.1039/c2ra20852k","","","0.71073","MoKα","","0.0773","0.0654","","","0.1939","0.2089","","","","","","0.78","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238685","7.7884","0.0005","5.916","0.0004","28.2073","0.0019","90","","95.261","0.001","90","","1294.21","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N S3 -","- C12 H15 N S3 -","- C48 H60 N4 S12 -","4","1","","Ahammed, Sabir; Saha, Amit; Ranu, Brindaban C.","Ruthenium catalysed one-pot synthesis of S-allyl and cinnamyl dithiocarbamates using allyl and cinnamyl acetates in water","RSC Advances","2012","2","15","6329","","10.1039/c2ra20856c","","","0.71073","MoKα","","0.0324","0.028","","","0.0715","0.0743","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238686","5.9196","0.0003","19.4951","0.0009","9.1303","0.0005","90","","107.906","0.005","90","","1002.63","0.09","123","","123","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C48 H50 N2 O6 -","2","1","","Haindl, Michael H.; Schmid, Markus B.; Zeitler, Kirsten; Gschwind, Ruth M.","What is your actual catalyst? TMS cleavage rates of diarylprolinol silyl ethers studied by in situ NMR","RSC Advances","2012","2","14","5941","","10.1039/c2ra20860a","","x-ray","1.54184","CuKα","","0.0513","0.0455","","","0.1208","0.1276","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238687","11.978","0.001","12.7819","0.0011","24.262","0.002","104.128","0.003","93.847","0.003","91.5","0.003","3590.6","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H90 Cl2 N26 O28 -","- C52 H60 Cl2 N26 O28 -","- C104 H120 Cl4 N52 O56 -","2","1","","Lin, Rui-Lian; Dong, Yong-Ping; Hu, Ying-Feng; Liu, Jing-Xin; Bai, Lin-Shang; Gao, Jia-You; Zhu, Hai-Liang; Zhao, Jing","Inclusion of methylviologen in symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril","RSC Advances","2012","2","20","7754","","10.1039/c2ra20918g","","","0.71073","MoKα","","0.141","0.117","","","0.3566","0.3962","","","","","","1.006","","","","has coordinates","244292","2020-10-21","18:00:00",""
"7238688","14.1104","0.0008","4.8957","0.0002","16.7631","0.0008","90","","94.64","0.004","90","","1154.2","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","","Saikia, Jiban; Saha, Bedabrata; Das, Gopal","Morphosynthesis of framboidal stable vaterite using a salicylic acid-aniline dye as an additive","RSC Advances","2012","2","26","10015","","10.1039/c2ra20975f","","","0.71073","MoKα","","0.1267","0.0525","","","0.1136","0.1445","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238689","11.1999","0.0004","12.2306","0.0004","16.1208","0.0006","90","","97.15","0.002","90","","2191.08","0.13","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C46 H56 Fe2 O14 -","- C46 H56 Fe2 O14 -","- C92 H112 Fe4 O28 -","2","1","","Sreeshailam, Aare; Dayaker, Gandrath; Ramana, D. Venkata; Chevallier, Floris; Roisnel, Thierry; Komagawa, Shinsuke; Takita, Ryo; Uchiyama, Masanobu; Krishna, Palakodety Radha; Mongin, Florence","Synthesis of both enantiomers of ferrocene[1,2-c]1H-quinolin-2-one by diastereoselective deproto-zincation of sugar-derived ferrocene esters","RSC Advances","2012","2","18","7030","","10.1039/c2ra21045b","","x-ray","0.71073","MoKα","","0.0275","0.0249","","","0.055","0.0562","","","","","","1","","","","has coordinates","244294","2020-10-21","18:00:00",""
"7238690","27.0951","0.0007","27.0951","","10.349","0.0003","90","","90","","120","","6579.8","0.3","150","2","150","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C17 H13 Fe N O -","- C17 H13 Fe N O -","- C306 H234 Fe18 N18 O18 -","18","1","","Sreeshailam, Aare; Dayaker, Gandrath; Ramana, D. Venkata; Chevallier, Floris; Roisnel, Thierry; Komagawa, Shinsuke; Takita, Ryo; Uchiyama, Masanobu; Krishna, Palakodety Radha; Mongin, Florence","Synthesis of both enantiomers of ferrocene[1,2-c]1H-quinolin-2-one by diastereoselective deproto-zincation of sugar-derived ferrocene esters","RSC Advances","2012","2","18","7030","","10.1039/c2ra21045b","","x-ray","0.71073","MoKα","","0.0315","0.0288","","","0.0856","0.0872","","","","","","1.074","","","","has coordinates","244294","2020-10-21","18:00:00",""
"7238691","15.5491","0.0014","7.6562","0.0007","15.7781","0.0014","90","","105.304","0.007","90","","1811.7","0.3","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl N4 O Pd S -","- C18 H13 Cl N4 O2 Pd S -","- C72 H52 Cl4 N16 O8 Pd4 S4 -","4","1","","Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh","Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions","RSC Advances","2012","2","31","11751","","10.1039/c2ra21078a","","","0.71073","MoKα","","0.1101","0.0597","","","0.1765","0.2265","","","","","","0.719","","","","has coordinates","244295","2020-10-21","18:00:00",""
"7238692","14.643","0.002","7.9232","0.0011","15.771","0.002","90","","107.518","0.01","90","","1744.9","0.4","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl N4 O Pd S -","- C17 H13 Cl N4 O Pd S -","- C68 H52 Cl4 N16 O4 Pd4 S4 -","4","1","","Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh","Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions","RSC Advances","2012","2","31","11751","","10.1039/c2ra21078a","","","0.71073","MoKα","","0.1925","0.1257","","","0.2886","0.316","","","","","","1.688","","","","has coordinates","244295","2020-10-21","18:00:00",""
"7238693","27.9696","0.0019","35.857","0.003","7.033","0.0005","90","","90","","90","","7053.4","0.9","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H19 N4 O Pd S -","- C18 H16 N4 O Pd S -","- C288 H256 N64 O16 Pd16 S16 -","16","1","","Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh","Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions","RSC Advances","2012","2","31","11751","","10.1039/c2ra21078a","","","0.71073","MoKα","","0.069","0.0385","","","0.074","0.0835","","","","","","0.934","","","","has coordinates","244295","2020-10-21","18:00:00",""
"7238694","11.1965","0.0017","15.03","0.002","10.6135","0.0016","90","","106.835","0.003","90","","1709.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Snape, Timothy J.; Karakoula, Katherine; Rowther, Farzana; Warr, Tracy","Exploiting conformationally restricted N,N′-dimethyl-N,N′-diarylureas as biologically active CC double bond analogues: synthesis and biological evaluation of combretastatin A-4 analogues","RSC Advances","2012","2","19","7557","","10.1039/c2ra21096g","","","0.71073","MoKα","","0.098","0.074","","","0.1243","0.1329","","","","","","1.202","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238695","9.868","0.004","13.348","0.006","15.424","0.007","66.326","0.007","86.745","0.008","76.657","0.007","1809","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","2","","Snape, Timothy J.; Karakoula, Katherine; Rowther, Farzana; Warr, Tracy","Exploiting conformationally restricted N,N′-dimethyl-N,N′-diarylureas as biologically active CC double bond analogues: synthesis and biological evaluation of combretastatin A-4 analogues","RSC Advances","2012","2","19","7557","","10.1039/c2ra21096g","","","0.71073","MoKα","","0.1117","0.0709","","","0.1643","0.181","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238696","9.1922","0.0011","10.0794","0.0012","11.4797","0.0013","105.782","0.001","97.609","0.001","99.773","0.001","990.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O -","- C27 H21 N O -","- C54 H42 N2 O2 -","2","1","","Shang, Yongjia; Wang, Lifen; He, Xinwei; Zhang, Min","Novel syntheses of pyrrolo[2,1-a]isoquinolines via 1,3-dipolar cycloaddition between Isoquinoliniums and alkynes","RSC Advances","2012","2","20","7681","","10.1039/c2ra21116e","","","0.71073","MoKα","","0.0471","0.0407","","","0.1122","0.1199","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238697","12.4387","0.0009","18.3179","0.0014","11.7836","0.0009","90","","94.461","0.001","90","","2676.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N O2 -","- C36 H27 N O2 -","- C144 H108 N4 O8 -","4","1","","Shang, Yongjia; Wang, Lifen; He, Xinwei; Zhang, Min","Novel syntheses of pyrrolo[2,1-a]isoquinolines via 1,3-dipolar cycloaddition between Isoquinoliniums and alkynes","RSC Advances","2012","2","20","7681","","10.1039/c2ra21116e","","","0.71073","MoKα","","0.075","0.0562","","","0.1606","0.1817","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238698","8.9045","0.0011","10.3308","0.0012","14.0372","0.0017","106.489","0.003","100.946","0.003","90.64","0.003","1212.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Mn3 N22 O12 -","- C40 H40 Mn3 N22 O12 -","- C40 H40 Mn3 N22 O12 -","1","0.5","","Wang, Yan-Qin; Cheng, Ai-Ling; Wang, Xuan; Gao, En-Qing","Mixed azide and carboxylate bridged trinuclear Mn(ii) and Co(ii) motifs in coordination ladders: structures and magnetism","RSC Advances","2012","2","27","10352","","10.1039/c2ra21173d","","","0.71073","MoKα","","0.0332","0.0289","","","0.0784","0.0815","","","","","","1.05","","","","has coordinates","244298","2020-10-21","18:00:00",""
"7238699","24.196","0.003","9.5392","0.0012","16.684","0.002","90","","101.545","0.002","90","","3772.9","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 N10 Ni O14 S2 -","- C28 H40 N10 Ni O14 S2 -","- C112 H160 N40 Ni4 O56 S8 -","4","0.5","","Ramachandran, Eswaran; Raja, Duraisamy Senthil; Mike, Joshua L.; Wagner, Timothy R.; Zeller, Matthias; Natarajan, Karuppannan","Evaluation on the role of terminal N-substitution in 6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the biological properties of new water-soluble nickel(ii) complexes","RSC Advances","2012","2","22","8515","","10.1039/c2ra21199h","","","0.71073","MoKα","","0.0533","0.038","","","0.0895","0.1003","","","","","","1.048","","","","has coordinates,has disorder","244299","2020-10-21","18:00:00",""
"7238700","9.8423","0.0005","13.4447","0.0007","13.1983","0.0007","90","","101.539","0.002","90","","1711.19","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25.26 Br N O0.63 -","- C17 H25.256 Br N O0.628 -","- C68 H101.024 Br4 N4 O2.512 -","4","1","","Lava, Kathleen; Evrard, Yannick; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen","Quinolinium and isoquinolinium ionic liquid crystals","RSC Advances","2012","2","21","8061","","10.1039/c2ra21208k","","","1.54178","CuKα","","0.0668","0.0537","","","0.1285","0.138","","","","","","1.044","","","","has coordinates","244301","2020-10-21","18:00:00",""
"7238701","8.0982","0.0002","8.6854","0.0002","23.0307","0.0005","96.833","0.001","98.696","0.001","104.907","0.001","1526.1","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H49 N O4 S -","- C29 H49 N O4 S -","- C58 H98 N2 O8 S2 -","2","1","","Lava, Kathleen; Evrard, Yannick; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen","Quinolinium and isoquinolinium ionic liquid crystals","RSC Advances","2012","2","21","8061","","10.1039/c2ra21208k","","","1.54178","CuKα","","0.1377","0.0814","","","0.1675","0.1885","","","","","","1.087","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238702","7.4669","0.0006","9.0018","0.0006","12.991","0.0011","93.708","0.005","95.044","0.006","93.142","0.005","866.39","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 F3 N O5 P -","- C16 H19 F3 N O5 P -","- C32 H38 F6 N2 O10 P2 -","2","1","","Duda, Blazej; Tverdomed, Sergey N.; Röschenthaler, Gerd-Volker","An efficient and regioselective synthetic approach towards fluorinated quinolinylphosphonates","RSC Advances","2012","2","24","9135","","10.1039/c2ra21212a","","","0.71073","MoKα","","0.0713","0.0426","","","0.0985","0.1118","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238703","9.2138","0.0015","9.2556","0.0015","14.723","0.003","99.6509","0.0016","96.6679","0.0014","112.748","0.0015","1118.7","0.3","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H30 N2 O9 -","- C19 H25 N2 O9 -","- C38 H50 N4 O18 -","2","1","","Yamazaki, Shoko; Maenaka, Yuta; Fujinami, Ken; Mikata, Yuji","Triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with activated alkenes leading to pyrazolines","RSC Advances","2012","2","21","8095","","10.1039/c2ra21249h","","","0.7107","MoKα","","","0.06","","","","0.1697","","","","","","1.06","","","","has coordinates","244303","2020-10-21","18:00:00",""
"7238704","14.83","0.003","9.225","0.0016","14.606","0.002","90","","90","","90","","1998.2","0.6","110","","110","","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C12 H18 F6 Li N6 P -","- C12 H18 F6 Li N6 P -","- C48 H72 F24 Li4 N24 P4 -","4","0.5","","Seo, Daniel M.; Boyle, Paul D.; Borodin, Oleg; Henderson, Wesley A.","Li+ cation coordination by acetonitrile—insights from crystallography","RSC Advances","2012","2","21","8014","","10.1039/c2ra21290k","","","0.71073","MoKα","","0.0547","0.0402","","","0.101","0.1088","","","","","","1.019","","","","has coordinates,has disorder","244304","2020-10-21","18:00:00",""
"7238705","11.7352","0.0005","8.5659","0.0003","12.1021","0.0004","90","","110.616","0.002","90","","1138.63","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 O1.063 -","- C12 H14 N4 O1.063 -","- C48 H56 N16 O4.252 -","4","1","","Monbaliu, Jean-Christophe M.; Beagle, Lucas K.; Kovacs, Judit; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","En route towards α-benzotriazoyl nitroso derivatives","RSC Advances","2012","2","24","8941","","10.1039/c2ra21311g","","","0.71073","MoKα","","0.0469","0.0376","","","0.0976","0.1041","","","","","","1.069","","","","has coordinates,has disorder","244305","2020-10-21","18:00:00",""
