# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-05T20:44:34+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 1 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
"1000167","4.63","0.005","4.63","0.005","8.935","0.01","90","","90","","90","","191.5","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Lithium hexafluorotitanate","","- F6 Li2 Ti -","- F6 Li2 Ti -","- F12 Li4 Ti2 -","2","0.125","","Portier, J; Tressaud, A; Menil, F; Claverie, J; de Pape, R; Hagenmueller, P","Sur quelques composes fluores a structure rutile et trirutile","Journal of Solid State Chemistry","1969","1","","100","102","10.1016/0022-4596(69)90014-0","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000273","5.0881","0.0002","5.0881","0.0002","12.7245","0.0004","90","","90","","90","","329.4","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.72 N0.93 Rb0.07 -","- Al F4 H3.72 N0.93 Rb0.07 -","- Al4 F16 H14.88 N3.72 Rb0.28 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.163","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000274","5.0893","0.0001","5.0893","0.0001","12.7177","0.0003","90","","90","","90","","329.4","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.6 N0.9 Rb0.1 -","- Al F4 H3.6 N0.9 Rb0.1 -","- Al4 F16 H14.4 N3.6 Rb0.4 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.141","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000275","5.0569","0.0001","5.0569","0.0001","12.7091","0.0003","90","","90","","90","","325","","","","","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","Rubidium ammonium tetrafluoroaluminate (0.03/1/1)","","- Al F4 H3.88 N0.97 Rb0.03 -","- Al F4 H3.88 N0.97 Rb0.03 -","- Al4 F16 H15.52 N3.88 Rb0.12 -","4","0.25","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.1528","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000276","5.0579","0.0001","5.0579","0.0001","12.7003","0.0002","90","","90","","90","","324.9","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.72 N0.93 Rb0.07 -","- Al F4 H3.72 N0.93 Rb0.07 -","- Al4 F16 H14.88 N3.72 Rb0.28 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ AL F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000277","5.06","0.001","5.06","0.001","12.6977","0.0003","90","","90","","90","","325.1","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.6 N0.9 Rb0.1 -","- Al F4 H3.6 N0.9 Rb0.1 -","- Al4 F16 H14.4 N3.6 Rb0.4 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000505","9.926","0.0001","8.6189","0.0001","9.7622","0.0001","90","","90","","90","","835.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Gallium phosphate(V) dihydrate","","- Ga H4 O6 P -","- Ga H8 O6 P -","- Ga8 H64 O48 P8 -","8","1","","Loiseau, T; Paulet, C; Ferey, G","Crystal structure determination of the hydrated gallium phosphate Ga P O4 . 2(H2 O), analog of variscite","C. R. Acad. Sci. Paris, T. 1, Serie II","1998","1","","667","674","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1004114","5.8952","0.0002","8.3541","0.0002","10.4142","0.0003","90","","100.56","0.01","90","","504.2","","","","","","","","","","","","artificial","4","P 1 21/c 1","-P 2ybc","14","","Disilver bis(dioxouranium(VI)) divanadate","Carnotite (Ag)","- Ag2 O12 U2 V2 -","- Ag2 O12 U2 V2 -","- Ag4 O24 U4 V4 -","2","0.5","","Abraham, F; Dion, C; Tancret, N; Saadi, M","Ag2 (U O2)2 V2 O8 : a new compound with the carnotite structure. Synthesis, structure and properties","Advanced Materials Research","1994","1","","511","520","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1008157","12.57","","12.57","","12.57","","90","","90","","90","","1986.1","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Tricalcium dialuminium hydroxide","","- Al2 Ca3 H12 O12 -","- Al2 Ca3 H12 O12 -","- Al16 Ca24 H96 O96 -","8","0.0833333","","Cohen-Addad, P D; Ducros, P; Durif-Varambon, A; Bertaut, E F; Delapalme, A","Etude de la Position des Atomes d'Hydrogene dans l'Hydrogenat Al~2~ O~3~ (Ca O)~3~ (H~2~ O)~6~","Solid State Communications","1963","1","","85","87","10.1016/0038-1098(63)90040-1","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008268","6.21","0.08","6.21","0.08","30","0.7","90","","90","","120","","1001.9","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Tetracaesium trinickel cadmium fluoride","","- Cd Cs4 F12 Ni3 -","- Cd Cs4 F12 Ni3 -","- Cd3 Cs12 F36 Ni9 -","3","0.0833333","","Dance, J M; Kerkouri, N; Soubeyroux, J L; Darriet, J; Tressaud, A","Cationic substitutions in fluorides of hexagonal Perovskite type. III. The Cs Ni~1-x~ Cd~x~ F3 system. Crystal chemistry and trimeric magnetic interactions in Cs Ni~.75~ Cd~.25~ F~3~","Materials Letters","1982","1","","49","52","10.1016/0167-577X(82)90004-0","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008525","14.323","0.003","7.106","0.002","15.795","0.003","90","","90.3","0.02","90","","1607.6","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetrapotassium phyllo-hexaarsenidotetraindate","","- As6 In4 K4 -","- As6 In4 K4 -","- As24 In16 K16 -","4","1","","Birdwishtell, T L T; Klein, C L; Jeffries, T; Stevens, E D; O'Connor, C J","Synthesis and crystal structures of the layered I-III-V Zintl phases, K~4~In~4~X~6~, where X=As, Sb","Journal of Materials Chemistry","1991","1","4","555","558","10.1039/jm9910100555","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008526","15.288","0.005","7.544","0.001","16.79","0.003","90","","90.54","0.02","90","","1936.3","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetrapotassium phyllo-hexaantimonidotetraindate","","- In4 K4 Sb6 -","- In4 K4 Sb6 -","- In16 K16 Sb24 -","4","1","","Birdwishtell, T L T; Klein, C L; Jeffries, T; Stevens, E D; O'Connor, C J","Synthesis and crystal structures of the layered I-III-V Zintl phases, K~4~In~4~X~6~, where X=As, Sb","Journal of Materials Chemistry","1991","1","4","555","558","10.1039/jm9910100555","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008727","8.46","0.01","8.46","0.01","21.87999","0.04","90","","90","","120","","1356.2","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Copper titanium phosphate(V) (0.5/2/3) - HT","","- Cu0.5 O12 P3 Ti2 -","- Cu0.501 O12 P3 Ti2 -","- Cu3.006 O72 P18 Ti12 -","6","0.333333","","Olazcuaga, R; Le Flem, G; Boireau, A; Soubeyroux, J L","The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 and D0.5 Cu(I)0.5 Zr2 (P O4)3","Advanced Materials Research","1994","1","","177","188","","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008728","8.84","0.01","8.84","0.01","22.31","0.04","90","","90","","120","","1509.9","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Deuterium copper zirconium phosphate(V) (0.36/0.52/2/3)","","- Cu0.516 D0.36 O12 P3 Zr2 -","- Cu0.516 D0.36 O12 P3 Zr2 -","- Cu3.096 D2.16 O72 P18 Zr12 -","6","0.166667","","Olazcuaga, R; Le Flem, G; Boireau, A; Soubeyroux, J L","The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 and D0.5 Cu(I)0.5 Zr2 (P O4)3","Advanced Materials Research","1994","1","","177","188","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009020","5.45","","5.45","","4.45","","90","","90","","120","","114.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Manganese rhodium nitride (3/1/0.2)","","- Mn3 N0.2 Rh -","- Mn3 N0.2 Rh -","- Mn6 N0.4 Rh2 -","2","0.0833333","","Kren, E; Kadar, G; Barberon, M; Fruchart, R","Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25","International Journal of Magnetism","1971","1","","341","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009021","5.5","","5.5","","4.5","","90","","90","","120","","117.9","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Manganese platinum nitride (3/1/0.25)","","- Mn3 N0.25 Pt -","- Mn3 N0.25 Pt -","- Mn6 N0.5 Pt2 -","2","0.0833333","","Kren, E; Kadar, G; Barberon, M; Fruchart, R","Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25","International Journal of Magnetism","1971","1","","341","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009030","7.02","","5.44","","5.24","","90","","90.1","","90","","200.1","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Disodium zinc silicate","","- Na2 O4 Si Zn -","- Na2 O4 Si Zn -","- Na4 O8 Si2 Zn2 -","2","1","","Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E","The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4","Journal of Solid State Chemistry","1969","1","","1","5","10.1016/0022-4596(69)90001-2","","","","","","0.15","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009047","5.496","0.001","5.496","","4.5","0.001","90","","90","","120","","117.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Manganese platinum nitride (3/1/0.25)","","- Mn3 N0.25 Pt -","- Mn3 N0.25 Pt -","- Mn6 N0.5 Pt2 -","2","0.0833333","","Kren, E; Barberon, M M; Fruchart, R","Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25","International Journal of Magnetism","1971","1","","341","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009049","5.45","0.01","5.45","","4.45","0.01","90","","90","","120","","114.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Manganese rhodium nitride (3/1/0.2)","","- Mn3 N0.2 Rh -","- Mn3 N0.2 Rh -","- Mn6 N0.4 Rh2 -","2","0.0833333","","Kren, E; Barberon, M M; Fruchart, R","Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25","International Journal of Magnetism","1971","1","","341","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009057","7.17","","5.56","","5.32","","90","","90.1","","90","","212.1","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Disodium zinc germanate","","- Ge Na2 O4 Zn -","- Ge Na2 O4 Zn -","- Ge2 Na4 O8 Zn2 -","2","1","","Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E","The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4","Journal of Solid State Chemistry","1969","1","","1","5","10.1016/0022-4596(69)90001-2","","","","","","0.15","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010636","9.64","","9.64","","9.64","","90","","90","","90","","895.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dipotassium hexachloroplatinate(IV)","","- Cl6 K2 Pt -","- Cl6 K2 Pt -","- Cl24 K8 Pt4 -","4","0.0208333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010637","10.02","","10.02","","10.02","","90","","90","","90","","1006","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dirubidium hexabromopalladate(IV)","","- Br6 Pd Rb2 -","- Br6 Pd Rb2 -","- Br24 Pd4 Rb8 -","4","0.0208333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010638","10.15","","10.15","","10.15","","90","","90","","90","","1045.7","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Hexaamminenickel chloride","","- Cl2 H18 N6 Ni -","- Cl2 H18 N6 Ni -","- Cl8 H72 N24 Ni4 -","4","0.0208333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010639","9.87","","9.87","","9.87","","90","","90","","90","","961.5","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Hexaamminecobalt chloride","","- Cl2 Co H18 N6 -","- Cl2 Co H18 N6 -","- Cl8 Co4 H72 N24 -","4","0.0208333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010640","10.92","","10.92","","10.92","","90","","90","","90","","1302.2","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Heaamminecobalt iodide","","- Co H18 I2 N6 -","- Co H18 I2 N6 -","- Co4 H72 I8 N24 -","4","0.0208333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010641","10.92","","10.92","","10.92","","90","","90","","90","","1302.2","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Hexaamminecobalt(III) iodide","","- Co H18 I3 N6 -","- Co H18 I3 N6 -","- Co4 H72 I12 N24 -","4","0.0833333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1011016","7.51","0.04","9.7","0.04","3.53","0.03","90","","93.32","","90","","256.7","","","","","","","","","","","","synthetic by evaporation","4","P 1 21/n 1","-P 2yn","14","","Sodium hydrogen carbonate","Nahcolite","- C H Na O3 -","- C H Na O3 -","- C4 H4 Na4 O12 -","4","1","","Zachariasen, W. H.","The Crystal Lattice of Sodium Bicarbonate, Na H C O3","Journal of Chemical Physics","1933","1","","634","639","10.1063/1.1749342","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1011023","7.82","","7.82","","7.36","","90","","90","","120","","389.8","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Dihydrogen oxide","Ice Ih","- H2 O -","- H2 O -","- H24 O12 -","12","1","","Bernal, J D; Fowler, R H","A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions","Journal of Chemical Physics","1933","1","","515","548","10.1063/1.1749327","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011163","4.2816","","4.2816","","4.2816","","90","","90","","90","","78.5","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.91/1)","Wuestite","- Fe0.911 O -","- Fe0.911 O -","- Fe3.644 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011164","4.2847","","4.2847","","4.2847","","90","","90","","90","","78.7","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.92/1)","Wuestite","- Fe0.918 O -","- Fe0.918 O -","- Fe3.672 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011165","4.2909","","4.2909","","4.2909","","90","","90","","90","","79","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.93/1)","Wuestite","- Fe0.929 O -","- Fe0.929 O -","- Fe3.716 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011166","4.2909","","4.2909","","4.2909","","90","","90","","90","","79","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.93/1)","Wuestite","- Fe0.932 O -","- Fe0.932 O -","- Fe3.728 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011167","4.2997","","4.2997","","4.2997","","90","","90","","90","","79.5","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.94/1)","Wuestite","- Fe0.944 O -","- Fe0.944 O -","- Fe3.776 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011168","4.301","","4.301","","4.301","","90","","90","","90","","79.6","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.94/1)","Wuestite","- Fe0.944 O -","- Fe0.944 O -","- Fe3.776 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011169","4.332","","4.332","","4.332","","90","","90","","90","","81.3","","","","","","","","","","","","hypothetical stoichometric end-member","2","F m -3 m","-F 4 2 3","225","","Iron oxide","Wuestite","- Fe O -","- Fe O -","- Fe4 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1100307","9.617","0.001","11.345","0.001","15.09","0.002","97.07","0.01","108.05","0.01","107.29","0.01","1452.04","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N2 O5 -","- C31 H32 N2 O5 -","- C62 H64 N4 O10 -","2","1","","Reetz, M. T.; Wünsch, T.; Harms, K.","Stereoselective synthesis of α,γ-diamino-β-hydroxy amino acid esters: A new class of amino acids","Tetrahedron: Asymmetry","1990","1","6","371","374","10.1016/0957-4166(90)90036-a","","","","","","","","","","","","","","","","","","","","","has coordinates","200395","2020-10-21","18:00:00",""