"7238706","5.9246","0.0009","11.7114","0.0019","16.898","0.003","90","","90","","90","","1172.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C48 H56 N16 O8 -","4","1","","Monbaliu, Jean-Christophe M.; Beagle, Lucas K.; Kovacs, Judit; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","En route towards α-benzotriazoyl nitroso derivatives","RSC Advances","2012","2","24","8941","","10.1039/c2ra21311g","","","0.71073","MoKα","","0.0362","0.0346","","","0.0888","0.0904","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238707","12.536","0.002","7.7673","0.0011","18.601","0.003","90","","104.154","0.004","90","","1756.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N O -","- C20 H17 Cl2 N O -","- C80 H68 Cl8 N4 O4 -","4","1","","Reddy, G. Rajeshwar; Reddy, T. Ram; Joseph, Suju C.; Reddy, K. Sateesh; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rambabu, D.; Krishna, G. Rama; Reddy, C. Malla; Parsa, Kishore V. L.; Kumar, K. Shiva; Pal, Manojit","Yb(OTf)3 mediated MCR: a new and regioselective approach towards polysubstituted pyrroles of pharmacological interest","RSC Advances","2012","2","24","9142","","10.1039/c2ra21343e","","","0.71073","MoKα","","0.1043","0.0474","","","0.1094","0.136","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238708","9.0282","0.0003","13.7694","0.0005","14.72","0.0005","90","","99.307","0.002","90","","1805.8","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 N6 O10 U -","- C8 H14 N6 O10 U -","- C32 H56 N24 O40 U4 -","4","1","","Barber, Patrick S.; Kelley, Steven P.; Rogers, Robin D.","Highly selective extraction of the uranyl ion with hydrophobic amidoxime-functionalized ionic liquids via η2 coordination","RSC Advances","2012","2","22","8526","","10.1039/c2ra21344c","","","0.71073","MoKα","","0.0245","0.0199","","","0.0485","0.0504","","","","","","1.071","","","","has coordinates","244307","2020-10-21","18:00:00",""
"7238709","7.6448","0.0002","7.9573","0.0002","11.2132","0.0002","85.282","0.001","81.158","0.001","72.499","0.001","642.35","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 I N O4 -","- C13 H10 I N O4 -","- C26 H20 I2 N2 O8 -","2","1","","Christensen, Mikkel Andreas; Jennum, Karsten; Abrahamsen, Peter Bæch; Pia, Eduardo Antonio Della; Lincke, Kasper; Broman, Søren Lindbæk; Nygaard, David Bo; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Highly fluorescent benzofuran derivatives of the GFP chromophore","RSC Advances","2012","2","22","8243","","10.1039/c2ra21380j","","","0.71073","MoKα","","0.0223","0.0207","","","0.0516","0.0526","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238710","12.3535","0.0006","9.0797","0.0005","15.881","0.0008","90","","102.01","0.003","90","","1742.32","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H11 Cl N4 O S -","- C19 H11 Cl N4 S -","- C76 H44 Cl4 N16 S4 -","4","1","","Khan, Md. Nasim; Pal, Suman; Parvin, Tasneem; Choudhury, Lokman H.","A simple and efficient method for the facile access of highly functionalized pyridines and their fluorescence property studies","RSC Advances","2012","2","32","12305","","10.1039/c2ra21385k","","","0.71073","MoKα","","0.0714","0.0567","","","0.1766","0.1883","","","","","","1.297","","","","has coordinates","244309","2020-10-21","18:00:00",""
"7238711","6.83","0.005","10.633","0.008","12.576","0.01","78.645","0.009","74.258","0.009","71.914","0.009","829.3","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H21 N12 O7 P -","- C6 H21 N12 O7 P -","- C12 H42 N24 O14 P2 -","2","1","","Huang, Sheng Tian; Wang, Gang Lin; Li, Nian Bing; Luo, Hong Qun","Mechanism of the pH-induced aggregation reaction between melamine and phosphate","RSC Advances","2012","2","29","10948","","10.1039/c2ra21415f","","","0.71073","MoKα","","0.0711","0.0498","","","0.1271","0.1516","","","","","","1","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238712","8.5922","0.0011","34.87","0.004","12.1899","0.0014","90","","91.989","0.008","90","","3650","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 Co3 N12 O9 -","- C38 H24 Co3 N12 O9 -","- C152 H96 Co12 N48 O36 -","4","1","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Duan, Ya-Ping; Bai, Liang; Yang, Jing-Jing","Unique 3D CoII/ZnII-coordination polymers with (3,4,5)-connected self-penetrating topology: Syntheses, topological structures, luminescent and magnetic properties","RSC Advances","2012","2","30","11219","","10.1039/c2ra21474a","","","0.71073","MoKα","","0.1455","0.0679","","","0.1278","0.1631","","","","","","1.035","","","","has coordinates","244311","2020-10-21","18:00:00",""
"7238713","8.646","0.0008","35.144","0.003","12.0483","0.001","90","","92.381","0.004","90","","3657.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 N12 O9 Zn3 -","- C38 H24 N12 O9 Zn3 -","- C152 H96 N48 O36 Zn12 -","4","1","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Duan, Ya-Ping; Bai, Liang; Yang, Jing-Jing","Unique 3D CoII/ZnII-coordination polymers with (3,4,5)-connected self-penetrating topology: Syntheses, topological structures, luminescent and magnetic properties","RSC Advances","2012","2","30","11219","","10.1039/c2ra21474a","","","0.71073","MoKα","","0.0855","0.0576","","","0.1215","0.1342","","","","","","1.086","","","","has coordinates","244311","2020-10-21","18:00:00",""
"7238714","5.864","0.0002","15.2666","0.0018","26.181","0.002","90","","90","","90","","2343.8","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N3 O5 -","- C25 H26 Br N3 O5 -","- C100 H104 Br4 N12 O20 -","4","1","","Campos, Vinicius R.; Santos, Evelyne A. dos; Ferreira, Vitor F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Costa-Lotufo, Letícia V.; de Moraes, Manoel O.; Regufe, Anna K. P.; Jordão, Alessandro K.; Pinto, Angelo C.; Resende, Jackson A. L. C.; Cunha, Anna C.","Synthesis of carbohydrate-based naphthoquinones and their substituted phenylhydrazono derivatives as anticancer agents","RSC Advances","2012","2","30","11438","","10.1039/c2ra21514d","","x-ray","0.71073","MoKα","","0.0401","0.0289","","","0.0568","0.0583","","","","","","0.95","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238715","5.1446","0.0003","13.3386","0.001","33.974","0.003","90","","90","","90","","2331.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N3 O5 -","- C24 H24 Br N3 O5 -","- C96 H96 Br4 N12 O20 -","4","1","","Campos, Vinicius R.; Santos, Evelyne A. dos; Ferreira, Vitor F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Costa-Lotufo, Letícia V.; de Moraes, Manoel O.; Regufe, Anna K. P.; Jordão, Alessandro K.; Pinto, Angelo C.; Resende, Jackson A. L. C.; Cunha, Anna C.","Synthesis of carbohydrate-based naphthoquinones and their substituted phenylhydrazono derivatives as anticancer agents","RSC Advances","2012","2","30","11438","","10.1039/c2ra21514d","","x-ray","1.54184","CuKα","","0.0719","0.0529","","","0.1243","0.1332","","","","","","1.105","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238716","11.015","0.0012","9.2725","0.001","18.251","0.002","90","","99.203","0.001","90","","1840.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Ag2 N4 O6 S -","- C16 H13 Ag2 N4 O6 S -","- C64 H52 Ag8 N16 O24 S4 -","4","1","","Sun, Jie; Wei, Yan-Hui; Liu, Fu-Ling; Sun, Di","Syntheses, crystal structures and photoluminescent properties of silver(i) and cadmium(ii) coordination polymers constructed from flexible hexadentate di-Schiff base ligands","RSC Advances","2012","2","27","10189","","10.1039/c2ra21533k","","","0.71073","MoKα","","0.0737","0.0481","","","0.1219","0.1344","","","","","","1.034","","","","has coordinates","244313","2020-10-21","18:00:00",""
"7238717","35.5141","0.0011","37.5405","0.0012","10.7672","0.0003","90","","90","","90","","14355","0.8","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H26 Cd2 N8 O12 S2 -","- C32 H26 Cd2 N8 O12 S2 -","- C512 H416 Cd32 N128 O192 S32 -","16","1","","Sun, Jie; Wei, Yan-Hui; Liu, Fu-Ling; Sun, Di","Syntheses, crystal structures and photoluminescent properties of silver(i) and cadmium(ii) coordination polymers constructed from flexible hexadentate di-Schiff base ligands","RSC Advances","2012","2","27","10189","","10.1039/c2ra21533k","","","0.71073","MoKα","","0.0179","0.0166","","","0.0359","0.0365","","","","","","1.015","","","","has coordinates","244313","2020-10-21","18:00:00",""
"7238718","9.3812","0.0014","19.472","0.003","13.19","0.0019","90","","106.254","0.002","90","","2313.1","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl N3 O5 -","- C23 H24 Cl N3 O5 -","- C92 H96 Cl4 N12 O20 -","4","1","","Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi","Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement","RSC Advances","2012","2","24","8949","","10.1039/c2ra21549g","","","0.71073","MoKα","","0.0769","0.0605","","","0.1728","0.1876","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238719","11.3854","0.0012","12.1629","0.0013","12.6647","0.0013","97.717","0.002","95.368","0.002","111.818","0.002","1593.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Cl N2 O3 -","- C15 H17 Cl N2 O3 -","- C60 H68 Cl4 N8 O12 -","4","2","","Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi","Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement","RSC Advances","2012","2","24","8949","","10.1039/c2ra21549g","","","0.71073","MoKα","","0.077","0.0463","","","0.1033","0.1137","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238720","11.936","0.002","9.6365","0.0017","21.342","0.003","90","","116.511","0.007","90","","2196.7","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br Cl N3 O4 -","- C21 H19 Br Cl N3 O4 -","- C84 H76 Br4 Cl4 N12 O16 -","4","1","","Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi","Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement","RSC Advances","2012","2","24","8949","","10.1039/c2ra21549g","","","0.71073","MoKα","","0.0667","0.0532","","","0.1401","0.1493","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238721","8.8443","0.0006","12.9861","0.0009","18.029","0.0013","90","","90","","90","","2070.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N4 O11 -","- C20 H26 N4 O11 -","- C80 H104 N16 O44 -","4","1","","Theile, Christopher S.; McLaughlin, Larry W.","Synthesis of 6,6′-(S)-cyclo-2′-deoxyuridine featuring a unique Barbier-style cyclization","RSC Advances","2012","2","31","11678","","10.1039/c2ra21559d","","","1.54178","CuKα","","0.0261","0.0255","","","0.0646","0.0651","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238722","7.7227","0.0006","11.4586","0.0009","13.0552","0.0011","78.782","0.004","81.895","0.004","80.857","0.004","1111.55","0.16","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O3 S -","- C27 H24 N2 O3 S -","- C54 H48 N4 O6 S2 -","2","1","","Maurya, Hardesh K.; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Huch, Volker; Tandon, Vishnu K.; Ji Ram, Vishnu","A carbanion induced ring switching synthesis of spiranes: an unprecedented approach","RSC Advances","2012","2","24","9091","","10.1039/c2ra21587j","","","0.71073","MoKα","","0.0929","0.0653","","","0.1539","0.1666","","","","","","1.181","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238723","7.883","0.005","11.024","0.005","14.736","0.005","110.363","0.005","96.456","0.005","104.041","0.005","1137.1","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H48 Br2 N4 O4 -","- C53 H48 Br2 N4 O4 -","- C53 H48 Br2 N4 O4 -","1","0.5","","Maurya, Hardesh K.; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Huch, Volker; Tandon, Vishnu K.; Ji Ram, Vishnu","A carbanion induced ring switching synthesis of spiranes: an unprecedented approach","RSC Advances","2012","2","24","9091","","10.1039/c2ra21587j","","","0.71073","MoKα","","0.1261","0.0714","","","0.1698","0.2021","","","","","","1.026","","","","has coordinates","244316","2020-10-21","18:00:00",""
"7238724","18.36","0.003","10.7617","0.0018","15.277","0.003","90","","90","","90","","3018.5","0.9","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","","Reddy, B. V. Subba; Reddy, Y. Vikram; Lakshumma, P. Subba; Narasimhulu, G.; Yadav, J. S.; Sridhar, B.; Reddy, P. Purushotham; Kunwar, A. C.","In(OTf)3-catalyzed tandem aza-Piancatelli rearrangement/Michael reaction for the synthesis of 3,4-dihydro-2H-benzo[b][1,4]thiazine and oxazine derivatives","RSC Advances","2012","2","28","10661","","10.1039/c2ra21591h","","","0.71073","MoKα","","0.042","0.0341","","","0.0898","0.0972","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238725","14.213","0.008","7.615","0.004","34.237","0.018","90","","90","","90","","3706","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H17 F3 -","- C24 H17 F3 -","- C192 H136 F24 -","8","1","","Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling","Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene","RSC Advances","2012","2","30","11529","","10.1039/c2ra21622a","","","0.71073","MoKα","","0.1488","0.0724","","","0.2068","0.2603","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238726","5.9678","0.0003","18.3299","0.0007","15.8727","0.0007","90","","99.236","0.002","90","","1713.79","0.13","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","","Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling","Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene","RSC Advances","2012","2","30","11529","","10.1039/c2ra21622a","","","0.71073","MoKα","","0.0591","0.0459","","","0.1209","0.1309","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238727","14.06","0.005","17.548","0.006","7.824","0.003","90","","90","","90","","1930.4","1.2","293","2","293","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling","Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene","RSC Advances","2012","2","30","11529","","10.1039/c2ra21622a","","","0.71073","MoKα","","0.1531","0.0528","","","0.0875","0.1156","","","","","","0.989","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238728","8.3555","0.0005","11.4727","0.0006","21.3695","0.0012","92.113","0.004","97.85","0.004","91.027","0.004","2027.4","0.2","293","2","293","2","","","","","","","","2","P 1","P 1","1","","","","- C29 H22 -","- C29 H22 -","- C116 H88 -","4","4","","Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling","Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene","RSC Advances","2012","2","30","11529","","10.1039/c2ra21622a","","","0.71073","MoKα","","0.113","0.0534","","","0.1026","0.1267","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238729","7.3048","0.0004","6.2025","0.0003","35.783","0.002","90","","95.732","0.005","90","","1613.15","0.15","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)","RSC Advances","2012","2","30","11379","","10.1039/c2ra21631k","","","0.71073","MoKα","","0.0726","0.0491","","","0.117","0.1314","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238730","5.5937","0.0003","42.721","0.003","8.7533","0.0006","90","","96.129","0.006","90","","2079.8","0.2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O2 S -","- C26 H20 N2 O2 S -","- C104 H80 N8 O8 S4 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)","RSC Advances","2012","2","30","11379","","10.1039/c2ra21631k","","","0.71073","MoKα","","0.0619","0.0464","","","0.1208","0.1316","","","","","","0.997","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238731","35.744","0.007","4.8494","0.0011","12.392","0.003","90","","96.97","0.02","90","","2132.1","0.8","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 O4 S -","- C26 H20 N2 O4 S -","- C104 H80 N8 O16 S4 -","4","0.5","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)","RSC Advances","2012","2","30","11379","","10.1039/c2ra21631k","","","0.71073","MoKα","","0.0778","0.053","","","0.1213","0.135","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238732","6.4795","0.0016","7.343","0.002","7.8656","0.0012","78.621","0.017","79.482","0.016","73.05","0.02","347.81","0.14","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br2 N2 O2 -","- C14 H10 Br2 N2 O2 -","- C14 H10 Br2 N2 O2 -","1","0.5","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)","RSC Advances","2012","2","30","11379","","10.1039/c2ra21631k","","","0.71073","MoKα","","0.0739","0.0621","","","0.1599","0.1714","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238733","6.0244","0.0006","46.278","0.003","9.4342","0.001","90","","129.701","0.017","90","","2023.