"1501635","10.0693","0.0007","13.9976","0.0007","16.2481","0.0008","90","","90","","90","","2290.1","0.2","295","","295","","","","","","","","Synthesized by the authors. See text","3","A b a 2","A 2 -2ab","41","","","","- C25 H12 Br4 -","- C25 H12 Br4 -","- C100 H48 Br16 -","4","","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0433","0.0424","","","0.1009","0.1011","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501636","13.5519","0.0002","13.5519","0.0002","10.7761","0.0004","90","","90","","90","","1979.07","0.08","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 42/n :2","-P 4bc","86","","","","- C29 H16 Br16 -","- C29 H16 Br16 -","- C58 H32 Br32 -","2","0.25","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0262","0.0262","","","0.0672","0.0672","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501637","19.2957","0.001","13.8813","0.0008","20.0269","0.001","90","","94.857","0.002","90","","5344.9","0.5","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Br6 -","- C27 H18 Br6 -","- C216 H144 Br48 -","8","2","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0477","0.0427","","","0.1076","0.1119","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501638","10.384","0.0004","17.969","0.0007","11.188","0.0003","90","","90.38","0.002","90","","2087.52","0.13","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br2 -","- C26 H18 Br2 -","- C104 H72 Br8 -","4","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","0.71073","MoKα","","0.0788","0.0432","","","0.0942","0.1138","","","","","","1.041","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501639","10.4523","0.0002","17.8465","0.0003","11.039","0.0002","90","","90.004","0.001","90","","2059.18","0.06","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Br -","- C27 H21 Br -","- C108 H84 Br4 -","4","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0339","0.0332","","","0.0897","0.0905","","","","","","1.068","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501640","17.865","0.003","19.788","0.003","16.886","0.005","90","","112.641","0.018","90","","5509","2","295","2","295","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br4 Cl2 N4 -","- C26 H18 Br4 Cl2 N4 -","- C208 H144 Br32 Cl16 N32 -","8","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0717","0.0653","","","0.1925","0.2004","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506342","8.9203","0.0018","12.925","0.003","21.104","0.004","90","","90.521","0.003","90","","2433.1","0.9","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 F6 N3 O3 P Re -","- C22 H17 F6 N3 O3 P Re -","- C88 H68 F24 N12 O12 P4 Re4 -","4","1","","Stoyanov, Stanislav R.; Villegas, John M.; Cruz, Arvin J.; Lockyear, Loranelle L.; Reibenspies, Joseph H.; Rillema, D. Paul","Computational and Spectroscopic Studies of Re(I) Bipyridyl Complexes Containing 2,6-Dimethylphenylisocyanide (CNx) Ligand","Journal of Chemical Theory and Computation","2005","1","1","95","","10.1021/ct049956g","","","0.71073","MoKα","","0.0319","0.0279","","","0.0748","0.0868","","","","","","1.184","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507555","10.546","0.001","12.55","0.001","10.674","0.001","90","","112.15","0.01","90","","1308.5","0.2","299","","299","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H33 N2 O7 P S -","- C23 H33 N2 O7 P S -","- C46 H66 N4 O14 P2 S2 -","2","1","","Amspacher, David R.; Blanchard, Carol Z.; Fronczek, Frank R.; Saraiva, Marcelo C.; Waldrop, Grover L.; Strongin, Robert M.","Synthesis of a Reaction Intermediate Analogue of Biotin-Dependent Carboxylases via a Selective Derivatization of Biotin","Organic Letters","1999","1","1","99","","10.1021/ol990026z","","","1.54184","Cu-Kα","","0.128","0.096","","0.104","0.104","","","","4.756","4.753","4.753","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507556","7.4729","0.0004","12.4337","0.0007","14.4929","0.0009","79.296","0.003","80.363","0.003","75.546","0.003","1270.9","0.13","125","0.1","125","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 N2 O3 -","- C26 H42 N2 O3 -","- C52 H84 N4 O6 -","2","1","","Allen, Annette D.; Cheng, Bernice; Fenwick, Michael H.; Huang, Wen-wei; Missiha, Sharif; Tahmassebi, Daryoush; Tidwell, Thomas T.","Radical Additions of TEMPO to Ketenes: Correlation of Free Radical and Nucleophilic Reactivity","Organic Letters","1999","1","5","693","","10.1021/ol990628i","","","0.71073","MoKα","","0.0734","0.0463","","","0.1231","0.1359","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507557","17.6335","0.0011","11.7727","0.0008","8.5975","0.0005","90","","100.718","0.002","90","","1753.65","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rel-(1S,2R,3S,6R)-6-Azido-2-bromo-4-cyclohexene-1,3-diol ?","","- C6 H8 Br N3 O2 -","- C6 H8 Br N3 O2 -","- C48 H64 Br8 N24 O16 -","8","2","","Murphy, Sean T.; Bencsik, Josef R.; Johnson, Carl R.","Enantioselective Synthesis of (−)-LL-C10037α from Benzoquinone","Organic Letters","1999","1","9","1483","","10.1021/ol991038n","","","0.71073","MoKα","","0.0988","0.0553","","0.1252","0.1155","","","","0.906","1.149","1.149","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507558","17.4244","0.001","11.7782","0.0006","8.6105","0.0005","90","","92.531","0.001","90","","1765.39","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rel-(1S,2S,3S,4R,5S,6S)-4-Azido-2-bromo-5,6-epoxycyclohexane-1,3-diol ?","","- C6 H8 Br N3 O3 -","- C6 H8 Br N3 O3 -","- C48 H64 Br8 N24 O24 -","8","2","","Murphy, Sean T.; Bencsik, Josef R.; Johnson, Carl R.","Enantioselective Synthesis of (−)-LL-C10037α from Benzoquinone","Organic Letters","1999","1","9","1483","","10.1021/ol991038n","","","0.71073","MoKα","","0.0562","0.0347","","0.0794","0.0731","","","","0.94","1.027","1.027","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507559","8.36","0.001","8.462","0.001","8.558","0.001","103.18","0.01","105.09","0.01","93.46","0.01","564.51","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Guanidiniocarbonyl-1H-pyrrole acetate hydrate","","- C8 H14 N4 O4 -","- C8 H14 N4 O4 -","- C16 H28 N8 O8 -","2","1","","Schmuck, Carsten; Lex, Johann","Acetate Binding within a Supramolecular Network Formed by a Guanidiniocarbonyl Pyrrole Cation in the Solid State","Organic Letters","1999","1","11","1779","","10.1021/ol9910621","","","0.71073","MoKα","","0.0464","0.0366","","","0.096","0.1027","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1508363","15.525","0.0014","22.703","0.002","31.993","0.003","90","","90","","90","","11276.4","1.8","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C94 H88 N24 Ni6 O19 S2 -","- C94 H76 N24 Ni6 O19 S2 -","- C376 H304 N96 Ni24 O76 S8 -","4","0.5","","Zheng, Xiao-Feng; Zhu, Long-Guan","An Unsymmetrical Trinickel Metal Complex with 4-Sulfobenzoate Axial Ligand: [Ni3(dpa)4(4-sb)(H2O)]x3H2O","Crystals","2011","1","3","120","127","10.3390/cryst1030120","","","0.71073","MoKα","","0.1514","0.074","","","0.2034","0.26","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508364","7.3326","0.0005","19.4897","0.0014","8.6586","0.0006","90","","106.069","0.002","90","","1189.06","0.14","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7,7-dimethyl-2-pyridin-4-yl-6,7-dihydro[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine","","- C11 H13 N7 -","- C11 H13 N7 -","- C44 H52 N28 -","4","1","","Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung","Molecular and Crystal Structure of 7,7-Dimethyl-2-pyridin-4-yl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine [1]","Crystals","2011","1","3","136","144","10.3390/cryst1030136","","x-ray","0.71073","MoKα","","0.0582","0.0476","","","0.1188","0.1255","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508365","5.0655","0.0006","8.4614","0.0008","46.856","0.005","90","","90","","90","","2008.3","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Alfonso, Ignacio; Bolte, Michael; Burguete, M. Isabel; Luis, Santiago V.","Crystal Structure of the N-Benzyloxycarbonyl-alanyl-phenylalanyl-methyl Ester: The Importance of the H-Bonding Pattern","Crystals","2011","1","3","163","170","10.3390/cryst1030163","","","0.71073","MoKα","","0.091","0.0416","","","0.0603","0.0697","","","","","","0.73","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508366","9.9349","0.0008","6.3377","0.0005","10.5783","0.001","90","","97.752","0.003","90","","659.97","0.1","180","1","180","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C30 H24 N4 O4 S2 -","2","1","","Saeed, Aamer; ul Mahmood, Shams; Ishida, H.","Synthesis and Crystal Structure of 3-(4-Methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one","Crystals","2011","1","3","171","177","10.3390/cryst1030171","","","0.71075","MoKα","","0.0271","0.0266","","","0.0702","0.0704","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508367","4.8499","0.0011","12.037","0.003","12.804","0.002","64.561","0.015","86.815","0.017","83.893","0.017","671.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 I2 O8 -","- C24 H32 I2 O8 -","- C24 H32 I2 O8 -","1","0.5","","Walbaum, Christine; Pantenburg, Ingo; Meyer, Gerd","Iodine Molecules Included in the Structure of Dibenzo-24-Crown-8, (I2)@(db24c8)","Crystals","2011","1","4","215","219","10.3390/cryst1040215","","","0.71073","MoKα","","0.0804","0.0301","","","0.0625","0.0751","","","","","","0.835","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508369","20.941","0.0011","8.7523","0.0005","21.2291","0.0009","90","","93.529","0.003","90","","3883.5","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C176 H184 N8 O40 -","8","2","","Petrov, Anna; Jones, Roderick C.; Vaughan, Douglas G.; Lough, Alan J.; Gossage, Robert A.","The Crystal and Molecular Structure of (2Z)-2-[3-(4-Methoxybenzoyl)-4,4-dimethyl-1,2-oxazolidin-2-ylidene]-1-(4-methoxyphenyl)ethanone","Crystals","2011","1","4","229","235","10.3390/cryst1040229","","","0.71073","MoKα","","0.1167","0.0727","","","0.1872","0.2117","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508370","31.075","0.002","31.075","0.002","6.1875","0.0004","90","","90","","120","","5174.5","0.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C5 H19.47 N2 O5.24 P -","- C5 H19.46 N2 O5.23 P -","- C90 H350.28 N36 O94.14 P18 -","18","1","","Harrison, William T. A.","Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2·HPO3·H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2·HPO3·2.23H2O","Crystals","2011","1","4","236","243","10.3390/cryst1040236","","","0.71073","MoKα","","0.0835","0.0444","","","0.097","0.1072","","","","","","0.928","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508371","8.564","0.005","9.593","0.006","11.607","0.006","90","","90","","90","","953.6","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H17 N2 O4 P -","- C5 H17 N2 O4 P -","- C20 H68 N8 O16 P4 -","4","1","","Harrison, William T. A.","Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2 HPO3 H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2 HPO3 2 23H2O","Crystals","2011","1","4","236","243","10.3390/cryst1040236","","","0.71073","MoKα","","0.1598","0.0657","","","0.065","0.0811","","","","","","0.785","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508372","22.43","0.004","8.1478","0.0016","13.522","0.003","90","","90","","90","","2471.2","0.9","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H9 F N2 O S -","- C14 H9 F N2 O S -","- C112 H72 F8 N16 O8 S8 -","8","2","","Saeed, Aamer; Flörke, Ulrich","Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one","Crystals","2011","1","4","254","259","10.3390/cryst1040254","","","0.71073","MoKα","","0.1001","0.0649","","","0.1439","0.1638","","","","","","1.038","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508403","11.0965","0.0005","13.0586","0.0006","16.6135","0.0008","90","","108.324","0.001","90","","2285.31","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Mo N5 O3 -","- C25 H17 Mo N5 O3 -","- C100 H68 Mo4 N20 O12 -","4","1","","Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A.","Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives","Crystals","2012","1","2","47","58","10.3390/cryst1020047","","","0.71073","MoKα","","0.0719","0.0349","","","0.0622","0.07","","","","","","0.868","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508404","11.4788","0.0006","19.073","0.001","11.9881","0.0006","90","","95.179","0.001","90","","2613.