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)","RSC Advances","2012","2","30","11379","","10.1039/c2ra21631k","","","0.71073","MoKα","","0.0889","0.0841","","","0.2193","0.2251","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238734","13.589","0.003","17.012","0.003","14.339","0.003","90","","97.84","0.03","90","","3283.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B18 H44 Na10 O79 V12 -","- B18 Na10 O79 V12 -","- B36 Na20 O158 V24 -","2","0.5","","Zhou, Jian; Liu, Xing; Hu, Feilong; Zou, Huahong; Li, Rong; Li, Xiaojuan","One novel 3-D vanadoborate with unusual 3-D Na‒O‒Na network","RSC Advances","2012","2","29","10937","","10.1039/c2ra21635c","","","0.71073","MoKα","","0.0592","0.0545","","","0.1534","0.1573","","","","","","1.185","","","","has coordinates,has disorder","244320","2020-10-21","18:00:00",""
"7238736","4.6857","0.0005","13.4725","0.0018","22.52","0.002","90","","90","","90","","1421.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","12-fluoro-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","12-fluoro-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C72 H52 F4 N8 O4 -","4","1","","Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj","Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A","RSC Advances","2012","2","33","12665","","10.1039/c2ra21734a","","","0.7107","MoKα","","0.0658","0.0447","","","0.0951","0.1073","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238737","5.1005","0.0003","12.8705","0.0007","23.9984","0.0014","90","","90.25","0.005","90","","1575.38","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","10,12-dimethyl-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","10,12-dimethyl-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj","Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A","RSC Advances","2012","2","33","12665","","10.1039/c2ra21734a","","","0.7107","MoKα","","0.0708","0.0443","","","0.1006","0.1107","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238738","6.7583","0.0003","17.8626","0.0007","10.4574","0.0005","90","","104.431","0.005","90","","1222.59","0.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","10-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","10-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","","Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj","Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A","RSC Advances","2012","2","33","12665","","10.1039/c2ra21734a","","","0.7107","MoKα","","0.0529","0.0381","","","0.0792","0.0844","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238739","12.9129","0.0005","12.3328","0.0005","19.1436","0.0009","90","","100.509","0.004","90","","2997.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3,4,4a,7,8,13b,13c-octahydro-1H-benzo[1,2]indolizino[8,7-b]indol-5(13H)-one","2,3,4,4a,7,8,13b,13c-octahydro-1H-benzo[1,2]indolizino[8,7-b]indol-5(13H)-one","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C144 H160 N16 O8 -","8","2","","Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj","Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A","RSC Advances","2012","2","33","12665","","10.1039/c2ra21734a","","","0.7107","MoKα","","0.0744","0.0451","","","0.097","0.1104","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238740","7.6018","0.0013","9.8711","0.0016","10.129","0.0017","99.173","0.002","106.817","0.002","101.998","0.002","691.8","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","13b-hydroxy-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","13b-hydroxy-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj","Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A","RSC Advances","2012","2","33","12665","","10.1039/c2ra21734a","","","0.71073","MoKα","","0.0463","0.042","","","0.1053","0.1083","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238741","15.7399","0.0015","8.8045","0.0008","24.485","0.002","90","","90","","90","","3393.2","0.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C184 H160 N16 -","8","1","","Viji, Mayavan; Nagarajan, Rajagopal","Zinc triflate catalyzed regioselective synthesis of pyrrolo[2,3-c]carbazoles via heteroannulation","RSC Advances","2012","2","28","10544","","10.1039/c2ra21735j","","","0.71073","MoKα","","0.0703","0.0597","","","0.1253","0.1306","","","","","","1.158","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238742","6.017","0.0005","8.991","0.0008","27.632","0.003","90","","90","","90","","1494.9","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl2 N2 -","- C17 H14 Cl2 N2 -","- C68 H56 Cl8 N8 -","4","1","","Viji, Mayavan; Nagarajan, Rajagopal","Zinc triflate catalyzed regioselective synthesis of pyrrolo[2,3-c]carbazoles via heteroannulation","RSC Advances","2012","2","28","10544","","10.1039/c2ra21735j","","","0.71073","MoKα","","0.0624","0.0603","","","0.159","0.1603","","","","","","1.215","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238743","14.3071","0.001","8.7477","0.0006","15.7408","0.0011","90","","95.763","0.002","90","","1960.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N5 O2 -","- C22 H21 N5 O2 -","- C88 H84 N20 O8 -","4","1","","You, Qi-Hua; Chan, Pui-Shan; Chan, Wing-Hong; Hau, Sam C. K.; Lee, Albert W. M.; Mak, N. K.; Mak, Thomas C. W.; Wong, Ricky N. S.","A quinolinyl antipyrine based fluorescence sensor for Zn2+ and its application in bioimaging","RSC Advances","2012","2","29","11078","","10.1039/c2ra21736h","","","0.71073","MoKα","","0.1047","0.0605","","","0.1492","0.1809","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238744","13.2632","0.001","13.7584","0.001","15.903","0.0012","102.994","0.001","92.461","0.001","113.432","0.001","2565.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H54 N2 O5 P2 Pd2 -","- C53 H54 N2 O5 P2 Pd2 -","- C106 H108 N4 O10 P4 Pd4 -","2","1","","Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Tyagi, Kriti; Kapdi, Anant","New phospha-palladacycles: efficient catalysts in the formylation of aryl chlorides","RSC Advances","2012","2","32","12237","","10.1039/c2ra21770h","","","0.71073","MoKα","","0.0562","0.0518","","","0.1702","0.1764","","","","","","1.082","","","","has coordinates","244325","2020-10-21","18:00:00",""
"7238746","14.215","0.013","7.397","0.007","16.759","0.015","90","","111.05","0.02","90","","1645","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Moran, Wesley J.; MacRory, Kerry L.; Rodríguez, Arantxa","Oxidative rearrangement of indoles to oxindoles","RSC Advances","2012","2","24","8962","","10.1039/c2ra21800c","","","0.71073","MoKα","","0.0743","0.0467","","","0.1201","0.1363","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238747","5.6073","0.0008","8.1748","0.0011","12.5","0.0017","103.057","0.007","90.883","0.008","96.555","0.008","554.02","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2-Amino-3-cyano-4H-chromene-4-yl)malononitrile","","- C13 H8 N4 O -","- C13 H8 N4 O -","- C26 H16 N8 O2 -","2","1","","Bhat, Subrahmanya Ishwar; Choudhury, Angshuman Roy; Trivedi, Darshak R.","Condensation of malononitrile with salicylaldehydes and o-aminobenzaldehydes revisited: solvent and catalyst free synthesis of 4H-chromenes and quinolines","RSC Advances","2012","2","28","10556","","10.1039/c2ra21849f","","","0.71073","MoKα","","0.0586","0.054","","","0.1463","0.1526","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238748","7.30775","0.0001","23.3444","0.0003","18.8151","0.0003","90","","90","","90","","3209.76","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H26 Cd O16 Zn2 -","- C27 H26 Cd O16 Zn2 -","- C108 H104 Cd4 O64 Zn8 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0311","0.027","","","0.079","0.0802","","","","","","1.098","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00",""
"7238749","7.35853","0.00019","23.5965","0.0005","18.7029","0.0004","90","","90","","90","","3247.49","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H26 Ca O16 Zn2 -","- C27 H26 Ca O16 Zn2 -","- C108 H104 Ca4 O64 Zn8 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0433","0.0393","","","0.1233","0.1263","","","","","","1.092","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00",""
"7238750","15.7091","0.0007","21.6243","0.0009","13.2974","0.0005","90","","90","","90","","4517.1","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C36 H50 Ca O19 Zn2 -","- C36 H50 Ca O19 Zn2 -","- C144 H200 Ca4 O76 Zn8 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0778","0.0539","","","0.1415","0.1596","","","","","","1.034","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00",""
"7238751","16.0781","0.0005","21.0471","0.0006","12.8084","0.0004","90","","90","","90","","4334.3","0.2","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H48 O18 Zn3 -","- C36 H48 O18 Zn3 -","- C144 H192 O72 Zn12 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0696","0.0577","","","0.1454","0.1547","","","","","","1.088","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00",""
"7238752","9.105","0.014","12.4","0.02","12.57","0.02","100.78","0.04","96","0.03","94.43","0.04","1380","4","200.1","","343","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Br2 Cu2 N8 -","- C26 Br2 Cu2 N8 -","- C52 Br4 Cu4 N16 -","2","1","","Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S.","Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system","RSC Advances","2012","2","32","12169","","10.1039/c2ra21865h","","","0.7107","MoKα","","","0.3495","","","","0.6973","","","","","","1.476","","","","has coordinates","244330","2020-10-21","18:00:00",""
"7238753","9.9","0.004","11.605","0.004","12.558","0.005","104.791","0.01","89.286","0.009","97.093","0.01","1384","0.9","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Br2 Cu2 N8 O3 -","- C26 H18 Br2 Cu2 N8 O3 -","- C52 H36 Br4 Cu4 N16 O6 -","2","1","","Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S.","Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system","RSC Advances","2012","2","32","12169","","10.1039/c2ra21865h","","","0.7107","MoKα","","","0.0352","","","","0.0941","","","","","","0.999","","","","has coordinates","244330","2020-10-21","18:00:00",""
"7238754","10.17","0.05","11.52","0.06","11.77","0.05","77.82","0.06","86.94","0.06","85.43","0.08","1343","11","200.1","","323","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Br2 Cu2 N8 O2 -","- C26 Br2 Cu2 N8 O2 -","- C52 Br4 Cu4 N16 O4 -","2","1","","Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S.","Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system","RSC Advances","2012","2","32","12169","","10.1039/c2ra21865h","","","0.71075","MoKα","","","0.1718","","","","0.4726","","","","","","1.127","","","","has coordinates","244330","2020-10-21","18:00:00",""
"7238755","6.382","0.002","10.275","0.004","18.954","0.007","90","","93.034","0.004","90","","1241.2","0.8","200.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br2 Cu2 N8 -","- C26 H18 Br2 Cu2 N8 -","- C52 H36 Br4 Cu4 N16 -","2","0.5","","Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S.","Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system","RSC Advances","2012","2","32","12169","","10.1039/c2ra21865h","","","0.7107","MoKα","","","0.022","","","","0.0609","","","","","","1.018","","","","has coordinates","244330","2020-10-21","18:00:00",""
"7238756","20.4426","0.0045","7.457","0.0017","13.7891","0.003","90","","108.579","0.003","90","","1992.5","0.8","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O S2 -","- C25 H21 N O S2 -","- C100 H84 N4 O4 S8 -","4","1","","Karak, Debasis; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Hauli, Ipsit; Mukhopadhyay, Subhra Kanti; Sanmartín Matalobos, Jesús; Das, Debasis","Interaction of soft donor sites with a hard metal ion: crystallographically characterized blue emitting fluorescent probe for Al(iii) with cell staining studies","RSC Advances","2012","2","32","12447","","10.1039/c2ra21911e","","x-ray","0.7107","MoKα","","0.0824","0.0457","","","0.0936","0.1081","","","","","","0.974","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238758","4.95296","0.00011","13.05589","0.0003","19.7444","0.0005","90","","93.6514","0.0024","90","","1274.19","0.05","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","al benezenediphos","","","- C3 Al F O5 P -","- C3 Al F O5 P -","- C24 Al8 F8 O40 P8 -","8","1","","Attfield, Martin P.; Mendieta-Tan, Carlos; Telchadder, Ryan N.; Roberts, Mark A.","Synthesis, crystal structure and properties of a novel framework aluminium diphosphonate","RSC Advances","2012","2","27","10291","","10.1039/c2ra21930a","powder diffraction","x-ray","1","synchrotron","","","","","","","","0.20592","","2.83","","","","","","","has coordinates","244333","2020-10-21","18:00:00",""
"7238759","12.2026","0.001","15.5375","0.0013","20.834","0.002","90","","90.456","0.008","90","","3950","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 B Cl3 F2 Fe2 N2 -","- C44 H36 B Cl3 F2 Fe2 N2 -","- C176 H144 B4 Cl12 F8 Fe8 N8 -","4","1","","Gautam, Prabhat; Dhokale, Bhausaheb; Mobin, Shaikh M.; Misra, Rajneesh","Ferrocenyl BODIPYs: synthesis, structure and properties","RSC Advances","2012","2","32","12105","","10.1039/c2ra21964f","","","0.71073","MoKα","","0.1026","0.0826","","","0.2261","0.2555","","","","","","1.07","","","","has coordinates","244334","2020-10-21","18:00:00",""
"7238760","29.777","0.003","11.2969","0.0006","14.2126","0.001","90","","117.784","0.01","90","","4229.8","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H43 B F2 Fe2 N2 -","- C55 H43 B F2 Fe2 N2 -","- C220 H172 B4 F8 Fe8 N8 -","4","0.5","","Gautam, Prabhat; Dhokale, Bhausaheb; Mobin, Shaikh M.; Misra, Rajneesh","Ferrocenyl BODIPYs: synthesis, structure and properties","RSC Advances","2012","2","32","12105","","10.1039/c2ra21964f","","","0.71073","MoKα","","0.0841","0.0529","","","0.1381","0.1649","","","","","","1.059","","","","has coordinates","244334","2020-10-21","18:00:00",""
"7238761","6.0659","0.0002","15.5656","0.0006","12.9608","0.0005","90","","99.791","0.003","90","","1205.93","0.08","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Cl2 N O5 S -","- C23 H27 Cl2 N O5 S -","- C46 H54 Cl4 N2 O10 S2 -","2","1","","Flores, MariFe; García-García, Pilar; Garrido, Narciso M.; Marcos, Isidro S.; Sanz, Francisca; Díez, David","From isoxazolidines to tetrahydro-1,3-oxazines for the synthesis of chiral pyrrolidines","RSC Advances","2012","2","29","11040","","10.1039/c2ra22110a","","","1.54178","CuKα","","0.0403","0.0379","","","0.1017","0.1042","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238763","36.82","0.005","36.82","0.005","45.036","0.009","90","","90","","120","","52876","15","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C120 H90 Co6.5 N3 O29 -","- C120 H88.3333 Co6.5 N3 O29 -","- C2160 H1590 Co117 N54 O522 -","18","1","","Yoon, Jung Hee; Kim, Dongwook; Song, Xiaokai; Han, Seungwan; Shin, Jiho; Hong, Suk Bong; Lah, Myoung Soo","Microporous metal‒organic framework containing cages with adjustable portal dimensions for adsorptive CO2 separation","RSC Advances","2012","2","30","11566","","10.1039/c2ra22118g","","","0.71073","MoKα","","0.0807","0.0645","","","0.1482","0.1542","","","","","","1.047","","","","has coordinates,has disorder","244337","2020-10-21","18:00:00",""
"7238766","10.7896","0.0012","11.7019","0.0013","11.8546","0.0014","107.733","0.002","96.492","0.002","116.338","0.002","1222.4","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H23 Au F3 O4 P S -","- C22 H23 Au F3 O4 P S -","- C44 H46 Au2 F6 O8 P2 S2 -","2","1","","Tang, Yu; Yu, Biao","Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions","RSC Advances","2012","2","33","12686","","10.1039/c2ra22282e","","","0.71073","MoKα","","0.0662","0.0557","","","0.1454","0.1532","","","","","","1.19","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238767","20.4779","0.0015","20.4779","0.0015","34.934","0.003","90","","90","","90","","14649","2","133","2","133","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C74 H60 Au4 F6 O8 P4 S2 -","- C74 H60 Au4 F6 O8 P4 S2 -","- C592 H480 Au32 F48 O64 P32 S16 -","8","0.5","","Tang, Yu; Yu, Biao","Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions","RSC Advances","2012","2","33","12686","","10.1039/c2ra22282e","","","0.71073","MoKα","","0.0843","0.0547","","","0.1462","0.1713","","","","","","1.057","","","","has coordinates,has disorder","244339","2020-10-21","18:00:00",""
"7238768","11.7057","0.0009","13.5981","0.0011","23.7768","0.0019","81.71","0.001","82.215","0.001","73.729","0.001","3577.1","0.5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H62 Au4 F6 O8 P4 S2 -","- C74 H62 Au4 F6 O8 P4 S2 -","- C148 H124 Au8 F12 O16 P8 S4 -","2","1","","Tang, Yu; Yu, Biao","Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions","RSC Advances","2012","2","33","12686","","10.1039/c2ra22282e","","","0.71073","MoKα","","0.0411","0.0313","","","0.0692","0.0727","","","","","","0.948","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238769","12.66","0.0013","14.4505","0.0015","16.2267","0.0017","64.226","0.002","81.66","0.002","89.732","0.002","2639.3","0.5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C110 H94 Au6 F6 O10 P6 S2 -","- C110 H94 Au6 F6 O10 P6 S2 -","- C110 H94 Au6 F6 O10 P6 S2 -","1","0.5","","Tang, Yu; Yu, Biao","Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions","RSC Advances","2012","2","33","12686","","10.1039/c2ra22282e","","","0.71073","MoKα","","0.0531","0.035","","","0.0843","0.1007","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238770","12.7852","0.0016","14.6023","0.0019","16.363","0.002","64.009","0.003","81.587","0.003","88.896","0.003","2712.9","0.6","","","","","","","","","","","","8","P -1","-P 1","2","","","","- C111 H92 Au6 Cl2 F6 O8 P6 S2 -","- C111 H92 Au6 Cl2 F6 O8 P6 S2 -","- C111 H92 Au6 Cl2 F6 O8 P6 S2 -","1","0.5","","Tang, Yu; Yu, Biao","Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions","RSC Advances","2012","2","33","12686","","10.1039/c2ra22282e","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","244339","2020-10-21","18:00:00",""
"7238774","12.9514","0.0004","14.2719","0.0005","25.9721","0.0009","87.967","0.003","86.878","0.003","67.322","0.003","4422.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H115 N8 O38 P S6 -","- C74 H83 N8 O38 P S6 -","- C148 H166 N16 O76 P2 S12 -","2","1","","Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu","The recognition of 1,5-naphthalenedisulfonate by a protonated azamacrocyclic ligand","RSC Advances","2012","2","33","12728","","10.1039/c2ra22423b","","","1.54178","CuKα","","0.0857","0.0641","","","0.1802","0.2017","","","","","","1.032","","","","has coordinates,has disorder","244343","2020-10-21","18:00:00",""
"7238775","13.3839","0.0007","22.0863","0.0013","11.7496","0.0005","90","","95.793","0.004","90","","3455.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H82 N6 O24 S6 -","- C70 H82 N6 O24 S6 -","- C140 H164 N12 O48 S12 -","2","0.5","","Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu","The recognition of 1,5-naphthalenedisulfonate by a protonated azamacrocyclic ligand","RSC Advances","2012","2","33","12728","","10.1039/c2ra22423b","","","1.54178","CuKα","","0.0751","0.0616","","","0.1648","0.181","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238778","8.17","0.002","7.029","0.002","22.066","0.004","90","","97.99","0.02","90","","1254.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O6 S -","- C12 H14 O6 S -","- C48 H56 O24 S4 -","4","1","","Markoulides, Marios S.; Ioannou, Charalambos P.; Manos, Manolis J.; Chronakis, Nikos","Quantitative preparation of 3,4-di(methylene)tetrahydrothiophene-1,1-dioxide by Zn-induced 1,4-debromination. A valuable 6-C reactive diene in [4+2] cycloadditions with DMAD and [60]fullerene","RSC Advances","2012","2","32","12269","","10.1039/c2ra22502f","","","0.71073","MoKα","","0.119","0.0802","","","0.1921","0.2191","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238779","9.33","0.005","9.624","0.005","12.48","0.005","70.661","0.005","73.733","0.005","63.117","0.005","931.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Br2 O2 S -","- C6 H8 Br2 O2 S -","- C24 H32 Br8 O8 S4 -","4","2","","Markoulides, Marios S.; Ioannou, Charalambos P.; Manos, Manolis J.; Chronakis, Nikos","Quantitative preparation of 3,4-di(methylene)tetrahydrothiophene-1,1-dioxide by Zn-induced 1,4-debromination. A valuable 6-C reactive diene in [4+2] cycloadditions with DMAD and [60]fullerene","RSC Advances","2012","2","32","12269","","10.1039/c2ra22502f","","","0.71073","MoKα","","0.0508","0.038","","","0.0714","0.0785","","","","","","0.966","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238780","14.7198","0.0007","19.2788","0.0009","20.2209","0.001","113.4","0.001","106.96","0.001","100.281","0.001","4745.7","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H116 Cu18 N41 O50 -","- C132 H116 Cu18 N41 O50 -","- C132 H116 Cu18 N41 O50 -","1","0.5","","Wu, Jin-Ji; Cao, Man-Li; Zhang, Jian-Yong; Ye, Bao-Hui","A nanocomposite gel based on 1D coordination polymers and nanoclusters reversibly gelate water upon heating","RSC Advances","2012","2","33","12718","","10.1039/c2ra22549b","","","0.71073","MoKα","","0.0561","0.045","","","0.1243","0.1307","","","","","","1","","","","has coordinates,has disorder","244347","2020-10-21","18:00:00",""
"7239549","15.0473","0.0008","18.1959","0.001","10.7775","0.0006","90","","90","","90","","2950.9","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H44 N2 O6 -","- C32 H44 N2 O6 -","- C128 H176 N8 O24 -","4","0.5","","Viterisi, Aurélien; Montcada, Núria F.; Kumar, Challuri Vijay; Gispert-Guirado, Francesc; Martin, Eddy; Escudero, Eduardo; Palomares, Emilio","Unambiguous determination of molecular packing in crystalline donor domains of small molecule solution processed solar cell devices using routine X-ray diffraction techniques","Journal of Materials Chemistry A","2014","2","10","3536","","10.1039/c3ta13116e","","","0.71073","MoKα","","0.0569","0.0417","","","0.1125","0.1228","","","","","","1.066","","","","has coordinates,has disorder","244764","2020-10-21","18:00:00",""
"7239550","12.949","0.005","13.869","0.005","27.972","0.005","104.315","0.005","98.301","0.005","94.349","0.005","4784","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H34 Eu4 N2 O34 -","- C66 H34 Eu4 N2 O34 -","- C132 H68 Eu8 N4 O68 -","2","1","","Hao, Zhaomin; Yang, Guocheng; Song, Xuezhi; Zhu, Min; Meng, Xing; Zhao, Shuna; Song, Shuyan; Zhang, Hongjie","A europium(iii) based metal‒organic framework: bifunctional properties related to sensing and electronic conductivity","J. Mater. Chem. A","2014","2","1","237","","10.1039/C3TA13179C","","","0.71069","MoKα","","0.0323","0.0275","","","0.0723","0.0744","","","","","","1.055","","","","has coordinates","244765","2020-10-21","18:00:00",""
"7239556","25.7369","0.0005","25.7369","0.0005","61.601","0.002","90","","90","","120","","35337.1","1.5","113","2","113","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C402 H338 Cd17 N2 O116 -","- C401.94 H337.86 Cd17 N1.98 O115.98 -","- C1205.82 H1013.58 Cd51 N5.94 O347.94 -","3","0.166667","","Tian, Dan; Li, Yue; Chen, Rong-Ying; Chang, Ze; Wang, Guan-Yao; Bu, Xian-He","A luminescent metal‒organic framework demonstrating ideal detection ability for nitroaromatic explosives","J. Mater. Chem. A","2014","2","5","1465","","10.1039/C3TA13983B","","","0.71073","MoKα","","0.0539","0.0492","","","0.1254","0.1278","","","","","","1.026","","","","has coordinates,has disorder","244768","2020-10-21","18:00:00",""
"7239558","10.217","0.002","10.362","0.002","18.118","0.004","102.53","0.03","99.35","0.03","93.79","0.03","1837.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H41 Cd N5 O14 -","- C31 H41 Cd N5 O14 -","- C62 H82 Cd2 N10 O28 -","2","1","","Wang, Guan-Yao; Song, Chan; Kong, De-Ming; Ruan, Wen-Juan; Chang, Ze; Li, Yue","Two luminescent metal‒organic frameworks for the sensing of nitroaromatic explosives and DNA strands","J. Mater. Chem. A","2014","2","7","2213","","10.1039/C3TA14199C","","","0.71073","MoKα","","0.0963","0.0706","","","0.1494","0.1599","","","","","","1.098","","","","has coordinates","244770","2020-10-21","18:00:00",""
"7239559","10.004","0.002","10.293","0.002","17.914","0.004","103.66","0.03","99.58","0.03","93.45","0.03","1757.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H41 N5 O14 Zn -","- C31 H41 N5 O14 Zn -","- C62 H82 N10 O28 Zn2 -","2","1","","Wang, Guan-Yao; Song, Chan; Kong, De-Ming; Ruan, Wen-Juan; Chang, Ze; Li, Yue","Two luminescent metal‒organic frameworks for the sensing of nitroaromatic explosives and DNA strands","J. Mater. Chem. A","2014","2","7","2213","","10.1039/C3TA14199C","","","0.71073","MoKα","","0.109","0.0678","","","0.1302","0.1461","","","","","","1.069","","","","has coordinates","244770","2020-10-21","18:00:00",""
"7239560","18.4819","0.0003","18.4819","0.0003","34.4495","0.0005","90","","90","","120","","10190.8","0.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C31 H22 Cu2 O10 -","- C31 H10 Cu2 O10 -","- C186 H60 Cu12 O60 -","6","0.25","","Duan, Xing; Zhang, Qi; Cai, Jianfeng; Yang, Yu; Cui, Yuanjin; He, Yabing; Wu, Chuande; Krishna, Rajamani; Chen, Banglin; Qian, Guodong","A new metal‒organic framework with potential for adsorptive separation of methane from carbon dioxide, acetylene, ethylene, and ethane established by simulated breakthrough experiments","Journal of Materials Chemistry A","2014","2","8","2628","","10.1039/c3ta14454b","","","1.54178","CuKα","","0.0721","0.0599","","","0.1569","0.1636","","","","","","1.07","","","","has coordinates,has disorder","244771","2020-10-21","18:00:00",""
"7239561","12.9088","0.001","12.2522","0.001","23.79","0.002","90","","90.379","0.004","90","","3762.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Al Cl7 Mg2 O6 -","- C24 H48 Al Cl7 Mg2 O6 -","- C96 H192 Al4 Cl28 Mg8 O24 -","4","1","","Liu, Tianbiao; Shao, Yuyan; Li, Guosheng; Gu, Meng; Hu, Jianzhi; Xu, Suochang; Nie, Zimin; Chen, Xilin; Wang, Chongmin; Liu, Jun","A facile approach using MgCl2 to formulate high performance Mg2+ electrolytes for rechargeable Mg batteries","Journal of Materials Chemistry A","2014","2","10","3430","","10.1039/c3ta14825d","","","0.71073","MoKα","","0.1559","0.1226","","","0.3168","0.3362","","","","","","1.549","","","","has coordinates,has disorder","244772","2020-10-21","18:00:00",""