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 Mo N5 O3 -","- C31 H21 Mo N5 O3 -","- C124 H84 Mo4 N20 O12 -","4","1","","Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A.","Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives","Crystals","2012","1","2","47","58","10.3390/cryst1020047","","","0.71073","MoKα","","0.039","0.0304","","","0.0719","0.0758","","","","","","1.037","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508405","8.4222","0.0003","21.5966","0.0009","12.5011","0.0005","90","","94.065","0.001","90","","2268.12","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Mo N5 O3 -","- C24 H19 Mo N5 O3 -","- C96 H76 Mo4 N20 O12 -","4","1","","Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A.","Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives","Crystals","2012","1","2","47","58","10.3390/cryst1020047","","","0.71073","MoKα","","0.0345","0.0249","","","0.0614","0.0649","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508406","12.3829","0.0003","7.9124","0.0002","11.0858","0.0003","90","","114.788","0.002","90","","986.1","0.05","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H2 Ba O5 P -","- C H2 Ba O5 P -","- C8 H16 Ba8 O40 P8 -","8","1","","Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A.","Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4","Crystals","2012","1","2","59","68","10.3390/cryst1020059","","","0.71073","MoKα","","0.0168","0.0164","","","0.0392","0.0396","","","","","","1.143","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508407","12.7393","0.0007","13.0111","0.0007","5.605","0.0003","90","","104.208","0.004","90","","900.62","0.09","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H18 Ba N2 O18 -","- C10 H18 Ba N2 O18 -","- C20 H36 Ba2 N4 O36 -","2","0.25","","Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A.","Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4","Crystals","2012","1","2","59","68","10.3390/cryst1020059","","","0.71073","MoKα","","0.0278","0.0266","","","0.0529","0.0537","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508408","12.1143","0.0008","3.9556","0.0003","14.2781","0.0009","90","","90","","90","","684.2","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 S4 -","- Ba Lu2 S4 -","- Ba4 Lu8 S16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0739","0.0643","","","0.1306","0.1361","","","","","","1.186","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508409","12.6132","0.0008","4.1089","0.0003","14.8774","0.0009","90","","90","","90","","771.04","0.09","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 Se4 -","- Ba Lu2 Se4 -","- Ba4 Lu8 Se16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0303","0.0259","","","0.0566","0.058","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508410","13.5358","0.0008","4.3847","0.0003","15.9362","0.0009","90","","90","","90","","945.82","0.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 Te4 -","- Ba Lu2 Te4 -","- Ba4 Lu8 Te16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0901","0.0603","","","0.0938","0.1032","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508411","11.7671","0.0018","10.8528","0.0017","10.2115","0.0015","90","","90.213","0.003","90","","1304.1","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As7 Cs2 Na -","- As7 Cs2 Na -","- As28 Cs8 Na4 -","4","1","","Hua, He; Chauntae, Tyson; Svilen, Bobev","New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14","Crystals","2012","1","3","87","98","10.3390/cryst1030087","","","0.71073","MoKα","","0.088","0.0441","","","0.0678","0.0812","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508412","10.608","0.003","16.761","0.005","14.363","0.004","90","","91.785","0.005","90","","2552.5","1.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As14 Cd Cs4 -","- As14 Cd Cs4 -","- As56 Cd4 Cs16 -","4","1","","Hua, He; Chauntae, Tyson; Svilen, Bobev","New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14","Crystals","2012","1","3","87","98","10.3390/cryst1030087","","","0.71073","MoKα","","0.051","0.032","","","0.0554","0.061","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508413","29.067","0.002","10.4714","0.0008","43.039","0.003","90","","128.092","0.001","90","","10309.9","1.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As14 Cs4 Zn -","- As14 Cs4 Zn -","- As224 Cs64 Zn16 -","16","4","","Hua, He; Chauntae, Tyson; Svilen, Bobev","New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14","Crystals","2012","1","3","87","98","10.3390/cryst1030087","","","0.71073","MoKα","","0.0912","0.0436","","","0.0737","0.0893","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508414","6.8712","0.0009","6.8712","0.0009","12.2531","0.0017","90","","90","","120","","501","0.12","293","2","293","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","Tri-natrium-molybdo(III)hexa-chlorid","","","- Cl6 Mo Na3 -","- Cl6 Mo Na3 -","- Cl12 Mo2 Na6 -","2","0.166667","","Beran, Martin; Meyer, Gerd","Crystal Structure of Na3MoCl6","Crystals","2012","1","3","99","103","10.3390/cryst1030099","","","0.71073","MoKα","","0.035","0.0238","","","0.0671","0.0706","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508415","7.2279","0.0017","7.2279","0.0017","5.469","0.003","90","","90","","120","","247.44","0.16","120","2","120","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ba Sn3 -","- Ba Sn3 -","- Ba2 Sn6 -","2","0.0833333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure","Crystals","2012","1","3","104","111","10.3390/cryst1030104","","","0.71073","MoKα","","0.0137","0.0137","","","0.0301","0.0301","","","","","","1.321","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508416","7.2604","0.0013","7.2604","0.0013","5.382","0.002","90","","90","","120","","245.69","0.11","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba In0.2 Sn2.8 -","- Ba In0.21 Sn2.79 -","- Ba2 In0.42 Sn5.58 -","2","0.0833333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure","Crystals","2012","1","3","104","111","10.3390/cryst1030104","","","0.71073","MoKα","","0.0207","0.0207","","","0.041","0.041","","","","","","1.295","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508417","4.5383","0.0006","12.2486","0.0016","14.3747","0.0019","90","","90","","90","","799.06","0.18","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Ga1.79 Sn4.21 -","- Ba Ga1.79 Sn4.21 -","- Ba4 Ga7.16 Sn16.84 -","4","0.25","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure","Crystals","2012","1","3","145","162","10.3390/cryst1030145","","","0.71073","MoKα","","0.0306","0.0258","","","0.0588","0.0606","","","","","","1.213","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508418","11.68","0.0012","11.68","0.0012","11.68","0.0012","90","","90","","90","","1593.4","0.3","293","2","293","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ga14.5 Sn31.5 -","- Ba8 Ga14.456 Sn31.544 -","- Ba8 Ga14.456 Sn31.544 -","1","0.0208333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure","Crystals","2012","1","3","145","162","10.3390/cryst1030145","","","0.71073","MoKα","","0.0392","0.0295","","","0.0554","0.0577","","","","","","1.218","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508419","11.5843","0.0007","11.5843","0.0007","11.5843","0.0007","90","","90","","90","","1554.57","0.16","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ba8 Ga13.2 Sn32.8 -","- Ba8 Ga13.212 Sn32.796 -","- Ba8 Ga13.212 Sn32.796 -","1","0.0208333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure","Crystals","2012","1","3","145","162","10.3390/cryst1030145","","","0.71073","MoKα","","0.0199","0.0187","","","0.0453","0.0456","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508420","19.032","0.001","47.979","0.003","17.596","0.001","90","","116.066","0.004","90","","14433.3","1.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N6 Ni O8 -","- C24 H20 N6 Ni O8 -","- C576 H480 N144 Ni24 O192 -","24","6","","Prior, Timothy J.; Rujiwatra, Apinpus; Chimupala, Yothin","[Ni(1,10-phenanthroline)2(H2O)2](NO3)2: A Simple Coordination Complex with a Remarkably Complicated Structure that Simplifies on Heating","Crystals","2012","1","3","178","194","10.3390/cryst1030178","","","0.71073","MoKα","","0.1102","0.0632","","","0.1449","0.1715","","","","","","0.965","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508421","17.247","0.007","4.9279","0.0018","12.24","0.005","90","","132.558","0.004","90","","766.3","0.5","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba5 Cd2 O2 Sb4 -","- Ba5 Cd2 O2 Sb4 -","- Ba10 Cd4 O4 Sb8 -","2","0.25","","Darone, Gregory M.; Bobev, Svilen","Ba5Cd2Sb4O2, A New Antimonide Oxide with a Complex Structure","Crystals","2012","1","3","206","214","10.3390/cryst1030206","","","0.71073","MoKα","","0.0291","0.0241","","","0.0492","0.0513","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508422","13.7685","0.001","11.7274","0.0012","17.0023","0.0017","90","","115.197","0.006","90","","2484.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Bi I5 O5 -","- C14 H20 Bi I5 O5 -","- C56 H80 Bi4 I20 O20 -","4","1","","Fiolka, Christoph; Richter, Mark; Pantenburg, Ingo; Mudring, Anja-Verena; Meyer, Gerd","(B15c5)BiI3(I2): Molecular Benzo-15-Crown-5‒BiI3 Complexes Bridged by Iodine Molecules to Chains","Crystals","2012","1","4","220","228","10.3390/cryst1040220","","","0.71073","MoKα","","0.0395","0.029","","","0.0637","0.0713","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509060","4.1087","","4.1087","","4.1087","","90","","90","","90","","69.361","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Silver thulium (0.96/0.04)","","- Ag0.96 Tm0.04 -","- Ag0.96 Tm0.04 -","- Ag3.84 Tm0.16 -","4","0.0208333","","McMasters, O.D.; Gschneidner, K.A.jr.; Venteicher, R.F.; Alexander, D.G.","Factors influencing the formation of silver-rich solid solutions in the rare earth-silver systems","Metallurgical Transactions","1970","1","","1961","1971","10.1007/BF02642796","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509113","4.438","","4.438","","7.224","","90","","90","","120","","123.22","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Silver gallium yttrium (0.4/1.6/1)","","- Ag0.4 Ga1.6 Y -","- Ag0.4 Ga1.6 Y -","- Ag0.8 Ga3.2 Y2 -","2","0.0833333","","Dwight, A.E.","The Ca In2-type structure in Y Ag0.4 Ga1.6","Powder Diffraction","1986","1","","328","329","10.1017/S088571560001201X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509798","2.97735","","2.97735","","5.688","","90","","90","","120","","43.667","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ag2 F -","- Ag2 F -","- Ag2 F -","1","0.0833333","","Williams, A.","Neutron powder diffraction study of silver subfluoride","Journal of Physics: Condensed Matter","1989","1","","2569","2574","10.1088/0953-8984/1/15/002","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509838","4.1075","","4.1075","","4.1075","","90","","90","","90","","69.3","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag91 Sc9)0.04","","- Ag3.64 Sc0.36 -","- Ag3.64 Sc0.36 -","- Ag3.64 Sc0.36 -","1","0.00520833","","Venteicher, R.F.; Alexander, D.G.; Gschneidner, K.A.jr.; McMasters, O.D.","Factors influencing the formation of silver-rich solid solutions in the rare earth-silver systems","Metallurgical Transactions","1970","1","","1961","1971","10.1007/BF02642796","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509848","4.1088","","4.1088","","4.1088","","90","","90","","90","","69.366","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag21 Lu)0.18","","- Ag3.78 Lu0.18 -","- Ag3.82 Lu0.18 -","- Ag3.82 Lu0.18 -","1","0.00520833","","Alexander, D.G.; McMasters, O.D.; Venteicher, R.F.; Gschneidner, K.A.jr.","Factors influencing the formation of silver-rich solid solutions in rare-earth - silver alloy systems","Metallurgical Transactions","1970","1","","1961","1971","10.1007/BF02642796","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509865","4.0872","","4.0872","","4.0872","","90","","90","","90","","68.278","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag99 Sm)0.04","","- Ag3.96 