"7239562","11.7192","0.0012","14.7431","0.0014","15.6936","0.0016","101.118","0.003","105.884","0.003","109.517","0.003","2334.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H63 Al Cl4 Mg2 O6 -","- C42 H63 Al Cl4 Mg2 O6 -","- C84 H126 Al2 Cl8 Mg4 O12 -","2","1","","Liu, Tianbiao; Shao, Yuyan; Li, Guosheng; Gu, Meng; Hu, Jianzhi; Xu, Suochang; Nie, Zimin; Chen, Xilin; Wang, Chongmin; Liu, Jun","A facile approach using MgCl2 to formulate high performance Mg2+ electrolytes for rechargeable Mg batteries","Journal of Materials Chemistry A","2014","2","10","3430","","10.1039/c3ta14825d","","","0.71073","MoKα","","0.0743","0.0685","","","0.1972","0.2052","","","","","","1.375","","","","has coordinates","244772","2020-10-21","18:00:00",""
"7239563","13.019","0.003","15.518","0.003","14.001","0.003","90","","110.76","0.03","90","","2645","1.1","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-methyl-N-propylpiperidinium hexafluorophosphate","1-methyl-1-propylpiperidinium hexafluorophosphate","","- C9 H20 F6 N P -","- C9 H20 F6.039 N P -","- C72 H160 F48.312 N8 P8 -","8","2","","Murugesan, Sankaran; Quintero, Oliver A.; Chou, Brendan P.; Xiao, Penghao; Park, Kyusung; Hall, Justin W.; Jones, Richard A.; Henkelman, Graeme; Goodenough, John B.; Stevenson, Keith J.","Wide electrochemical window ionic salt for use in electropositive metal electrodeposition and solid state Li-ion batteries","J. Mater. Chem. A","2014","2","7","2194","","10.1039/C3TA15010K","","x-ray","0.710747","MoKα","","0.0642","0.0482","","","0.1128","0.1218","","","","","","1.099","","","","has coordinates,has disorder","244773","2020-10-21","18:00:00",""
"7239564","11.0318","0.0017","10.0035","0.0015","22.999","0.003","90","","90","","90","","2538.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-dinitro-N1-(2,2,2-trinitroethyl)-1H-pyrazole-1,4-diamine","","- C5 H5 N9 O10 -","- C5 H5 N9 O10 -","- C40 H40 N72 O80 -","8","1","","Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M.","Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers","Journal of Materials Chemistry A","2014","2","9","3200","","10.1039/c3ta15057g","","","0.71073","MoKα","","0.0441","0.0351","","","0.084","0.0882","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239565","18.9685","0.0007","7.7374","0.0003","27.7321","0.001","90","","91.248","0.001","90","","4069.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-azido-3,4-dinitro-N-(2,2,2-trinitroethyl)-1H-pyrazol-1-amine","","- C5 H3 N11 O10 -","- C5 H3 N11 O10 -","- C60 H36 N132 O120 -","12","3","","Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M.","Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers","Journal of Materials Chemistry A","2014","2","9","3200","","10.1039/c3ta15057g","","","0.71073","MoKα","","0.0599","0.0373","","","0.0822","0.0919","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239566","12.7023","0.0012","8.0688","0.0008","13.0694","0.0012","90","","90","","90","","1339.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,4-dinitro-1H-pyrazole-1,5-diamine","","- C3 H4 N6 O4 -","- C3 H4 N6 O4 -","- C24 H32 N48 O32 -","8","1","","Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M.","Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers","Journal of Materials Chemistry A","2014","2","9","3200","","10.1039/c3ta15057g","","","0.71073","MoKα","","0.028","0.0265","","","0.0689","0.0703","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239567","6.944","0.002","11.434","0.004","15.743","0.006","90","","90","","90","","1250","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 I N -","- C12 H16 I N -","- C48 H64 I4 N4 -","4","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0164","0.0151","","","0.0378","0.0385","","","","","","0.623","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239568","7.4137","0.0005","13.643","0.0012","29.756","0.003","90","","90","","90","","3009.7","0.5","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 I N O2 -","- C14 H18 I N O2 -","- C112 H144 I8 N8 O16 -","8","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.1289","0.0486","","","0.069","0.0845","","","","","","0.858","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239569","7.2314","0.0002","9.476","0.0003","11.6165","0.0004","82.094","0.002","82.082","0.002","78.631","0.002","767.95","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71073","MoKα","","0.0673","0.0542","","","0.1154","0.1243","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239570","8.81","0.004","12.003","0.005","17.977","0.008","82.678","0.014","86.66","0.017","74.635","0.014","1817.5","1.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N Na O4.5 -","- C17 H18 N Na O4.5 -","- C68 H72 N4 Na4 O18 -","4","2","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0986","0.0751","","","0.2271","0.2457","","","","","","1.085","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239571","8.6755","0.0007","10.3795","0.0008","35.24","0.003","92.172","0.002","91.37","0.002","99.956","0.003","3121.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H49 N Na O4.5 -","- C32 H49 N Na O4.5 -","- C128 H196 N4 Na4 O18 -","4","2","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71073","MoKα","","0.1133","0.0958","","","0.2295","0.2473","","","","","","1.171","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7239572","15.3349","0.0003","7.5158","0.0002","13.7564","0.0002","90","","92.545","0.001","90","","1583.92","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 I N -","- C17 H20 I N -","- C68 H80 I4 N4 -","4","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71073","MoKα","","0.0243","0.0217","","","0.0507","0.0528","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239573","19.2363","0.0014","10.283","0.0007","29.048","0.002","90","","92.704","0.002","90","","5739.5","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H43 N O3 -","- C33 H43 N O3 -","- C264 H344 N8 O24 -","8","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0505","0.0401","","","0.1025","0.1077","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239574","9.802","0.013","9.8259","0.001","15.69","0.02","83.509","0.01","89.4","0.09","66.4","0.06","1375","3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H41 N O3 -","- C32 H41 N O3 -","- C64 H82 N2 O6 -","2","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.1169","0.0848","","","0.1943","0.2128","","","","","","1.113","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239575","11.9454","0.0011","12.4652","0.0011","24.378","0.002","90.54","0.02","101.5","0.02","118.1","0.03","3115.3","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N3 Na O3.5 -","- C34 H38 N3 Na O3.5 -","- C136 H152 N12 Na4 O14 -","4","2","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.6889","synchrotron","","0.3242","0.1277","","","0.3028","0.4276","","","","","","0.993","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239576","7.53","0.002","13.635","0.003","34.164","0.008","90","","90","","90","","3507.7","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 I N O2 -","- C18 H20 I N O2 -","- C144 H160 I8 N8 O16 -","8","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0717","0.0595","","","0.0856","0.0896","","","","","","1.233","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239577","12.7035","0.0009","18.2291","0.0013","11.1693","0.0008","90","","111.529","0.002","90","","2406.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0593","0.0406","","","0.1051","0.1137","","","","","","0.975","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239578","10.8885","0.0008","17.307","0.0011","27.892","0.002","78.372","0.003","80.234","0.003","77.874","0.003","4988.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H130 N4 O20 -","- C104 H130 N4 O20 -","- C208 H260 N8 O40 -","2","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.1697","0.1066","","","0.2603","0.3071","","","","","","0.965","","","","has coordinates,has disorder","244775","2020-10-21","18:00:00",""
"7239582","20.9534","0.0017","15.4403","0.0012","29.153","0.002","90","","96.57","0.002","90","","9369.8","1.2","100","0.1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H50 Cl2.5 N4 O8.5 Ru2 -","- C45.5 H46 Cl2.5 N4 O9 Ru2 -","- C364 H368 Cl20 N32 O72 Ru16 -","8","2","","Rojas, S.; Quartapelle-Procopio, E.; Carmona, F. J.; Romero, M. A.; Navarro, J. A. R.; Barea, E.","Biophysical characterisation, antitumor activity and MOF encapsulation of a half-sandwich ruthenium(ii) mitoxantronato system","J. Mater. Chem. B","2014","2","17","2473","","10.1039/C3TB21455A","","","0.71073","MoKα","","0.1666","0.0908","","","0.2134","0.2766","","","","","","1.039","","","","has coordinates","244778","2020-10-21","18:00:00",""
"7239583","11.7757","0.0005","11.5358","0.0005","16.1129","0.0007","90","","94.112","0.002","90","","2183.18","0.16","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Br N3 O2 S -","- C20 H30 Br N3 O2 S -","- C80 H120 Br4 N12 O8 S4 -","4","1","","Porosa, Lukasz M.; Mistry, Kamlesh B.; Mocella, Amanda; Deng, Hellen; Hamzehi, Shayan; Caschera, Alex; Lough, Alan J.; Wolfaardt, Gideon; Foucher, Daniel A.","Synthesis, structures and properties of self-assembling quaternary ammonium dansyl fluorescent tags for porous and non-porous surfaces","J. Mater. Chem. B","2014","2","11","1509","","10.1039/C3TB21633K","","","1.54178","CuKα","","0.0282","0.0248","","","0.0632","0.0652","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239584","10.5518","0.0003","12.7906","0.0003","13.4228","0.0004","90","","101.582","0.0013","90","","1774.71","0.08","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N3 O2 S -","- C17 H25 N3 O2 S -","- C68 H100 N12 O8 S4 -","4","1","","Porosa, Lukasz M.; Mistry, Kamlesh B.; Mocella, Amanda; Deng, Hellen; Hamzehi, Shayan; Caschera, Alex; Lough, Alan J.; Wolfaardt, Gideon; Foucher, Daniel A.","Synthesis, structures and properties of self-assembling quaternary ammonium dansyl fluorescent tags for porous and non-porous surfaces","J. Mater. Chem. B","2014","2","11","1509","","10.1039/C3TB21633K","","","0.71073","MoKα","","0.0938","0.0551","","","0.1321","0.1567","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:36",""
"8000074","5.9686","0.0001","13.7161","0.0004","22.6208","0.0006","90","","90","","90","","1851.87","0.08","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H16 O2 S2 -","- C23 H16 O2 S2 -","- C92 H64 O8 S8 -","4","0.5","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0571","0.0433","","","0.1125","0.1212","","","","","","1.06","","","","has coordinates","301880","2025-08-22","23:45:40",""
"8000075","16.9741","0.0004","6.496","0.0002","7.1152","0.0002","90","","91.0088","0.0013","90","","784.43","0.04","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H12 O S2 -","- C21 H12 O S2 -","- C42 H24 O2 S4 -","2","0.5","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0315","0.0292","","","0.0769","0.0786","","","","","","1.067","","","","has coordinates","301880","2025-08-22","23:45:40",""
"8000076","14.8678","0.0004","7.5297","0.0001","16.9934","0.0005","90","","95.7169","0.0012","90","","1892.95","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 N2 S2 -","- C24 H12 N2 S2 -","- C96 H48 N8 S8 -","4","1","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0531","0.0368","","","0.0848","0.0933","","","","","","1.027","","","","has coordinates","301880","2025-08-22","23:45:40",""
"8000077","8.8519","0.0002","9.6987","0.0002","13.1288","0.0003","70.3916","0.001","78.2754","0.0013","82.4345","0.0013","1037.15","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H6 F10 O2 S2 -","- C23 H6 F10 O2 S2 -","- C46 H12 F20 O4 S4 -","2","1","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0751","0.066","","","0.188","0.1919","","","","","","1.137","","","","has coordinates","301880","2025-08-22","23:45:40",""
"8000078","16.8693","0.0005","7.6992","0.0002","32.7451","0.0009","90","","96.783","0.0012","90","","4223.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H2 F10 N2 S2 -","- C24 H2 F10 N2 S2 -","- C192 H16 F80 N16 S16 -","8","2","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.1085","0.0523","","","0.0883","0.1035","","","","","","1.004","","","","has coordinates","301880","2025-08-22","23:45:40",""
"8000079","8.3262","0.0003","9.9514","0.0004","12.7866","0.0005","112.274","0.002","99.195","0.002","91.288","0.003","963.8","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H11 F5 O2 S2 -","- C23 H11 F5 O2 S2 -","- C46 H22 F10 O4 S4 -","2","1","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0598","0.0386","","","0.0893","0.0988","","","","","","1.095","","","","has coordinates","301880","2025-08-22","23:45:40",""
"8000080","6.2952","0.0013","13.29","0.003","17.297","0.004","90","","101.4","0.03","90","","1418.6","0.6","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C33 H30 F6 N2 -","- C33 H30 F6 N2 -","- C66 H60 F12 N4 -","2","1","","Dou, Chuandong; Han, Liang; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue","Multi-Stimuli-Responsive Fluorescence Switching of a Donor−Acceptor π-Conjugated Compound","The Journal of Physical Chemistry Letters","2011","2","6","666","","10.1021/jz200140c","","","0.71073","MoKα","","0.2184","0.0909","","","0.2118","0.2745","","","","","","0.993","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000081","10.6905","0.0004","10.6905","0.0004","12.9823","0.0004","90","","90","","90","","1483.71","0.09","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H15 N4 O6 -","- C13 H15 N4 O6 -","- C52 H60 N16 O24 -","4","1","","Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji","An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals","The Journal of Physical Chemistry Letters","2011","2","24","3036","","10.1021/jz2014105","","","1.54178","CuKα","","0.0388","0.0384","","","0.0898","0.0905","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8000082","10.6835","0.0003","10.6835","0.0003","12.9899","0.0004","90","","90","","90","","1482.63","0.07","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H15 N4 O6 -","- C13 H15 N4 O6 -","- C52 H60 N16 O24 -","4","1","","Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji","An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals","The Journal of Physical Chemistry Letters","2011","2","24","3036","","10.1021/jz2014105","","","1.54178","CuKα","","0.0432","0.0417","","","0.096","0.0976","","","","","","1.141","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000083","5.2307","0.0001","9.6701","0.0002","15.5374","0.0003","90","","98.565","0.002","90","","777.14","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","","Tang, Kuo-Chun; Chen, Chyi-Lin; Chuang, Hsiao-Han; Chen, Jien-Lian; Chen, Yi-Ju; Lin, Yi-Chih; Shen, Jiun-Yi; Hu, Wei-Ping; Chou, Pi-Tai","A Genuine Intramolecular Proton Relay System Undergoing Excited-State Double Proton Transfer Reaction","The Journal of Physical Chemistry Letters","2011","2","24","3063","","10.1021/jz201439w","","","1.54178","CuKα","","0.045","0.0413","","","0.1099","0.1145","","","","","","1.072","","","","has coordinates","301880","2025-08-22","23:45:40",""