Sm0.04 -","- Ag3.98 Sm0.02 -","- Ag3.98 Sm0.02 -","1","0.00520833","","Venteicher, R.F.; Gschneidner, K.A.jr.; McMasters, O.D.; Alexander, D.G.","Factors influencing the formation of silver-rich solid solutions in the rare earth-silver systems","Metallurgical Transactions","1970","1","","1961","1971","10.1007/BF02642796","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509866","4.0893","","4.0893","","4.0893","","90","","90","","90","","68.383","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag99 Tb)0.04","","- Ag3.96 Tb0.04 -","- Ag3.968 Tb0.032 -","- Ag3.968 Tb0.032 -","1","0.00520833","","Gschneidner, K.A.jr.; Alexander, D.G.; McMasters, O.D.; Venteicher, R.F.","Factors influencing the formation of silver-rich solid solutions in the rare earth-silver systems","Metallurgical Transactions","1970","1","","1961","1971","10.1007/BF02642796","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509907","25.00999","","25.00999","","25.00999","","90","","90","","90","","15643.7","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ag86 Al86 Si106 O384 (H2 O)38.72","","- Ag44.8 Al85.9968 O422.72 Si106.003 -","- Ag44.8 Al85.9968 O422.72 Si106.003 -","- Ag44.8 Al85.9968 O422.72 Si106.003 -","1","0.00520833","","Mortier, W.J.; Gellens, L.R.; Uytterhoeven, J.B.","On the nature of the charged silver clusters in zeolites of type A, X and Y","Zeolites","1981","1","","11","18","10.1016/S0144-2449(81)80035-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509935","24.84999","","24.84999","","24.84999","","90","","90","","90","","15345.4","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ag55.5 Al55.5 Si136.5 O384","","- Ag50.88 Al55.5072 O384 Si136.493 -","- Ag50.88 Al55.5072 O384 Si136.493 -","- Ag50.88 Al55.5072 O384 Si136.493 -","1","0.00520833","","Mortier, W.J.; Uytterhoeven, J.B.; Gellens, L.R.","Oxidation and reduction of silver in zeolite Y. A structural study","Zeolites","1981","1","","85","90","10.1016/S0144-2449(81)80020-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509946","7.59","","8.31","","11.42","","82.6","","102.9","","106.4","","671.879","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Ag6 Mo10 O33 -","- Ag6 Mo10 O33 -","- Ag6 Mo10 O33 -","1","0.5","","Leverett, P.; Gatehouse, B.M.","The crystal structure of Ag6 Mo10 O33","Journal of Solid State Chemistry","1970","1","","484","496","10.1016/0022-4596(70)90131-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509955","24.68999","","24.68999","","24.68999","","90","","90","","90","","15050.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ag63.7 Al63.7 Si128.3 O384","","- Ag63.7 Al63.7 O384 Si128.3 -","- Ag63.84 Al63.7056 O384 Si128.294 -","- Ag63.84 Al63.7056 O384 Si128.294 -","1","0.00520833","","Mortier, W.J.; Uytterhoeven, J.B.; Gellens, L.R.","Oxidation and reduction of silver in zeolite Y. A structural study","Zeolites","1981","1","","85","90","10.1016/S0144-2449(81)80020-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509975","25.06","","25.06","","25.06","","90","","90","","90","","15737.8","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ag79.7 Al86 Si106 O384","","- Ag79.7 Al86 O384 Si106 -","- Ag79.68 Al86.4 O384 Si105.6 -","- Ag79.68 Al86.4 O384 Si105.6 -","1","0.00520833","","Uytterhoeven, J.B.; Mortier, W.J.; Gellens, L.R.","On the nature of the charged silver clusters in zeolites of type A, X and Y","Zeolites","1981","1","","11","18","10.1016/S0144-2449(81)80035-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510023","7.722","","7.722","","7.722","","90","","90","","90","","460.457","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ag3 P O4","","- Ag3 O3.984 P0.504 -","- Ag3 O3.984 P1.008 -","- Ag12 O15.936 P4.032 -","4","0.0208333","","Tofield, B.C.; Newsam, J.M.; Cheetham, A.K.","Structural studies of the high-temperature modifications of sodium and silver orthophosphates, II-Na3 P O4 and II-Ag3 P O4, and of the low-temperature form I-Ag3 P O4","Solid State Ionics","1980","1","","377","393","10.1016/0167-2738(80)90037-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510026","6.061","","6.061","","6.061","","90","","90","","90","","222.655","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Ag3 P O4","","- Ag3 O4 P -","- Ag3 O4 P -","- Ag6 O8 P2 -","2","0.0833333","","Tofield, B.C.; Cheetham, A.K.; Newsam, J.M.","Structural studies of the high-temperature modifications of sodium and silver orthophosphates, II-Na3 P O4 and II-Ag3 P O4, and of the low-temperature form I-Ag3 P O4","Solid State Ionics","1980","1","","377","393","10.1016/0167-2738(80)90037-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510129","6.606","","6.606","","6.606","","90","","90","","90","","288.281","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au Er Sn -","- Au Er Sn -","- Au4 Er4 Sn4 -","4","0.0416667","","Dwight, A.E.","Rare earth - Au(Cu) - X compounds with the Fe2 P-, Ca In2-, and Mg Ag As-types","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1976","1","","480","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510142","2.9811","","2.9811","","5.5389","","90","","90","","120","","42.629","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Au3 Cd97)0.02","","- Au0.06 Cd1.94 -","- Au0.06 Cd1.94 -","- Au0.06 Cd1.94 -","1","0.0416667","","King, H.W.; Farrar, R.A.","Axial ratios and solubility limits of H.C.P. eta phases in the systems Cd - Au, Cd - Li, and Zn - Li","Metallography","1968","1","","79","90","10.1016/0026-0800(68)90018-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510158","7.7","","7.7","","3.98","","90","","90","","120","","204.36","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Au Gd In -","- Au Gd In -","- Au3 Gd3 In3 -","3","0.25","","Dwight, A.E.","Rare earth - Au(Cu) - X compounds with the Fe2P-, CaIn2-, and MgAgAs-types","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1976","1","","480","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510161","4.66","","4.66","","7.43","","90","","90","","120","","139.731","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Au Sn) Gd","","- Au Gd Sn -","- Au Gd Sn -","- Au2 Gd2 Sn2 -","2","0.0833333","","Dwight, A.E.","Rare earth - Au(Cu) - X compounds with the Fe2 P-, Ca In2-, and Mg Ag As-types","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1976","1","","480","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510180","6.624","","6.624","","6.624","","90","","90","","90","","290.644","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au Ho Sn -","- Au Ho Sn -","- Au4 Ho4 Sn4 -","4","0.0416667","","Dwight, A.E.","Rare earth - Au(Cu) - X compounds with the Fe2 P-, Ca In2-, and Mg Ag As-types","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1976","1","","480","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510194","6.832","","6.832","","6.832","","90","","90","","90","","318.892","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Au In Pd Y -","- Au In Pd Y -","- Au4 In4 Pd4 Y4 -","4","0.0208333","","Hull, G.W.; Wernick, J.H.; Geballe, T.H.; Waszczak, J.V.; Bernardini, J.E.","Superconductivity in ternary Heusler intermetallic compounds","Materials Letters","1983","1","","90","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510303","6.591","","6.591","","6.591","","90","","90","","90","","286.321","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au Sn Tm -","- Au Sn Tm -","- Au4 Sn4 Tm4 -","4","0.0416667","","Dwight, A.E.","Rare earth- Au (Cu)-X compounds with the Fe2 P-, Ca In2-, and Mg Ag As-types","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1976","1","","480","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510320","3.584","","3.584","","3.584","","90","","90","","90","","46.037","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Yb -","- Au Yb -","- Au Yb -","1","0.0208333","","Palenzona, A.; Iandelli, A.","Binary phase diagrams of ytterbium with Cu, Ag and Au","Colloques Internationaux du Centre National de la Recherche Scientifique","1970","1","","159","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510524","4.0636","","4.0636","","4.0636","","90","","90","","90","","67.102","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Au4 Mn)0.8","","- Au3.248 Mn0.752 -","- Au3.248 Mn0.752 -","- Au3.248 Mn0.752 -","1","0.00520833","","Preston, R.R.","Quantitatie siize-factors for gold-manganese solid solutions","Journal of Materials Science","1966","1","","309","310","10.1007/BF00550180","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511063","5.016","","5.016","","4.22","","90","","90","","90","","106.176","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Co2 B","","- B Co2 -","- B Co2 -","- B4 Co8 -","4","0.125","","Lundstroem, T.; Aronsson, B.; Engstroem, I.","Some aspects of the crystal chemistry of borides, carbo-borides and silicides if the transition metals","Anisotropy in single-crystal refractory compounds, Proceedings of an international symposium","1968","1","","3","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511153","5.109","","5.109","","4.249","","90","","90","","90","","110.907","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Fe2 B","","- B Fe2 -","- B Fe2 -","- B4 Fe8 -","4","0.125","","Aronsson, B.; Engstroem, I.; Lundstroem, T.","Some aspects of the crystal chemistry of borides, boro-carbides and silicides of the transition metals","Anisotropy in single-crystal refractory compounds, Proceedings of an international symposium","1968","1","","3","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511411","5.847","","8.415","","10.298","","90","","90","","90","","506.687","","","","","","","","","","","","","2","I m a m","-I 2c 2","74","","Na B15","","- B15 Na -","- B15 Na -","- B60 Na4 -","4","0.25","","Kasper, J.S.; Naslain, R.","The crystal structure of the phi-phase in the boron-sodium system","Journal of Solid State Chemistry","1970","1","","150","151","10.1016/0022-4596(70)90006-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511538","8.529","","7.607","","9.416","","90","","93.9","","90","","609.496","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Yb Co (B O2)5","","- B5 Co O10 Yb -","- B5 Co O10 Yb -","- B20 Co4 O40 Yb4 -","4","1","","Abdullaev, G.K.; Mamedov, H.C.; Dzhafarov, G.G.","The structure of ytterbium and cobalt pentametaborate Yb Co (B O2)5","Azerbaidzhanskii Khimicheskii Zhurnal","1985","1","","110","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511585","10.594","","10.594","","10.594","","90","","90","","90","","1188.99","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Co21 Sb2 B6","","- B6 Co21 Sb2 -","- B6 Co21 Sb2 -","- B24 Co84 Sb8 -","4","0.0208333","","Voroshilov, Yu.V.; Kuz'ma, Yu.B.; Cherkashin, E.E.","New ternary compounds with W2 Cr21 C6 -type structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1965","1","","1017","1019","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511586","10.575","","10.575","","10.575","","90","","90","","90","","1182.61","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Co21 U2 B6","","- B6 Co21 U2 -","- B6 Co21 U2 -","- B24 Co84 U8 -","4","0.0208333","","Kuz'ma, Yu.B.; Voroshilov, Yu.V.; Cherkashin, E.E.","New ternary compounds with W2 Cr21 C6-type structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1965","1","","1017","1019","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511628","10.585","","10.585","","10.585","","90","","90","","90","","1185.97","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ni21 Sb2 B6","","- B6 Ni21 Sb2 -","- B6 Ni21 Sb2 -","- B24 Ni84 Sb8 -","4","0.0208333","","Kuz'ma, Yu.B.; Voroshilov, Yu.V.; Cherkashin, E.E.","New ternary compounds with W2 Cr21 C6-type structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1965","1","","1109","1111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511630","10.647","","10.647","","10.647","","90","","90","","90","","1206.93","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ni21 U2 B6","","- B6 Ni21 U2 -","- B6 Ni21 U2 -","- B24 Ni84 U8 -","4","0.0208333","","Kuz'ma, Yu.B.; Cherkashin, E.E.; Voroshilov, Yu.V.","New ternary compounds with W2 Cr21 C6-type structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1965","1","","1017","1019","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511645","4.13","","4.13","","4.13","","90","","90","","90","","70.445","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Si B6","","- B6 Si -","- B6 Si -","- B6 Si -","1","0.0208333","","Zhuravlev, N.N.","The X-ray structural analysis of Si B6","Kristallografiya","1956","1","","666","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511662","7.731","","9.03","","14.194","","81.55","","82.18","","64.76","","883.577","","","","","","","","","","","","","3","P -1","-P 1","2","","Pr8 Cl7 B7","","- B7 Cl7 Pr8 -","- B7 Cl7 Pr8 -","- B14 Cl14 Pr16 -","2","1","","Vajenine, G.V.; Mattausch, H.J.; Kremer, R.K.; Oeckler, O.; Simon, A.","Pr8 Cl7 B7: preparation, structure, bonding, properties","Solid State Sciences","1999","1","","509","521","10.1016/S1293-2558(00)80103-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513566","11.0104","0.0003","10.0398","0.0002","18.604","0.0004","90","","97.32","0.002","90","","2039.77","0.08","10","","10","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude","Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole","IUCrJ","2014","1","2","110","118","10.1107/S2052252514002838","","","0.71073","MoKα","","0.0322","0.0321","","","0.0284","0.0284","","","","","","0.901","","","","has coordinates,has Fobs","301776","2025-08-18","14:47:44",""
"1513567","10.978","0.001","10.006","0.001","18.488","0.002","90","","97.223","0.004","90","","2014.7","0.3","35","","35","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude","Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole","IUCrJ","2014","1","2","110","118","10.1107/S2052252514002838","","","0.71073","MoKα","","0.0291","0.0257","","","0.0281","0.0281","","","","","","0.922","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513568","11.047","0.001","10.129","0.001","18.652","0.002","90","","97.223","0.003","90","","2070.5","0.4","70","","70","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude","Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole","IUCrJ","2014","1","2","110","118","10.1107/S2052252514002838","","","0.71073","MoKα","","0.0288","0.0288","","","0.0282","0.0282","","","","","","0.945","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513569","8.7711","0.0006","10.0113","0.001","12.0057","0.0009","67.978","0.008","78.03","0.006","69.224","0.008","910.38","0.15","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","1","0.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.0445","0.0392","","","0.0983","0.1021","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513570","9.2233","0.0003","36.2938","0.0012","16.5853","0.0005","90","","97.827","0.003","90","","5500.2","0.3","120","","120","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C264 H240 N36 O24 -","6","1.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.1052","0.0672","","","0.1407","0.1642","","","","","","1.034","","","","has coordinates,has Fobs","301776","2025-08-18","14:47:44",""
"1513572","9.0828","0.0003","12.3446","0.0004","16.6095","0.0004","90","","96.32","0.002","90","","1851","0.1","160","","160","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C88 H80 N12 O8 -","2","0.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.0737","0.0524","","","0.1348","0.1487","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513573","9.118","0.0003","12.3427","0.0004","16.64","0.0004","90","","96.381","0.003","90","","1861.08","0.1","200","","200","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C88 H80 N12 O8 -","2","0.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.0854","0.0582","","","0.1489","0.1677","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513574","9.1938","0.0004","12.3828","0.0006","16.7311","0.0008","90","","96.358","0.004","90","","1893.04","0.15","296","","296","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C88 H80 N12 O8 -","2","0.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.1068","0.0647","","","0.182","0.2202","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513575","9.2118","0.0002","36.2075","0.0007","16.5458","0.0004","90","","97.923","0.002","90","","5465.9","0.2","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C264 H240 N36 O24 -","6","1.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.0715","0.0503","","","0.1105","0.1214","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513576","17.8201","0.0005","8.3288","0.0002","39.3222","0.0009","90","","91.901","0.002","90","","5833","0.3","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C272 H256 N32 O32 -","16","4","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.1131","0.0731","","","0.1349","0.1516","","","","","","1.079","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513577","26.127","0.009","26.127","0.009","3.7926","0.0009","90","","90","","90","","2588.9","1.4","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","3,4-dichlorophenol","","","- C6 H4 Cl2 O -","- C6 H4 Cl2 O -","- C96 H64 Cl32 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0544","0.0409","","","0.0896","0.0956","","","","","","1.076","","","","has coordinates,has Fobs","301776","2025-08-18","14:47:44",""
"1513578","26.186","0.008","26.186","0.008","3.8144","0.0008","90","","90","","90","","2615.6","1.3","200","2","200","2","","","","","","","","4","I 41/a :2","-I 4ad","88","3,4-dichlorophenol","","","- C6 H4 Cl2 O -","- C6 H4 Cl2 O -","- C96 H64 Cl32 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0583","0.0416","","","0.0991","0.1072","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513579","26.251","0.01","26.251","0.01","3.8524","0.0011","90","","90","","90","","2654.7","1.6","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","3,4-dichlorophenol","","","- C6 H4 Cl2 O -","- C6 H4 Cl2 O -","- C96 H64 Cl32 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0902","0.0504","","","0.1186","0.1402","","","","","","0.994","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513580","26.419","0.005","26.419","0.005","3.8824","0.0006","90","","90","","90","","2709.8","0.8","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","4-bromo-3-chlorophenol","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C96 H64 Br16 Cl16 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0423","0.0319","","","0.0596","0.0623","","","","","","1.153","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513581","26.465","0.005","26.465","0.005","3.9017","0.0006","90","","90","","90","","2732.7","0.8","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","4-bromo-3-chlorophenol","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C96 H64 Br16 Cl16 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0481","0.0342","","","0.0671","0.071","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513582","26.65","0.03","26.65","0.03","3.965","0.003","90","","90","","90","","2816","5","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","4-bromo-3-chlorophenol","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C96 H64 Br16 Cl16 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0755","0.0407","","","0.0727","0.0828","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513583","11.457","0.003","4.1113","0.0009","15.233","0.004","90","","108.905","0.008","90","","678.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-bromo-4-chlorophenol","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C24 H16 Br4 Cl4 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.046","0.036","","","0.0842","0.0891","","","","","","1.083","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513584","11.222","0.018","4.263","0.007","15.81","0.03","90","","106.933","0.019","90","","724","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-chloro-3-iodophenol","","","- C6 H4 Cl I O -","- C6 H4 Cl I O -","- C24 H16 Cl4 I4 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0363","0.0305","","","0.075","0.1095","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513585","11.242","0.018","4.286","0.007","15.87","0.02","90","","107.016","0.018","90","","731.2","1.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-chloro-3-iodophenol","","","- C6 H4 Cl I O -","- C6 H4 Cl I O -","- C24 H16 Cl4 I4 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0403","0.0333","","","0.0819","0.1126","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513586","11.26","0.02","4.321","0.008","15.88","0.03","90","","106.74","0.02","90","","740","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-chloro-3-iodophenol","","","- C6 H4 Cl I O -","- C6 H4 Cl I O -","- C24 H16 Cl4 I4 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0487","0.0385","","","0.0969","0.1238","","","","","","0.999","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513587","11.169","0.002","4.2067","0.0008","14.911","0.003","90","","91.07","0.006","90","","700.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-dibromophenol","","","- C6 H4 Br2 O -","- C6 H4 Br2 O -","- C24 H16 Br8 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0707","0.0479","","","0.0973","0.1039","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513588","4.9531","0.0014","24.02","0.006","8.007","0.003","90","","118.88","0.02","90","","834.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3,5-trichlorosalicylic acid","","","- C7 H3 Cl3 O3 -","- C7 H3 Cl3 O3 -","- C28 H12 Cl12 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0501","0.0468","","","0.1336","0.1452","","","","","","1.107","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513589","4.9712","0.0014","24.094","0.005","8.0459","0.0019","90","","118.884","0.015","90","","843.8","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3,5-trichlorosalicylic acid","","","- C7 H3 Cl3 O3 -","- C7 H3 Cl3 O3 -","- C28 H12 Cl12 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0498","0.0457","","","0.1261","0.1394","","","","","","1.097","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513590","4.979","0.0011","24.298","0.006","8.0971","0.0017","90","","119.108","0.012","90","","855.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3,5-trichlorosalicylic acid","","","- C7 H3 Cl3 O3 -","- C7 H3 Cl3 O3 -","- C28 H12 Cl12 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0526","0.0464","","","0.1299","0.1464","","","","","","1.109","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513591","3.8017","0.0008","6.1607","0.0012","14.208","0.003","92.417","0.007","94.718","0.007","92.286","0.007","331.03","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4-chlorobenzoic acid","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0385","0.0347","","","0.0957","0.0977","","","","","","1.105","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513592","3.8208","0.0007","6.1785","0.0012","14.209","0.003","92.591","0.007","94.866","0.007","91.978","0.007","333.63","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","4-chlorobenzoic acid","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0424","0.0369","","","0.0963","0.0997","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513593","3.8686","0.0013","6.227","0.002","14.243","0.005","92.794","0.007","95.149","0.007","91.493","0.006","341.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","4-chlorobenzoic acid","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0464","0.0386","","","0.1002","0.1058","","","","","","1.065","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513768","11.7629","0.0002","25.0523","0.0005","21.7142","0.0004","90","","92.779","0.007","90","","6391.4","0.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H49 Cl3 N9 P3 -","- C73 H49 Cl3 N9 P3 -","- C292 H196 Cl12 N36 P12 -","4","1","","Nishimoto, Takuro; Yasuda, Takuma; Lee, Sae Youn; Kondo, Ryosuke; Adachi, Chihaya","A six-carbazole-decorated cyclophosphazene as a host with high triplet energy to realize efficient delayed-fluorescence OLEDs","Materials Horizons","2014","1","2","264","","10.1039/c3mh00079f","","","0.71075","MoKα","","","0.064","","","","0.1884","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513769","9.837","0.0007","9.5017","0.0006","10.7087","0.0008","90","","107.165","0.008","90","","956.34","0.12","298","2","298","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Parrott, Edward P. J.; Tan, Nicholas Y.; Hu, Rongrong; Zeitler, J. Axel; Tang, Ben Zhong; Pickwell-MacPherson, Emma","Direct evidence to support the restriction of intramolecular rotation hypothesis for the mechanism of aggregation-induced emission: temperature resolved terahertz spectra of tetraphenylethene","Materials Horizons","2014","1","2","251","","10.1039/c3mh00078h","","x-ray","1.5418","CuKα","","0.0523","0.0486","","","0.1273","0.132","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1514231","4.44","","4.44","","4.44","","90","","90","","90","","87.528","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Manganese Oxide","Manganosite","- Mn O -","- Mn O -","- Mn4 O4 -","4","0.0208333","","Goldschmidt, V. M.; Barth, T.; Holmsen, D.; Lunde, G.; Zachariasen, W.","Geochemische Verteilungsgesetze VI. Ueber die Kristallstrukturen vom Rutiltypus, mit Bemerkungen zur Geochemie zweiwertiger und vierwertiger Elemente","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse","1926","1","","5","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514322","16.1473","0.0008","4.7928","0.0002","9.2488","0.0005","90","","90.212","0.005","90","","715.77","0.06","10","2","10","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Co adipate","","","- C6 H8 Co O4 -","- C6 H8 Co O4 -","- C24 H32 Co4 O16 -","4","1","","Saines, Paul J.; Barton, Phillip T.; Jura, Marek; Knight, Kevin S.; Cheetham, Anthony K.","Cobalt adipate, Co(C6H8O4): antiferromagnetic structure, unusual thermal expansion and magnetoelastic coupling","Materials