"9000000","9.5642","","18.393","","5.3388","","90","","101.892","","90","","919.015","","","","","","","","","","","","Wabush iron formation, Labrador, Canada","6","C 1 2/m 1","-C 2y","12","","","Grunerite","- F0.5 Fe6.1 H1.5 Mg0.9 O23.5 Si8 -","- F0.5 Fe6.1 H1.5 Mg0.9 O23.5 Si8 -","- F Fe12.2 H3 Mg1.8 O47 Si16 -","2","0.25","","Finger, L. W.","The crystal structure and cation distribution of a grunerite","Mineralogical Society of America Special Paper","1969","2","","95","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:15",""
"9005017","4.9137","","4.9137","","5.4047","","90","","90","","120","","113.011","","","","298","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 298 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005018","4.9209","","4.9209","","5.4091","","90","","90","","120","","113.434","","","","398","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 398 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005019","4.9297","","4.9297","","5.4151","","90","","90","","120","","113.967","","","","498","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 498 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005020","4.9384","","4.9384","","5.4213","","90","","90","","120","","114.5","","","","597","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 597 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005021","4.9509","","4.9509","","5.4285","","90","","90","","120","","115.234","","","","697","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 697 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005022","4.9628","","4.9628","","5.436","","90","","90","","120","","115.948","","","","773","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 773 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005023","4.9728","","4.9728","","5.4425","","90","","90","","120","","116.555","","","","813","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 813 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005024","4.9841","","4.9841","","5.45","","90","","90","","120","","117.247","","","","838","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 838 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005025","4.9965","","4.9965","","5.457","","90","","90","","120","","117.982","","","","848","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 848 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005026","4.9968","","4.9968","","5.4576","","90","","90","","120","","118.009","","","","854","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 854 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005027","4.9973","","4.9973","","5.4572","","90","","90","","120","","118.024","","","","859","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 859 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005028","4.9971","","4.9971","","5.4574","","90","","90","","120","","118.019","","","","869","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 869 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005029","4.9972","","4.9972","","5.4569","","90","","90","","120","","118.013","","","","891","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 891 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005030","4.9972","","4.9972","","5.4571","","90","","90","","120","","118.017","","","","920","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 920 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005031","4.9977","","4.9977","","5.4564","","90","","90","","120","","118.026","","","","972","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 972 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005032","4.9964","","4.9964","","5.4543","","90","","90","","120","","117.919","","","","1012","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 1012 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005033","4.9965","","4.9965","","5.4546","","90","","90","","120","","117.93","","","","1078","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 1078 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005034","10.439","","10.439","","21.091","","90","","90","","120","","1990.42","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Senaite","- Fe8.558 O38 Pb0.508 Ti10.944 U0.466 -","- Fe8.558 O38 Pb0.508 Ti10.944 U0.466 -","- Fe25.674 O114 Pb1.524 Ti32.832 U1.398 -","3","0.166667","","Armbruster, T.; Kunz, M.","Cation arrangement in a unusual uranium-rich senaite: crystal structure study at 130 K","European Journal of Mineralogy","1990","2","","163","170","10.1127/ejm/2/2/0163","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005035","10.1173","","10.4446","","7.2555","","90","","90.039","","90","","766.697","","","","","","","","","","","","Burpalinskii massif, North Transbajkal, USSR","6","P 1 21/a 1","-P 2yab","14","","","Burpalite","- Ca F2 Na2 O7 Si2 Zr -","- Ca F2 Na2 O7 Si2 Zr -","- Ca4 F8 Na8 O28 Si8 Zr4 -","4","1","","Merlino, S.; Perchiazzi, N.; Khomyakov, A. P.; Pushcharovsky, D. Y.; Kulikova, I. M.; Kuzmin, V. I.","Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR: its crystal structure and OD character","European Journal of Mineralogy","1990","2","","177","185","10.1127/ejm/2/2/0177","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005036","18.625","","7.508","","10.247","","90","","108.056","","90","","1362.34","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Dachiardite","- C1.02 H14 Al2.84 O14.92 Si5.16 -","- C1.02 H5.84 Al2.84 O14.92 Si5.16 -","- C4.08 H23.36 Al11.36 O59.68 Si20.64 -","4","0.5","","Quartieri S; Vezzalini G; Alberti A","Dachiardite from Hokiya-dake: evidence of a new topology Locality: Hokiya-dake, Japan","European Journal of Mineralogy","1990","2","","187","193","10.1127/ejm/2/2/0187","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005037","10.428","","10.807","","8.925","","105.91","","96.13","","124.8","","748.853","","","","","","","","","","","","volcanic breccias of Scharnhausen","8","P -1","-P 1","2","","","Rhonite","- Al3 Ca1.93 Fe1.705 Mg3.295 Na0.07 O20 Si3 Ti -","- Al3 Ca1.93 Fe1.705 Mg3.295 Na0.07 O20 Si3 Ti -","- Al6 Ca3.86 Fe3.41 Mg6.59 Na0.14 O40 Si6 Ti2 -","2","1","","Bonaccorsi, E.; Merlino, S.; Pasero, M.","Rhonite: structural and microstructural features, crystal chemistry and polysomatic relationships","European Journal of Mineralogy","1990","2","","203","218","10.1127/ejm/2/2/0203","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005038","10.367","","10.756","","8.895","","105.98","","96.04","","124.72","","739.406","","","","","","","","","","","","the Allende meteorite","6","P -1","-P 1","2","","","Rhonite","- Al2 Ca Mg2 O10 Si Ti -","- Al2 Ca Mg2 O10 Si Ti -","- Al8 Ca4 Mg8 O40 Si4 Ti4 -","4","2","","Bonaccorsi, E.; Merlino, S.; Pasero, M.","Rhonite: structural and microstructural features, crystal chemistry and polysomatic relationships","European Journal of Mineralogy","1990","2","","203","218","10.1127/ejm/2/2/0203","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005039","16.031","","17.264","","13.605","","90","","90","","90","","3765.31","","","","","","","","","","","","","4","B m m b","-B 2b 2","63","","","Dewindtite","- O26 P2 Pb2 U3 -","- O26 P2 Pb2 U3 -","- O208 P16 Pb16 U24 -","8","0.5","","Piret, P.; Piret-Meunier J; Deliens, M.","Composition chimique et structure cristalline de la dewindtite Pb3[H(UO2)3O2(PO4)2]2.12H2O","European Journal of Mineralogy","1990","2","","399","405","10.1127/ejm/2/3/0399","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005040","4.976","","8.468","","7.212","","90.04","","90","","90","","303.89","","","","","","","","","","","","Baveno, Italy","12","P m 1 1","","","","","Calcioancylite-(Nd)","- C4 Ca1.263 Ce0.626 Dy0.068 Gd0.273 La0.137 Nd0.879 O16 Pr0.147 Sm0.324 Tm0.029 Y0.254 -","- C4 Ca1.263 Ce0.626 Dy0.068 Gd0.273 La0.137 Nd0.879 O16 Pr0.147 Sm0.324 Tm0.029 Y0.254 -","- C4 Ca1.263 Ce0.626 Dy0.068 Gd0.273 La0.137 Nd0.879 O16 Pr0.147 Sm0.324 Tm0.029 Y0.254 -","1","0.5","","Orlandi, P.; Pasero, M.; Vezzalini, G.","Calcio-ancylite-(Nd), a new REE-carbonate from Baveno, Italy","European Journal of Mineralogy","1990","2","","413","418","10.1127/ejm/2/3/0413","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9005041","8.849","","5.671","","10.203","","90","","114.63","","90","","465.43","","","","","","","","","","","","Val Graveglia, Liguria, Italy","8","P 1 21/m 1","-P 2yb","11","","","Strontiopiemontite","- Al1.8 Ca1.05 Fe0.32 H Mn1.1 O13 Si3 Sr0.73 -","- Al1.8 Ca1.05 Fe0.32 H Mn1.1 O13 Si3 Sr0.73 -","- Al3.6 Ca2.1 Fe0.64 H2 Mn2.2 O26 Si6 Sr1.46 -","2","0.5","","Bonazzi, P.; Menchetti, S.; Palenzona, A.","Strontiopiemontite, a new member of the epidote group, from Val Graveglia, Liguria, Italy Sample: SRPM","European Journal of Mineralogy","1990","2","","519","523","10.1127/ejm/2/4/0519","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005042","8.87","","5.681","","10.209","","90","","114.88","","90","","466.692","","","","","","","","","","","","Val Graveglia, Liguria, Italy","8","P 1 21/m 1","-P 2yb","11","","","Strontiopiemontite","- Al1.74 Ca1.38 Fe0.32 H Mn0.94 O13 Si3 Sr0.62 -","- Al1.74 Ca1.38 Fe0.32 H Mn0.94 O13 Si3 Sr0.62 -","- Al3.48 Ca2.76 Fe0.64 H2 Mn1.88 O26 Si6 Sr1.24 -","2","0.5","","Bonazzi, P.; Menchetti, S.; Palenzona, A.","Strontiopiemontite, a new member of the epidote group, from Val Graveglia, Liguria, Italy Sample: SRPC","European Journal of Mineralogy","1990","2","","519","523","10.1127/ejm/2/4/0519","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005043","4.646","","5.491","","18.52","","90","","90","","90","","472.467","","","","","","","","","","","","Komiza","6","P 2 c m","P -2c 2","28","","","Prehnite","- Al1.83 Ca2 Fe0.17 H2 O12 Si3 -","- Al1.83 Ca2 Fe0.17 H2 O12 Si3 -","- Al3.66 Ca4 Fe0.34 H4 O24 Si6 -","2","0.5","","Balic-Zunic T; Scavnicar, S.; Molin, G.","Crystal structure of prehnite from Komiza","European Journal of Mineralogy","1990","2","","731","734","10.1127/ejm/2/5/0731","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005044","18.5432","","18.5432","","7.531","","90","","90","","120","","2242.6","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","Perlialite","- Al12 H37.324 K8 O94.46 Si24 Tl3.78 -","- Al11.9999 K8 O94.46 Si24.0001 Tl3.78 -","- Al11.9999 K8 O94.46 Si24.0001 Tl3.78 -","1","0.0416667","","Artioli, G.; Kvick, A.","Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with synchrotron radiation","European Journal of Mineralogy","1990","2","6","749","759","10.1127/ejm/2/6/0749","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005045","18.5432","","18.5432","","7.531","","90","","90","","120","","2242.6","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","Perlialite","- Al12 H37.408 K7.447 O95.24 Si24 Tl3.813 -","- Al11.9999 K7.447 O95.24 Si24.0001 Tl3.813 -","- Al11.9999 K7.447 O95.24 Si24.0001 Tl3.813 -","1","0.0416667","","Artioli, G.; Kvick, A.","Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with conventional diffractometer radiation","European Journal of Mineralogy","1990","2","6","749","759","10.1127/ejm/2/6/0749","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005046","17.678","","18.509","","6.488","","90","","90","","90","","2122.89","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Li1.66 Na0.34 O12 Si3 -","- Al2 H4 Li1.66 Na0.34 O12 Si3 -","- Al16 H32 Li13.28 Na2.72 O96 Si24 -","8","0.5","","Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W.","Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: Li-natrolite, LI","European Journal of Mineralogy","1990","2","","761","769","10.1127/ejm/2/6/0761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005047","18.307","","18.623","","6.5872","","90","","90","","90","","2245.78","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W.","Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: natrolite, NA","European Journal of Mineralogy","1990","2","","761","769","10.1127/ejm/2/6/0761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005048","19.27","","19.66","","6.469","","90","","90","","90","","2450.77","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 K2 O12 Si3 -","- Al2 H4 K2 O12 Si3 -","- Al16 H32 K16 O96 Si24 -","8","0.5","","Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W.","Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: K-natrolite, KK","European Journal of Mineralogy","1990","2","","761","769","10.1127/ejm/2/6/0761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005049","9.0437","","9.0437","","9.0437","","90","","90","","90","","739.671","","","","","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","Sodalite","- C96 H288 Al3 N O12 P3 -","- C96 H288 Al3 N O12 P3 -","- C192 H576 Al6 N2 O24 P6 -","2","0.0416667","","Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W.","Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: X-ray refinement Pm3n","European Journal of Mineralogy","1990","2","","787","798","10.1127/ejm/2/6/0787","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005050","9.0437","","9.0437","","9.0437","","90","","90","","90","","739.671","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","0.25","","Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W.","Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: X-ray refinement","European Journal of