Horizons","2014","1","3","332","","10.1039/c4mh00009a","","","0.71073","MoKα","","0.0847","0.0725","","","0.1898","0.1986","","","","","","1.178","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515761","11.232","0.002","13.693","0.003","14.106","0.003","96.27","0.03","91.4","0.03","90.45","0.03","2155.8","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H128 O23 V6 -","- C70 H128 O23 V6 -","- C70 H128 O23 V6 -","1","0.5","","Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.","Low-valent vanadium catecholate clusters","Chemical Science","2010","1","2","221","","10.1039/c0sc00142b","","","0.7977","synchrotron","","0.0567","0.055","","","0.1518","0.154","","","","","","1.033","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515762","11.486","0.004","28.417","0.011","14.966","0.005","90","","100.286","0.009","90","","4806","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C98 H124 O24 V6 -","- C98 H124 O24 V6 -","- C196 H248 O48 V12 -","2","0.5","","Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.","Low-valent vanadium catecholate clusters","Chemical Science","2010","1","2","221","","10.1039/c0sc00142b","","","0.71073","MoKα","","0.1574","0.0778","","","0.1614","0.1873","","","","","","0.836","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515763","11.2421","0.0008","14.0373","0.001","21.6847","0.0016","105.957","0.001","93.77","0.001","95.885","0.001","3257","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H98 O11 V2 -","- C62 H98 O11 V2 -","- C124 H196 O22 V4 -","2","1","","Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.","Low-valent vanadium catecholate clusters","Chemical Science","2010","1","2","221","","10.1039/c0sc00142b","","","0.7848","synchrotron","","0.0624","0.0554","","","0.1512","0.1591","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515764","13.52","0.003","18.22","0.004","19.29","0.004","89.59","0.03","74.53","0.03","82.69","0.03","4540.6","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H120 O24 V6 -","- C67.0003 H116.001 O24.0003 V6 -","- C134.001 H232.002 O48.0006 V12 -","2","1","","Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.","Low-valent vanadium catecholate clusters","Chemical Science","2010","1","2","221","","10.1039/c0sc00142b","","","0.6942","synchrotron","","0.1136","0.0724","","","0.21","0.2421","","","","","","1.032","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1515765","13.7603","0.0012","11.8807","0.001","20.3294","0.0018","90","","95.249","0.002","90","","3309.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H98 O13 V2 -","- C62 H92 O13 V2 -","- C124 H184 O26 V4 -","2","0.5","","Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.","Low-valent vanadium catecholate clusters","Chemical Science","2010","1","2","221","","10.1039/c0sc00142b","","","0.71073","MoKα","","0.0907","0.0613","","","0.1712","0.1857","","","","","","0.985","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1515766","11.686","0.012","7.737","0.007","10.674","0.011","90","","114.187","0.005","90","","880.4","1.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","2,8-DMeDNTT","2,8-DMeDNTT","","- C24 H16 S2 -","- C24 H16 S2 -","- C48 H32 S4 -","2","1","","Kang, Myeong Jin; Yamamoto, Tatsuya; Shinamura, Shoji; Miyazaki, Eigo; Takimiya, Kazuo","Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors","Chemical Science","2010","1","2","179","","10.1039/c0sc00156b","","","0.7107","MoKα","","0.1027","0.0731","","","0.1702","0.1929","","","","","","0.902","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515767","6.148","0.002","7.535","0.003","18.559","0.007","90","","97.924","0.001","90","","851.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,10-DMeDNTT","3,10-DMeDNTT","","- C24 H16 S2 -","- C24 H16 S2 -","- C48 H32 S4 -","2","0.5","","Kang, Myeong Jin; Yamamoto, Tatsuya; Shinamura, Shoji; Miyazaki, Eigo; Takimiya, Kazuo","Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors","Chemical Science","2010","1","2","179","","10.1039/c0sc00156b","","","0.7107","MoKα","","0.0474","0.0395","","","0.1087","0.1146","","","","","","0.982","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515768","8.8343","0.0011","27.11","0.004","17.039","0.002","90","","92.118","0.002","90","","4078","0.9","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","rkl-100180-E10","toste03","","- C44 H52 Au N2 O3 P -","- C44 H52 Au N2 O3 P -","- C176 H208 Au4 N8 O12 P4 -","4","1","","Lalonde, Rebecca L.; Brenzovich, Jr, William E; Benitez, Diego; Tkatchouk, Ekaterina; Kelley, Kotaro; Goddard, 3rd, William A; Toste, F. Dean","Alkylgold complexes by the intramolecular aminoauration of unactivated alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","2","226","","10.1039/C0SC00255K","","","0.71073","MoKα","","0.0844","0.0656","","","0.1566","0.1636","","","","","","1.251","","","","has coordinates","259043","2020-11-08","03:45:06",""
"1515769","9.2568","0.0019","12.331","0.003","15.174","0.003","95.195","0.003","105.262","0.003","101.577","0.003","1618","0.6","139","2","139","2","","","","","","","","6","P -1","-P 1","2","KK-140","toste15","","- C39 H39 Au N2 O P -","- C39 H39 Au N2 O P -","- C78 H78 Au2 N4 O2 P2 -","2","1","","Lalonde, Rebecca L.; Brenzovich, Jr, William E; Benitez, Diego; Tkatchouk, Ekaterina; Kelley, Kotaro; Goddard, 3rd, William A; Toste, F. Dean","Alkylgold complexes by the intramolecular aminoauration of unactivated alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","2","226","","10.1039/C0SC00255K","","","0.71073","MoKα","","0.0645","0.0418","","","0.0858","0.0971","","","","","","0.999","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515770","15.7834","0.0008","15.7834","0.0008","21.1015","0.0011","90","","90","","120","","4552.4","0.4","125","2","125","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C21 H34 B Cl3 Ga2 N6 S3 -","- C21 H34 B Cl3 Ga2 N6 S3 -","- C126 H204 B6 Cl18 Ga12 N36 S18 -","6","0.333333","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0941","0.04","","","0.0677","0.0747","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515771","17.1401","0.001","11.9049","0.0007","19.0672","0.0011","90","","100.615","0.001","90","","3824.1","0.4","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 B Ga2 I3 N6 S3 -","- C27 H40 B Ga2 I3 N6 S3 -","- C108 H160 B4 Ga8 I12 N24 S12 -","4","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0298","0.023","","","0.0541","0.0574","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515772","11.0854","0.001","11.1373","0.001","16.5062","0.0014","76.455","0.001","83.638","0.001","80.982","0.001","1950.9","0.3","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H40 B Ga2 I3 N8 S3 -","- C25 H40 B Ga2 I3 N8 S3 -","- C50 H80 B2 Ga4 I6 N16 S6 -","2","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.036","0.0297","","","0.0755","0.0779","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515773","30.236","0.004","10.3955","0.0013","27.107","0.003","90","","110.589","0.002","90","","7976","1.7","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H80 B2 Ga4 I5 N16 S6 -","- C42 H68 B2 Ga4 I5 N12 S6 -","- C168 H272 B8 Ga16 I20 N48 S24 -","4","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.1471","0.1116","","","0.2935","0.3103","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515774","14.953","0.002","20.106","0.003","11.2381","0.0018","90","","90","","90","","3378.7","0.9","125","2","125","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C46 H74 B2 Ga3 I3 N14 S6 -","- C46 H74 B2 Ga3 I3 N14 S6 -","- C92 H148 B4 Ga6 I6 N28 S12 -","2","0.5","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0537","0.0378","","","0.0979","0.1061","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515775","28.73","0.005","11.539","0.002","19.666","0.003","90","","102.55","0.003","90","","6363.8","1.8","125","2","125","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H84 B2 Ga I N12 S6 -","- C56 H84 B2 Ga I N12 S6 -","- C224 H336 B8 Ga4 I4 N48 S24 -","4","0.5","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.081","0.0473","","","0.1059","0.1222","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515776","16.5444","0.0008","16.5444","0.0008","11.2559","0.0011","90","","90","","120","","2668.2","0.3","125","2","125","2","","","","","","","","7","P -3","-P 3","147","","","","- C45 H43 B2 F15 Ga N9 S3 -","- C39 H34 B2 F15 Ga N6 S3 -","- C78 H68 B4 F30 Ga2 N12 S6 -","2","0.333333","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0518","0.0354","","","0.0735","0.0767","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515777","15.8552","0.0007","12.7781","0.0005","18.4005","0.0008","90","","100.18","0.001","90","","3669.2","0.3","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 B Cl3 Ga2 N6 S4 -","- C27 H40 B Cl3 Ga2 N6 S4 -","- C108 H160 B4 Cl12 Ga8 N24 S16 -","4","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0706","0.0393","","","0.0845","0.0958","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515778","16.0697","0.0007","17.5534","0.0008","26.6647","0.0012","90","","95.197","0.001","90","","7490.6","0.6","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 B Cl5 Ga2 N7 S3 -","- C23 H37 B Cl5 Ga2 N7 S3 -","- C184 H296 B8 Cl40 Ga16 N56 S24 -","8","2","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0375","0.0279","","","0.0672","0.0722","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515779","11.0927","0.0005","14.4146","0.0007","16.1852","0.0008","98.23","0.001","107.155","0.001","112.117","0.001","2194.38","0.18","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H36 B Cl11 Ga2 N6 S3 -","- C21 H34 B Cl5 Ga2 N6 S3 -","- C42 H68 B2 Cl10 Ga4 N12 S6 -","2","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0509","0.0421","","","0.1282","0.1342","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515780","11.9637","0.0012","13.0055","0.0013","16.595","0.003","99.187","0.002","102.166","0.002","113.54","0.001","2226.7","0.5","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H46 B Cl5 Ga2 N6 S3 -","- C33 H46 B Cl5 Ga2 N6 S3 -","- C66 H92 B2 Cl10 Ga4 N12 S6 -","2","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.072","0.0389","","","0.0717","0.0807","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515781","11.4967","0.0017","11.4967","0.0017","16.993","0.005","90","","90","","120","","1945.1","0.7","125","2","125","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H86 B2 Ga2 I2 N18 S6 -","- C42 H68 B2 Ga2 I2 N12 S6 -","- C42 H68 B2 Ga2 I2 N12 S6 -","1","0.166667","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0747","0.0653","","","0.1748","0.1792","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515782","11.241","0.007","11.857","0.007","15.252","0.009","110.582","0.009","107.533","0.009","94.069","0.009","1778.7","1.9","125","2","125","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H80 B2 Cl8 Ga4 N12 O2 S6 -","- C48 H80 B2 Cl8 Ga4 N12 O2 S6 -","- C48 H80 B2 Cl8 Ga4 N12 O2 S6 -","1","0.5","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.1247","0.0564","","","0.087","0.1019","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515783","11.6794","0.0005","16.382","0.0007","19.208","0.0008","90","","91.443","0.001","90","","3673.9","0.3","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 B Ga I2 N6 S3 -","- C27 H40 B Ga I2 N6 S3 -","- C108 H160 B4 Ga4 I8 N24 S12 -","4","1","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0686","0.0371","","","0.0758","0.0857","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515784","18.8235","0.0011","18.8235","0.0011","18.8235","0.0011","90","","90","","90","","6669.6","0.7","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","FeBTT","","","- C24 H8 Cl Fe4 N32 O4 -","- C24 H8 Cl Fe4 N32 O4 -","- C72 H24 Cl3 Fe12 N96 O12 -","3","0.0625","","Sumida, Kenji; Horike, Satoshi; Kaye, Steven S.; Herm, Zoey R.; Queen, Wendy L.; Brown, Craig M.; Grandjean, Fernande; Long, Gary J.; Dailly, Anne; Long, Jeffrey R.","Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal‒organic framework (Fe-BTT) discovered via high-throughput methods","Chemical Science","2010","1","2","184","","10.1039/c0sc00179a","","","1.54178","CuKα","","0.0387","0.0353","","","0.0971","0.099","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515785","8.932","0.0001","12.45","0.0002","22.583","0.0004","93.679","0.0009","100.549","0.0012","98.64","0.0011","2429.96","0.07","120","2","120","2","","","","","","","Phil Gale","4","P 1","P 1","1","","","","- C104 H151 N11 O10 -","- C104 H151 N11 O10 -","- C104 H151 N11 O10 -","1","1","","Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E.","Acyclic indole and carbazole-based sulfate receptors","Chemical Science","2010","1","2","215","","10.1039/c0sc00202j","","","0.71073","MoKα","","0.0811","0.0613","","","0.1183","0.1288","","","","","","1.229","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515786","14.786","0.0006","17.7836","0.0006","25.6491","0.001","90","","103.512","0.002","90","","6557.7","0.4","120","2","120","2","","","","","","","Jenny Hiscock","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H99 N10 O7 P -","- C67 H99 N10 O7 P -","- C268 H396 N40 O28 P4 -","4","1","","Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E.","Acyclic indole and carbazole-based sulfate receptors","Chemical Science","2010","1","2","215","","10.1039/c0sc00202j","","","0.71073","MoKα","","0.2672","0.1595","","","0.2338","0.2775","","","","","","1.191","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515787","8.7802","0.0001","16.9156","0.0004","22.1638","0.0005","88.1703","0.0011","85.7351","0.0012","82.7653","0.0013","3255.72","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H98 N10 O7 S -","- C67 H98 N10 O7 S -","- C134 H196 N20 O14 S2 -","2","1","","Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E.","Acyclic indole and carbazole-based sulfate receptors","Chemical Science","2010","1","2","215","","10.1039/c0sc00202j","","","0.71073","MoKα","","0.1087","0.0739","","","0.163","0.1836","","","","","","1.007","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515788","9.5228","0.0013","7.4316","0.0011","9.7945","0.0014","90","","103.092","0.003","90","","675.14","0.17","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H19 O4 P Si -","- C9 H19 O4 P Si -","- C18 H38 O8 P2 Si2 -","2","1","","Uraguchi, Daisuke; Ito, Takaki; Nakamura, Shinji; Ooi, Takashi","Catalytic asymmetric hydrophosphonylation of ynones","Chemical Science","2010","1","4","488","","10.1039/c0sc00268b","","","0.71073","MoKα","","0.0412","0.0388","","","0.0968","0.099","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515789","17.1243","0.001","17.1243","","4.1859","0.0009","90","","90","","90","","1227.5","0.3","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","CuSePh","","","- C6 H5 Cu Se -","- C6 H5 Cu Se -","- C48 H40 Cu8 Se8 -","8","1","","Low, Kam-Hung; Li, Cheng-Hui; Roy, Vellaisamy A. L.; Chui, Stephen Sin-Yin; Chan, Sharon Lai-Fung; Che, Chi-Ming","Homoleptic copper(i) phenylselenolate polymer as a single-source precursor for Cu2Se nanocrystals. Structure, photoluminescence and application in field-effect transistor","Chemical Science","2010","1","4","515","","10.1039/c0sc00212g","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06999","","1.4","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515790","16.2608","0.0016","16.2608","0.0016","34.648","0.005","90","","90","","90","","9161.4","1.8","167","2","167","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C50 H58 O4.5 P -","- C50 H58 O4.5 P -","- C400 H464 O36 P8 -","8","1","","Rueping, Magnus; Theissmann, Thomas","Asymmetric Brønsted acid catalysis in aqueous solution","Chemical Science","2010","1","4","473","","10.1039/c0sc00206b","","","0.71073","MoKα","","0.0993","0.0758","","","0.1158","0.1214","","","","","","1.296","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515791","25.774","0.009","17.105","0.004","22.731","0.007","90","","121.38","0.02","90","","8555","5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C48.5 H29 Cl O4 P Pd0.25 -","- C48.5 H29 Cl O4 P Pd0.25 -","- C388 H232 Cl8 O32 P8 Pd2 -","8","2","","Rueping, Magnus; Theissmann, Thomas","Asymmetric Brønsted acid catalysis in aqueous solution","Chemical Science","2010","1","4","473","","10.1039/c0sc00206b","","","0.71073","MoKα","","0.4924","0.2523","","","0.4892","0.6271","","","","","","0.998","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515792","19.959","0.005","19.89","0.005","13.407","0.003","90","","90","","90","","5322","2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H22.32 F2 N2 O97 Si48 -","- C10 H22.32 F2 N2 O97 Si48 -","- C20 H44.64 F4 N4 O194 Si96 -","2","0.25","","Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E.","Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites","Chemical Science","2010","1","4","483","","10.1039/c0sc00178c","","","0.7749","synchrotron","","0.1416","0.0735","","","0.1857","0.2133","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515793","13.824","","17.42","","5.052","","90","","90","","90","","1216.59","","150","2","150","2","","","","","","","","2","C m c 21","C 2c -2","36","(bmIm)-Theta-1","[bmIm]-Theta-1","","- O16 Si8 -","- O16 Si8 -","- O48 Si24 -","3","0.375","","Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E.","Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites","Chemical Science","2010","1","4","483","","10.1039/c0sc00178c","","","0.7749","synchrotron","","0.1272","0.104","","","0.2693","0.2851","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515794","14.3831","0.0017","10.975","0.0013","19.628","0.002","90","","95.579","0.002","90","","3083.7","0.6","90","2","90","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C68 H88 Cl2 Ge2 O2 -","- C68 H88 Cl2 Ge2 O2 -","- C136 H176 Cl4 Ge4 O4 -","2","0.25","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0696","0.0543","","","0.1459","0.1511","","","","","","1.071","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515795","14.908","0.004","11.003","0.003","19.38","0.005","90","","98.493","0.004","90","","3144.1","1.5","90","2","90","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C72 H84 Cl2 Sn2 -","- C74 H84 Cl2 Sn2 -","- C148 H168 Cl4 Sn4 -","2","0.25","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.1096","0.0792","","","0.2301","0.2419","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515796","12.753","0.003","11.666","0.003","23.95","0.005","90","","90.305","0.003","90","","3563.1","1.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H102 Ge2 Sn2 -","- C77.04 H101.04 Ge2 Sn2 -","- C154.08 H202.08 Ge4 Sn4 -","2","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0809","0.0706","","","0.1683","0.1712","","","","","","1.214","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515797","12.915","0.0008","45.098","0.003","22.5681","0.0014","90","","98.67","0.001","90","","12994.4","1.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H92.5 Ge2 O0.25 Si2 -","- C67 H92.5 Ge2 O0.25 Si2 -","- C536 H740 Ge16 O2 Si16 -","8","2","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.1435","0.0787","","","0.1695","0.1932","","","","","","1.05","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515798","12.7007","0.0004","11.7079","0.0004","24.3198","0.0008","90","","90.138","0.001","90","","3616.3","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H106 Si2 Sn2 -","- C80 H106 Si2 Sn2 -","- C160 H212 Si4 Sn4 -","2","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0287","0.024","","","0.0638","0.066","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515799","10.851","0.002","12.507","0.002","13.88","0.003","96.444","0.003","97.785","0.003","114.634","0.003","1666.5","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H94 O2 Sn2 -","- C76 H94 O2 Sn2 -","- C76 H94 O2 Sn2 -","1","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0662","0.0623","","","0.1678","0.1696","","","","","","1.163","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515800","10.5215","0.0006","12.0825","0.0007","15.337","0.0009","103.218","0.001","107.001","0.001","91.541","0.001","1805.9","0.18","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C82 H106 Sn2 -","- C82 H106 Sn2 -","- C82 H106 Sn2 -","1","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0441","0.0328","","","0.093","0.1041","","","","","","0.767","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515801","15.153","0.004","22.6","0.006","26.212","0.007","90","","100.842","0.004","90","","8816","4","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C203 H284 Ge4 -","- C203 H284 Ge4 -","- C406 H568 Ge8 -","2","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.1798","0.0974","","","0.2632","0.2985","","","","","","1.151","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515802","15.1577","0.001","22.7946","0.0015","36.174","0.003","75.115","0.001","84.218","0.001","78.732","0.001","11829.5","1.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C84.6667 H123.6667 O0.16667 Sn2 -","- C84.6667 H123.667 O0.166667 Sn2 -","- C508 H742 O Sn12 -","6","3","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.1483","0.0716","","","0.1733","0.198","","","","","","0.955","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515803","20.3965","0.0016","15.7884","0.0013","17.1574","0.0014","90","","90","","90","","5525.2","0.8","90","2","90","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C60 H72 Cl4 Sn2 -","- C60 H72 Cl4 Sn2 -","- C240 H288 Cl16 Sn8 -","4","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0691","0.0568","","","0.1251","0.1304","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515804","11.3422","0.0006","12.9163","0.0006","15.1478","0.0011","112.053","0.001","103.247","0.001","103.156","0.001","1877.18","0.19","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H106 Cl2 Si2 Sn2 -","- C80 H106 Cl2 Si2 Sn2 -","- C80 H106 Cl2 Si2 Sn2 -","1","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0312","0.0295","","","0.08","0.0813","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515805","23.035","0.004","10.8053","0.0017","27.61","0.004","90","","98.801","0.002","90","","6791.2","1.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H94 Cl2 O2 Sn2 -","- C76 H94 Cl2 O2 Sn2 -","- C304 H376 Cl8 O8 Sn8 -","4","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0646","0.0534","","","0.1407","0.1463","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515806","11.9294","0.0005","18.4084","0.0008","20.7414","0.0009","114.657","0.002","105.431","0.002","90.806","0.002","3949.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H122 Cl0.13 Ge2 I1.87 -","- C84 H122 Cl0.13 Ge2 I1.87 -","- C168 H244 Cl0.26 Ge4 I3.74 -","2","1","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0948","0.0542","","","0.1301","0.1423","","","","","","1.062","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515807","16.5067","0.0005","9.4895","0.0003","26.1959","0.0007","90","","108.267","0.001","90","","3896.6","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H61 Cl Sn -","- C42 H61 Cl Sn -","- C168 H244 Cl4 Sn4 -","4","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0821","0.0738","","","0.1904","0.197","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515808","11.4346","0.0013","12.9085","0.0015","15.1952","0.0017","111.709","0.002","103.674","0.002","103.032","0.002","1899.2","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H106 Cl1.7 Ge2 I0.3 Sn2 -","- C80 H106 Cl1.7 Ge2 I0.3 Sn2 -","- C80 H106 Cl1.7 Ge2 I0.3 Sn2 -","1","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0536","0.0403","","","0.1078","0.1142","","","","","","1.074","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515809","10.129","0.0006","18.6652","0.0011","21.536","0.0013","75.478","0.003","88.638","0.003","78.94","0.003","3867","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H52 N3 O6.5 Si2 -","- C35 H52 N3 O6.5 Si2 -","- C140 H208 N12 O26 Si8 -","4","2","","Goldup, Stephen M.; Leigh, David A.; McBurney, Roy T.; McGonigal, Paul R.; Plant, Andrew","Ligand-assisted nickel-catalysed sp3–sp3 homocoupling of unactivated alkyl bromides and its application to the active template synthesis of rotaxanes","Chemical Science","2010","1","3","383","","10.1039/c0sc00279h","","","0.71073","MoKα","","0.0591","0.0503","","","0.1215","0.1284","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515810","14.3987","0.0007","10.4231","0.0005","28.2627","0.0015","90","","98.277","0.001","90","","4197.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H65 N2 P2 V -","- C44.5 H65 N2 P2 V -","- C178 H260 N8 P8 V4 -","4","1","","Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.","Intermolecular C–H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex","Chemical Science","2010","1","3","351","","10.1039/c0sc00201a","","","0.71073","MoKα","","0.0405","0.0333","","","0.0861","0.0906","","","","","","1.032","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515811","32.471","0.006","10.7761","0.0018","28.001","0.004","90","","95.454","0.007","90","","9753","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H155 N5 P6 V2 -","- C100 H155 N5 P6 V2 -","- C400 H620 N20 P24 V8 -","4","0.5","","Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.","Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex","Chemical Science","2010","1","3","351","","10.1039/c0sc00201a","","","0.71073","MoKα","","0.0599","0.0384","","","0.0904","0.101","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515812","18.1601","0.0005","19.1808","0.0005","20.2261","0.0005","90","","90","","90","","7045.