Mineralogy","1990","2","","787","798","10.1127/ejm/2/6/0787","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005051","9.0551","","9.0551","","9.0551","","90","","90","","90","","742.471","","","","295","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","0.25","","Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W.","Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 295 K","European Journal of Mineralogy","1990","2","","787","798","10.1127/ejm/2/6/0787","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005052","9.0374","","9.0374","","9.0374","","90","","90","","90","","738.126","","","","200","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","0.25","","Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W.","Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 200 K","European Journal of Mineralogy","1990","2","","787","798","10.1127/ejm/2/6/0787","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005053","8.9942","","8.9942","","8.9942","","90","","90","","90","","727.592","","","","20","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","0.25","","Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W.","Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 20 K","European Journal of Mineralogy","1990","2","","787","798","10.1127/ejm/2/6/0787","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005054","18.305","","18.632","","6.589","","90","","90","","90","","2247.24","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G","Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na I","European Journal of Mineralogy","1990","2","","799","807","10.1127/ejm/2/6/0799","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005055","18.372","","18.576","","6.606","","90","","90","","90","","2254.48","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G","Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na II","European Journal of Mineralogy","1990","2","","799","807","10.1127/ejm/2/6/0799","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005056","18.367","","18.583","","6.599","","90","","90","","90","","2252.33","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G","Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na III","European Journal of Mineralogy","1990","2","","799","807","10.1127/ejm/2/6/0799","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005057","17.704","","18.54","","6.495","","90","","90","","90","","2131.87","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G","Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Li II","European Journal of Mineralogy","1990","2","","799","807","10.1127/ejm/2/6/0799","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005058","39.576","","6.9308","","7.1526","","90","","90","","90","","1961.91","","","","","","","","","","","","","6","P m a 2","P 2 -2a","28","","","Lovdarite","- Be4 H18 K2 Na6 O45 Si14 -","- Be4 H18 K2 Na6 O45 Si14 -","- Be8 H36 K4 Na12 O90 Si28 -","2","0.5","","Merlino, S.","Lovdarite, K4Na12(Be8Si28O72).18H2O, a zeolite-like mineral: structural features and OD character","European Journal of Mineralogy","1990","2","","809","817","10.1127/ejm/2/6/0809","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005059","5.745","","5.745","","37.77","","90","","90","","120","","1079.59","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","Stratlingite","- Al2.11 Ca2 H18 O16.25 Si1.11 -","- Al2.11 Ca2 H16.5 O16.25 Si1.11 -","- Al6.33 Ca6 H49.5 O48.75 Si3.33 -","3","0.0833333","","Rinaldi, R.; Sacerdoti, M.; Passaglia, E.","Stratlingite: crystal structure, chemistry, and a reexamination of its polytype vertumnite","European Journal of Mineralogy","1990","2","","841","849","10.1127/ejm/2/6/0841","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005060","18.358","","18.358","","7.521","","90","","90","","120","","2195.11","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","Zeolite-L","- Al10.62 H72 K4.63 Na6 O91.32 Si25.38 -","- Al10.62 H38.64 K4.63 Na6 O91.32 Si25.38 -","- Al10.62 H38.64 K4.63 Na6 O91.32 Si25.38 -","1","0.0416667","","Sato, M.; Morikawa, K.; Kurosawa, S.","X-ray Rietveld analysis of cation exchanged zeolite-L (LTL) Sample: Na-L","European Journal of Mineralogy","1990","2","","851","859","10.1127/ejm/2/6/0851","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005061","18.358","","18.358","","7.523","","90","","90","","120","","2195.7","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","Zeolite-L","- Al6.12 H108 K4.64 O89.94 Si29.88 Sr1.46 -","- Al6.12 H23.88 K4.64 O89.94 Si29.88 Sr1.46 -","- Al6.12 H23.88 K4.64 O89.94 Si29.88 Sr1.46 -","1","0.0416667","","Sato, M.; Morikawa, K.; Kurosawa, S.","X-ray Rietveld analysis of cation exchanged zeolite-L (LTL) Sample: Sr-L","European Journal of Mineralogy","1990","2","","851","859","10.1127/ejm/2/6/0851","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005062","18.361","","18.361","","7.525","","90","","90","","120","","2197","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","Zeolite-L","- Al6 Ba1.14 H108 K4.86 O96.36 Si30 -","- Al6 Ba1.14 H36.72 K4.86 O96.36 Si30 -","- Al6 Ba1.14 H36.72 K4.86 O96.36 Si30 -","1","0.0416667","","Sato, M.; Morikawa, K.; Kurosawa, S.","X-ray Rietveld analysis of cation exchanged zeolite-L (LTL) Sample: Ba-L","European Journal of Mineralogy","1990","2","","851","859","10.1127/ejm/2/6/0851","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005063","18.411","","18.411","","7.558","","90","","90","","120","","2218.67","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","Zeolite-L","- Al8.664 Cs3.66 H58.08 K5 O85.5 Si27.336 -","- Al8.664 Cs3.66 H27 K5 O85.5 Si27.336 -","- Al8.664 Cs3.66 H27 K5 O85.5 Si27.336 -","1","0.0416667","","Sato, M.; Morikawa, K.; Kurosawa, S.","X-ray Rietveld analysis of cation exchanged zeolite-L (LTL) Sample: Cs-L Note: We are unable to reproduce the reported bond lengths to T1 and K1, and we have not been able to locate the authors to find out what is wrong.","European Journal of Mineralogy","1990","2","","851","859","10.1127/ejm/2/6/0851","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005064","9.8688","","14.1295","","8.7092","","90","","124.74","","90","","997.946","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Harmotome","- Al2.08 Ba O23 Si5.92 -","- Al2.08 Ba O23 Si5.92 -","- Al4.16 Ba2 O46 Si11.84 -","2","0.5","","Stuckenschmidt, E.; Fuess, H.; Kvick, A.","Investigation of the structure of harmotome by X-ray (293 K, 100 K) and neutron diffraction (15 K) Sample: 293 K","European Journal of Mineralogy","1990","2","","861","874","10.1127/ejm/2/6/0861","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005065","9.841","","14.085","","8.68","","90","","124.78","","90","","988.196","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Harmotome","- Al2.08 Ba O23 Si5.92 -","- Al2.08 Ba O23 Si5.92 -","- Al4.16 Ba2 O46 Si11.84 -","2","0.5","","Stuckenschmidt, E.; Fuess, H.; Kvick, A.","Investigation of the structure of harmotome by X-ray (293 K, 100 K) and neutron diffraction (15 K) Sample: 100 K","European Journal of Mineralogy","1990","2","","861","874","10.1127/ejm/2/6/0861","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005066","9.884","","14.1","","8.655","","90","","124.59","","90","","992.986","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Harmotome","- Al2.22 Ba H11.16 O21.84 Si5.34 -","- Al2.22 Ba H11.16 O21.84 Si5.34 -","- Al4.44 Ba2 H22.32 O43.68 Si10.68 -","2","0.5","","Stuckenschmidt, E.; Fuess, H.; Kvick, A.","Investigation of the structure of harmotome by X-ray (293 K, 100 K) and neutron diffraction (15 K) Sample: 15 K","European Journal of Mineralogy","1990","2","","861","874","10.1127/ejm/2/6/0861","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005756","13.62","","17.16","","16.68","","90","","90","","90","","3898.44","","","","","","","","","","","","","8","A m m a","-A 2a 2a","63","","","Stellerite","- Al3.978 Ca1.389 H2.8 K0.014 Mg0.008 Na0.189 O36.64 Si14.022 -","- Al3.978 Ca1.3888 H1.28 K0.0144 Mg0.008 Na0.1888 O36.64 Si14.022 -","- Al15.912 Ca5.5552 H5.12 K0.0576 Mg0.032 Na0.7552 O146.56 Si56.088 -","4","0.25","","Alberti, A.; Rinaldi, R.; Vezzalini, G.","Dynamics of dehydration in stilbite-type structures; stellerite phase B Sample: Stellerite phase B","Physics and Chemistry of Minerals","1978","2","","365","375","10.1007/BF00307578","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007426","6.01","","9.13","","6.84","","90","","90","","90","","375.32","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","","Atacamite","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl4 Cu8 H12 O12 -","4","0.5","","Wells, A. F.","The crystal structure of atacamite and the crystal chemistry of cupric compounds","Acta Crystallographica","1949","2","","175","180","10.1107/S0365110X49000461","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9009239","3.4456","","3.4456","","5.405","","90","","90","","120","","55.572","","","","77","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ni S -","- Ni S -","- Ni2 S2 -","2","0.166667","","Trahan, J.; Goodrich, R. G.; Watkins, S. F.","X-ray diffraction measurements on metallic and semiconducting hexagonal NiS Note: T = 77 K","Physical Review B","1970","2","","2859","2863","10.1103/PhysRevB.2.2859","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009240","3.4395","","3.4395","","5.3514","","90","","90","","120","","54.826","","","","300","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni S -","- Ni S -","- Ni2 S2 -","2","0.0833333","","Trahan, J.; Goodrich, R. G.; Watkins, S. F.","X-ray diffraction measurements on metallic and semiconducting hexagonal NiS Note: T = 300 K","Physical Review B","1970","2","","2859","2863","10.1103/PhysRevB.2.2859","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009564","8.59","","8.59","","5.92","","90","","90","","90","","436.826","","","","","","","","","","","","Pernek, Slovakia - 30 km north of Bratislava","3","P 42/m b c","-P 4c 2ab","135","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","0.25","","Zemann, J.","Formel und kristallstruktur des schafarzikits","Tschermaks Mineralogische und Petrographische Mitteilungen","1951","2","","166","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009565","8.59","","8.59","","5.56","","90","","90","","90","","410.262","","","","","","","","","","","","Copiapo, Chile","3","P 42/m b c","-P 4c 2ab","135","","","Trippkeite","- As2 Cu O4 -","- As2 Cu O4 -","- As8 Cu4 O16 -","4","0.25","","Zemann, J.","Formel und kristallstruktur des trippkeits Note: coordinates of Cu and As corrected per Pertlik, 1975","Tschermaks Mineralogische und Petrographische Mitteilungen","1951","2","","417","423","10.1007/BF01135291","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009651","3.7595","0.0001","3.7595","0.0001","10.4573","0.0002","90","","90","","120","","128","","","","78","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Arsenic","Arsenic","Arsenic","- As -","- As -","- As6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 78 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009652","3.7598","","3.7598","","10.5475","","90","","90","","120","","129.125","","","","299","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Arsenic","Arsenic","Arsenic","- As -","- As -","- As6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 299 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009653","4.3007","","4.3007","","11.222","","90","","90","","120","","179.754","","","","4.2","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Antimony","Antimony","Antimony","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 4.2 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009654","4.3012","","4.3012","","11.232","","90","","90","","120","","179.956","","","","78","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Antimony","Antimony","Antimony","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 78 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009655","4.3084","","4.3084","","11.274","","90","","90","","120","","181.234","","","","299","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Antimony","Antimony","Antimony","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 299 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009656","4.533","","4.533","","11.797","","90","","90","","120","","209.93","","","","4.2","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Bismuth","Bismuth","Bismuth","- Bi -","- Bi -","- Bi6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 4.2 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009657","4.535","","4.535","","11.814","","90","","90","","120","","210.418","","","","78","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Bismuth","Bismuth","Bismuth","- Bi -","- Bi -","- Bi6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 78 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009658","4.546","","4.546","","11.862","","90","","90","","120","","212.299","","","","298","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Bismuth","Bismuth","Bismuth","- Bi -","- Bi -","- Bi6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 298 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009864","10.28","","10.28","","7","","90","","90","","120","","640.641","","","","","","","","","","","","Langban, Varmland, Sweden","4","P 63","P 6c","173","","","Finnemanite","- As3 Cl O9 Pb5 -","- As3 Cl O9 Pb5 -","- As6 Cl2 O18 Pb10 -","2","0.333333","","Gabrielson, O.","The crystal structure of finnemanite Pb5Cl(AsO3)3","Arkiv for Mineralogi och Geologi","1956","2","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009865","8.15","","5.22","","6.58","","90","","106.13","","90","","268.913","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","Barytocalcite","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","- C4 Ba2 Ca2 O12 -","2","1","","Alm, K. F.","The crystal structure of barytocalcite BaCa(CO3)2","Arkiv for Mineralogi och Geologi","1960","2","","399","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009997","15.7866","","15.7866","","9.1015","","90","","90","","120","","1964.36","","","","","","","","","","","","Bisbee, Arizona, USA","6","P 63/m m c","-P 6c 2c","194","","","Connellite","- Cl0.827 Cu7.5 H27.75 N0.021 O28.487 S0.056 -","- Cl0.827 Cu7.5 H27.75 N0.021 O28.487 S0.056 -","- Cl1.654 Cu15 H55.5 N0.042 O56.974 S0.112 -","2","0.0833333","","Hibbs, D. E.; Leverett, P.; Williams, P. A.","Connellite from Bisbee, Arizona: A single-crystal X-ray study","Axis","2006","2","","1","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010676","18.625","","7.508","","10.247","","90","","108.056","","90","","1362.34","","","","","","","","","","","","Hokiya-dake, Japan","7","C 1 2/m 1","-C 2y","12","","","Dachiardite-Ca","- Al0.79 Ca0.64 H14 K0.23 Na0.15 O14.92 Si5.19 -","- Al0.79 Ca0.64 H5.84 K0.23 Na0.15 O14.92 Si5.19 -","- Al3.16 Ca2.56 H23.36 K0.92 Na0.6 O59.68 Si20.76 -","4","0.5","","Quartieri, S.; Vezzalini, G.; Alberti, A.","Dachiardite from Hokiya-dake: evidence of a new topology","European Journal of Mineralogy","1990","2","","187","193","10.1127/ejm/2/2/0187","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9012106","5.5","","3.28","","7.28","","90","","102.17","","90","","128.38","","","","23","","","","","","","","Synthetic","1","C 1 2/c 1","-C 2yc","15","","","Fluorine","- F2 -","- F2 -","- F8 -","4","0.5","","Pauling, L.; Keaveny, I.; Robinson, A. B.","The crystal structure of alpha-fluorine Sample: stable below 45.6 K Note: alpha phase","Journal of Solid State Chemistry","1970","2","","225","227","10.1016/0022-4596(70)90074-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012425","5.627","","5.575","","12.425","","90","","90","","90","","389.779","","","","","","","","","","","","Langban, Sweden","4","B m m b","-B 2b 2","63","","","Perite","- Bi Cl O2 Pb -","- Bi Cl O2 Pb -","- Bi4 Cl4 O8 Pb4 -","4","0.25","","Gillberg, M.","Perite, a new oxyhalide mineral from Langban, Sweden","Arkiv for Mineralogi och Geologi","1960","2","","565","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9013102","5.4304","","5.4304","","5.4304","","90","","90","","90","","160.138","","","","298.15","","","","","","","","Synthetic","1","F d -3 m :1","F 4d 2 3 -1d","227","Silicon","","Silicon","- Si -","- Si -","- Si8 -","8","0.0416667","","Dutta, B. N.","Lattice constants and thermal expansion of silicon up to 900 C by X-ray method Locality: synthetic Sample: at T = 25 C","Physica Status Solidi","1962","2","","984","987","10.1002/pssb.19620020803","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013103","5.437","","5.437","","5.437","","90","","90","","90","","160.723","","","","618.15","","","","","","","","Synthetic","1","F d -3 m :1","F 4d 2 3 -1d","227","Silicon","","Silicon","- Si -","- Si -","- Si8 -","8","0.0416667","","Dutta, B. N.","Lattice constants and thermal expansion of silicon up to 900 C by X-ray method Locality: synthetic Sample: at T = 345 C","Physica Status Solidi","1962","2","","984","987","10.1002/pssb.19620020803","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013104","5.441","","5.441","","5.441","","90","","90","","90","","161.078","","","","798.15","","","","","","","","Synthetic","1","F d -3 m :1","F 4d 2 3 -1d","227","Silicon","","Silicon","- Si -","- Si -","- Si8 -","8","0.0416667","","Dutta, B. N.","Lattice constants and thermal expansion of silicon up to 900 C by X-ray method Locality: synthetic Sample: at T = 525 C","Physica Status Solidi","1962","2","","984","987","10.1002/pssb.19620020803","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013105","5.4432","","5.4432","","5.4432","","90","","90","","90","","161.273","","","","888.15","","","","","","","","Synthetic","1","F d -3 m :1","F 4d 2 3 -1d","227","Silicon","","Silicon","- Si -","- Si -","- Si8 -","8","0.0416667","","Dutta, B. N.","Lattice constants and thermal expansion of silicon up to 900 C by X-ray method Locality: synthetic Sample: at T = 615 C","Physica Status Solidi","1962","2","","984","987","10.1002/pssb.19620020803","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013106","5.4455","","5.4455","","5.4455","","90","","90","","90","","161.478","","","","973.15","","","","","","","","Synthetic","1","F d -3 m :1","F 4d 2 3 -1d","227","Silicon","","Silicon","- Si -","- Si -","- Si8 -","8","0.0416667","","Dutta, B. N.","Lattice constants and thermal expansion of silicon up to 900 C by X-ray method Locality: synthetic Sample: at T = 700 C","Physica Status Solidi","1962","2","","984","987","10.1002/pssb.19620020803","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013107","5.448","","5.448","","5.448","","90","","90","","90","","161.7","","","","1058.15","","","","","","","","Synthetic","1","F d -3 m :1","F 4d 2 3 -1d","227","Silicon","","Silicon","- Si -","- Si -","- Si8 -","8","0.0416667","","Dutta, B. N.","Lattice constants and thermal expansion of silicon up to 900 C by X-ray method Locality: synthetic Sample: at T = 785 C","Physica Status Solidi","1962","2","","984","987","10.1002/pssb.19620020803","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013108","5.4515","","5.4515","","5.4515","","90","","90","","90","","162.012","","","","1151.15","","","","","","","","Synthetic","1","F d -3 m :1","F 4d 2 3 -1d","227","Silicon","","Silicon","- Si -","- Si -","- Si8 -","8","0.0416667","","Dutta, B. N.","Lattice constants and thermal expansion of silicon up to 900 C by X-ray method Locality: synthetic Sample: at T = 878 C","Physica Status Solidi","1962","2","","984","987","10.1002/pssb.19620020803","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013958","4.15","","4.15","","39.19","","90","","90","","120","","584.524","","","","","","","","","","","","Ikuno mine, Japan","2","R -3 m :H","-R 3 2""","166","","","Ikunolite","- Bi4 S3 -","- Bi4 S3 -","- Bi12 S9 -","3","0.0833333","","Kato, A.","Ikunolite, a new bismuth mineral from the Ikuno mine, Japan","Mineralogical Journal","1959","2","","397","407","10.2465/minerj1953.2.397","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014004","4.89","","4.89","","3.88","","90","","90","","120","","80.349","","","","","","","","","","","","hypothetical structure","1","P 6/m m m","-P 6 2","191","","","Carbon","- C -","- C -","- C10 -","10","0.416667","","Bucknum, M. J.; Castro, E. A.","The carbon allotrope hexagonite and its potential synthesis from cold compression of carbon nanotubes","Journal of Chemical Theory and Computation","2006","2","","775","781","10.1021/ct060003n","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014082","9.428","","9.428","","9.428","","94.14","","94.14","","94.14","","831.133","","","","","","","","","","","","Keller, Nidda, Germany","8","R -3 m :R","-P 3* 2","166","","","Chabazite-Ca","- Al3.84 Ca1.6 H30.08 K0.17 Mg0.4 O39.04 Si8.16 Sr0.34 -","- Al3.84 Ca1.6 H30.08 K0.17 Mg0.4 O39.04 Si8.16 Sr0.34 -","- Al3.84 Ca1.6 H30.08 K0.17 Mg0.4 O39.04 Si8.16 Sr0.34 -","1","0.0833333","","Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.","Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Natural chabazite","Zeolites","1982","2","","303","309","10.1016/S0144-2449(82)80075-4","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014093","9.425","","9.425","","9.425","","94.06","","94.06","","94.06","","830.61","","","","","","","","","","","","Keller, Nidda, Germany","5","R -3 m :R","-P 3* 2","166","","","Chabazite-Na","- Al3.72 H19.36 Na3.16 O33.68 Si8.28 -","- Al3.72 H19.36 Na3.16 O33.68 Si8.28 -","- Al3.72 H19.36 Na3.16 O33.68 Si8.28 -","1","0.0833333","","Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.","Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Na-exchanged","Zeolites","1982","2","","303","309","10.1016/S0144-2449(82)80075-4","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014433","16.426","","15.014","","5.2235","","90","","90","","90","","1288.22","","","","","","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","","Fabriesite","- Al3 Na3 O13.8 Si3 -","- Al3 Na3 O13.8 Si3 -","- Al12 Na12 O55.2 Si12 -","4","1","","Hansen, S.; Faelth, L.","X-ray study of the nepheline hydrate I structure","Zeolites","1982","2","","162","166","10.1016/S0144-2449(82)80046-8","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014472","9.401","","9.401","","9.401","","94.39","","94.39","","94.39","","823.139","","","","","","","","","","","","Keller, Nidda, Germany","5","R -3 m :R","-P 3* 2","166","","","Chabazite-Ca","- Al3.6 Ca1.76 H19.74 O33.87 Si8.4 -","- Al3.6 Ca1.76 H19.74 O33.87 Si8.4 -","- Al3.6 Ca1.76 H19.74 O33.87 Si8.4 -","1","0.0833333","","Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.","Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Ca-exchanged","Zeolites","1982","2","","303","309","10.1016/S0144-2449(82)80075-4","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015334","8.92","","8.92","","8.92","","90","","90","","90","","709.732","","","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Cr6 Fe18 Mo5 -","- Cr6 Fe18 Mo5 -","- Cr12 Fe36 Mo10 -","2","0.0416667","","Kasper, J. S.","The ordering of atoms in the chi-phase of the iron-chromium-molybdenum system","Acta Metallurgica","1954","2","","456","461","10.1016/0001-6160(54)90066-8","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015351","18.5432","","18.5432","","7.531","","90","","90","","120","","2242.6","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","Perlialite","- Al12 H46.48 K7.447 O95.24 Si24 Tl3.813 -","- Al11.9999 H46.48 K7.447 O95.24 Si24.0001 Tl3.813 -","- Al11.9999 H46.48 K7.447 O95.24 Si24.0001 Tl3.813 -","1","0.0416667","","Artioli, G.; Kvick, A.","Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with conventional diffractometer radiation","European Journal of Mineralogy","1990","2","","749","759","10.1127/ejm/2/6/0749","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9015490","18.5432","","18.5432","","7.531","","90","","90","","120","","2242.6","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","Perlialite","- Al12 H44.92 K8 O94.46 Si24 Tl3.78 -","- Al11.9999 H44.92 K8 O94.46 Si24.0001 Tl3.78 -","- Al11.9999 H44.92 K8 O94.46 Si24.0001 Tl3.78 -","1","0.0416667","","Artioli, G.; Kvick, A.","Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with synchrotron radiation","European Journal of Mineralogy","1990","2","","749","759","10.1127/ejm/2/6/0749","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9015567","11.858","","10.674","","12.197","","90","","106.68","","90","","1478.84","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Borax","- B4 H20 Na2 O17 -","- B4 H20 Na2 O17 -","- B16 H80 Na8 O68 -","4","0.5","","Morimoto, N.","The crystal structure of borax","Mineralogical Journal","1956","2","","1","18","10.2465/minerj1953.2.1","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015866","9.442","","9.442","","9.442","","94.29","","94.29","","94.29","","834.316","","","","","","","","","","","","Keller, Nidda, Germany","6","R -3 m :R","-P 3* 2","166","","","Chabazite-K","- Al3.6 H20.04 K3.02 Na0.44 O34.02 Si8.4 -","- Al3.6 H20.04 K3.02 Na0.44 O34.02 Si8.4 -","- Al3.6 H20.04 K3.02 Na0.44 O34.02 Si8.4 -","1","0.0833333","","Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.","Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: K-exchanged","Zeolites","1982","2","","303","309","10.1016/S0144-2449(82)80075-4","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016306","9.416","","9.416","","9.416","","93.87","","93.87","","93.87","","828.85","","","","","","","","","","","","Keller, Nidda, Germany","5","R -3 m :R","-P 3* 2","166","","","Chabazite-Sr","- Al3.6 H20.8 O34.4 Si8.4 Sr2.03 -","- Al3.6 O34.4 Si8.4 Sr2.03 -","- Al3.6 O34.4 Si8.4 Sr2.03 -","1","0.0833333","","Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.","Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Sr-exchanged","Zeolites","1982","2","","303","309","10.1016/S0144-2449(82)80075-4","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017404","6.24","","6.98","","6.97","","90","","90","","90","","303.58","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Wasastjerna, J.","The crystal structure of anhydrite, CaSO4","Commentationes Physico-Mathematicae","1927","2","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017502","6.0186","","4.7768","","10.4192","","90","","90.952","","90","","299.507","","","","59.7","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Sarcopside","- Fe3 O8 P2 -","- Fe3 O8 P2 -","- Fe6 O16 P4 -","2","0.5","","Warner, J. K.; Cheetham, A. K.; Nord, A. G.; Von Dreele, R. B.; Yethiraj, M.","Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2 Sample: FE3(PO4)2 Note: T = 59.7 K","Journal of Materials Chemistry","1992","2","","191","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017503","6.01037","","4.7727","","10.4052","","90","","90.944","","90","","298.44","","","","10.1","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Sarcopside","- Fe3 O8 P2 -","- Fe3 O8 P2 -","- Fe6 O16 P4 -","2","0.5","","Warner, J. K.; Cheetham, A. K.; Nord, A. G.; Von Dreele, R. B.; Yethiraj, M.","Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2 Sample: FE3(PO4)2 Note: T = 10.1 K","Journal of Materials Chemistry","1992","2","","191","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017775","2.866","","2.866","","2.866","","90","","90","","90","","23.541","","","","","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Steinhardtite","- Al -","- Al -","- Al2 -","2","0.0208333","","Vailionis, A.; Gamaly, E. G.; Mizeikis, V.; Yang, W.; Rode, A. V.; Juodkazis, S.","Evidence of superdense aluminium synthesized by ultrafast microexplosion","Nature Communications","2011","2","","445","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017897","5.802","","2.905","","8.411","","90","","90","","90","","141.766","","","","","","","","","","","","Suizhou L6 chondrite","4","P m m a","-P 2a 2a","51","","","Poirierite","- Fe0.038 Mg1.962 O4 Si -","- Fe0.038 Mg1.962 O4 Si -","- Fe0.076 Mg3.924 O8 Si2 -","2","0.25","","Tomioka, N.; Bindi, L.; Okuchi, T.; Miyahara, M.; Iitaka, T.; Li, Z.; Kawatsu, T.; Xie, X.; Purevjav, N.; Tani, R.; Kodama, Y.","Poirierite, a dense metastable polymorph of magnesium iron silicate in shocked meteorites","Communications Earth & Environment","2021","2","","","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""