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H50 N P2 V -","- C38 H50 N P2 V -","- C304 H400 N8 P16 V8 -","8","1","","Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.","Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex","Chemical Science","2010","1","3","351","","10.1039/c0sc00201a","","","0.41328","synchrotron","","0.044","0.0319","","","0.0795","0.0876","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515813","33.636","0.0003","11.4193","0.0005","18.0125","0.0009","90","","90","","90","","6918.6","0.5","150","1","150","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C29 H34 Cl2 F6 N2 O6 Pd2 -","- C29 H34 Cl2 F6 N2 O6 Pd2 -","- C232 H272 Cl16 F48 N16 O48 Pd16 -","8","2","","Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M.","Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate","Chemical Science","2010","1","3","331","","10.1039/c0sc00231c","","","0.71073","MoKα","","0.0898","0.0546","","","0.1166","0.1359","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515814","27.0838","0.0008","16.8253","0.0006","14.3465","0.0004","90","","121.236","0.0015","90","","5589.9","0.3","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 F6 N2 O6 Pd2 -","- C24 H20 F6 N2 O6 Pd2 -","- C192 H160 F48 N16 O48 Pd16 -","8","1","","Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M.","Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate","Chemical Science","2010","1","3","331","","10.1039/c0sc00231c","","","0.71073","MoKα","","0.0928","0.0501","","","0.12","0.1374","","","","","","0.983","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515815","6.9199","0.0007","16.655","0.0016","18.415","0.0018","90","","90","","90","","2122.3","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09188a","","","- C24 H24 N2 O7 -","- C24 H24 N2 O7 -","- C96 H96 N8 O28 -","4","1","","Krenske, Elizabeth H.; Houk, K. N.; Lohse, Andrew G.; Antoline, Jennifer E.; Hsung, Richard P.","Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","3","387","392","10.1039/C0SC00280A","","","0.71073","MoKα","","0.0452","0.032","","","0.0738","0.0813","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515816","6.7539","0.0011","19.324","0.003","21.197","0.004","90","","94.231","0.003","90","","2758.9","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","09189a","","","- C32 H32 N2 O7 -","- C32 H32 N2 O7 -","- C128 H128 N8 O28 -","4","2","","Krenske, Elizabeth H.; Houk, K. N.; Lohse, Andrew G.; Antoline, Jennifer E.; Hsung, Richard P.","Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","3","387","392","10.1039/C0SC00280A","","","0.71073","MoKα","","0.1235","0.0696","","","0.1454","0.1777","","","","","","1.083","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515817","11.66","0.003","21.626","0.006","8.49","0.002","90","","90","0.02","90","","2140.8","1","123","1","123","1","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 As5 Cl3 Cu3 Fe N -","- C12 H18 As5 Cl3 Cu3 Fe N -","- C48 H72 As20 Cl12 Cu12 Fe4 N4 -","4","1","","Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred","The potential of a cyclo-As5 ligand complex in coordination chemistry","Chemical Science","2010","1","3","337","","10.1039/c0sc00254b","","x-ray","0.71073","MoKα","","0.0464","0.0427","","","0.1015","0.103","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515818","11.8229","0.0004","21.7908","0.0008","8.6497","0.0002","90","","90.118","0.002","90","","2228.42","0.12","123","0.1","123","0.1","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 As5 Br3 Cu3 Fe N -","- C12 H18 As5 Br3 Cu3 Fe N -","- C48 H72 As20 Br12 Cu12 Fe4 N4 -","4","1","","Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred","The potential of a cyclo-As5 ligand complex in coordination chemistry","Chemical Science","2010","1","3","337","","10.1039/c0sc00254b","","x-ray","1.54178","CuKα","","0.0472","0.0381","","","0.0839","0.0889","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515819","8.4256","0.0006","10.9119","0.0008","11.482","0.0009","71.256","0.007","81.825","0.006","78.273","0.006","975.42","0.13","123","1","123","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C10 H15 As5 Cu2 Fe I2 -","- C10 H15 As5 Cu2 Fe I2 -","- C20 H30 As10 Cu4 Fe2 I4 -","2","1","","Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred","The potential of a cyclo-As5 ligand complex in coordination chemistry","Chemical Science","2010","1","3","337","","10.1039/c0sc00254b","","x-ray","1.54178","CuKα","","0.0485","0.0337","","","0.0711","0.0727","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515820","15.6513","0.0002","11.7371","0.0003","24.53","0.0005","90","","90","","90","","4506.18","0.16","123","0.1","123","0.1","","","","","","","see text","7","P n m a","-P 2ac 2n","62","","","","- C11 H17 As5 Cl2 Cu2 Fe I2 -","- C11 H17 As5 Cl2 Cu2 Fe I2 -","- C88 H136 As40 Cl16 Cu16 Fe8 I16 -","8","1","","Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred","The potential of a cyclo-As5 ligand complex in coordination chemistry","Chemical Science","2010","1","3","337","","10.1039/c0sc00254b","","x-ray","1.54184","CuKα","","0.0464","0.0322","","","0.0741","0.0799","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515821","11.892","0.009","15.074","0.011","9.64","0.007","90","","90","","90","","1728","2","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H24 Cl2 Cu N3 -","- C15 H24 Cl2 Cu N3 -","- C60 H96 Cl8 Cu4 N12 -","4","1","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0442","0.033","","","0.0756","0.0805","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515822","12.3103","0.0014","15.3429","0.0017","9.6916","0.0011","90","","90","","90","","1830.5","0.4","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H24 Br2 Cu N3 -","- C15 H24 Br2 Cu N3 -","- C60 H96 Br8 Cu4 N12 -","4","1","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0374","0.0266","","","0.0547","0.0576","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515823","7.165","0.0006","17.7756","0.0014","15.0327","0.0012","90","","99.274","0.001","90","","1889.6","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cu I2 N3 -","- C15 H24 Cu I2 N3 -","- C60 H96 Cu4 I8 N12 -","4","1","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0367","0.0259","","","0.0615","0.0644","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515824","12.47","0.002","15.254","0.003","9.07","0.0017","90","","90","","90","","1725.3","0.5","300","2","300","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H24 Cl2 Cu N3 O -","- C14 H24 Cl2 Cu N3 O -","- C56 H96 Cl8 Cu4 N12 O4 -","4","1","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0496","0.0455","","","0.1358","0.1419","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515825","15.441","0.007","16.225","0.007","16.686","0.008","66.117","0.007","83.242","0.008","70.542","0.008","3603","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cu I2 N3 -","- C14 H22 Cu I2 N3 -","- C112 H176 Cu8 I16 N24 -","8","4","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0971","0.0508","","","0.1291","0.1489","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515826","4.716","0.0003","27.833","0.002","10.8881","0.0007","90","","96.103","0.007","90","","1421.08","0.17","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","coordination pillared layer strcuture","coordination pillared layer strcuture","","- C11 H6 Cu N3 O4 -","- C11 H6 Cu N3 O4 -","- C44 H24 Cu4 N12 O16 -","4","1","","Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu","Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer","Chemical Science","2010","1","3","315","","10.1039/c0sc00272k","powder diffraction","","0.80092","synchrotron","","","","","","","","","0.0456","1.5416","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515827","4.651","0.002","34.683","0.004","10.812","0.001","90","","95.8","0.02","90","","1735.2","0.8","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","coordination pillared layer strcuture","","- C12 H6 Cu N5 O4 -","- C12 H6 Cu N5 O4 -","- C48 H24 Cu4 N20 O16 -","4","1","","Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu","Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer","Chemical Science","2010","1","3","315","","10.1039/c0sc00272k","powder diffraction","","0.80101","synchrotron","","","","","","","","","0.0362","1.3685","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515828","4.7331","0.00016","19.9244","0.0004","10.8678","0.0003","90","","96.009","0.004","90","","1019.25","0.05","390","","390","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","coordination pillared layer strcuture","","- C8 H4 Cu N3 O4 -","- C8 H4 Cu N3 O4 -","- C32 H16 Cu4 N12 O16 -","4","1","","Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu","Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer","Chemical Science","2010","1","3","315","","10.1039/c0sc00272k","powder diffraction","","0.80092","synchrotron","","","","","","","","","0.04992","1.0948","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515829","13.6816","0.0008","14.9382","0.0008","19.8125","0.0012","100.854","0.004","103.727","0.004","109.497","0.004","3546.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78.5 H79 Co N4 O3.5 -","- C78.5 H79 Co N4 O3.5 -","- C157 H158 Co2 N8 O7 -","2","1","","McGuire Jr., Robert; Dogutan, Dilek K.; Teets, Thomas S.; Suntivich, Jin; Shao-Horn, Yang; Nocera, Daniel G.","Oxygen reduction reactivity of cobalt(ii) hangman porphyrins","Chemical Science","2010","1","3","411","","10.1039/c0sc00281j","","","1.54178","CuKα","","0.1593","0.1232","","","0.333","0.3578","","","","","","1.218","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515830","10.6855","0.0004","7.9692","0.0003","21.0861","0.0008","90","","102.213","0.002","90","","1754.95","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Sampath, Magesh; Loh, Teck-Peng","Highly enantio-, regio- and diastereo-selective one-pot [2 + 3]-cycloaddition reaction via isomerization of 3-butynoates to allenoates,","Chemical Science","2010","1","6","739","","10.1039/c0sc00123f","","","0.71073","MoKα","","0.0795","0.0572","","","0.1778","0.2204","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515831","5.0359","0.00003","7.07342","0.00004","12.65425","0.00006","90","","90","","90","","450.757","0.004","293","","293","","101","","101","","","","","4","P b c m","-P 2c 2b","57","","","","- Bi Fe2 Mn O6 -","- Bi Fe2 Mn O6 -","- Bi4 Fe8 Mn4 O24 -","4","0.5","","Yang, Tao; Abakumov, Artem M.; Hadermann, Joke; Van Tendeloo, Gustaaf; Nowik, Israel; Stephens, Peter W.; Hemberger, Joachim; Tsirlin, Alexander A.; Ramanujachary, Kandalam V.; Lofland, Samuel; Croft, Mark; Ignatov, Alexander; Sun, Junliang; Greenblatt, Martha","BiMnFe2O6, a polysynthetically twinned hcp MO structure","Chemical Science","2010","1","6","751","","10.1039/c0sc00348d","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515832","16.3194","0.0013","10.7454","0.0005","22.9601","0.0017","90","","97.397","0.006","90","","3992.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 Fe2 N4 O -","- C43 H60 Fe2 N4 O -","- C172 H240 Fe8 N16 O4 -","4","1","","Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot","N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules,","Chemical Science","2010","1","6","697","","10.1039/c0sc00451k","","","0.71073","MoKα","","0.1363","0.0981","","","0.2727","0.3049","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515833","15.253","0.002","9.8425","0.0017","16.706","0.002","90","","95.195","0.011","90","","2497.7","0.6","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 Fe N3 -","- C26 H39 Fe N3 -","- C104 H156 Fe4 N12 -","4","1","","Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot","N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules,","Chemical Science","2010","1","6","697","","10.1039/c0sc00451k","","","0.71073","MoKα","","0.1205","0.0482","","","0.0712","0.0858","","","","","","0.828","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515834","12.1007","0.0016","17.09","0.002","11.5086","0.0013","90","","97.616","0.01","90","","2359","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Fe N2 O2 -","- C25 H36 Fe N2 O2 -","- C100 H144 Fe4 N8 O8 -","4","1","","Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot","N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules,","Chemical Science","2010","1","6","697","","10.1039/c0sc00451k","","","0.71073","MoKα","","0.1129","0.0474","","","0.0599","0.0719","","","","","","0.829","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515835","9.9447","0.0019","11.839","0.002","11.991","0.002","117.625","0.006","92.392","0.009","99.186","0.008","1223.9","0.4","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H44 P2 -","- C24 H44 P2 -","- C48 H88 P4 -","2","1","","Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J.","Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene","Chemical Science","2010","1","6","723","","10.1039/c0sc00276c","","","0.71073","MoKα","","0.0452","0.0404","","","0.1045","0.1089","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515836","9.1553","0.0015","19.646","0.003","15.159","0.003","90","","101.766","0.005","90","","2669.3","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Cl2 P2 Pd -","- C24 H44 Cl2 P2 Pd -","- C96 H176 Cl8 P8 Pd4 -","4","1","","Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J.","Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene","Chemical Science","2010","1","6","723","","10.1039/c0sc00276c","","","0.71073","MoKα","","0.0354","0.0315","","","0.071","0.0738","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515837","7.722","0.002","15.101","0.004","24.95","0.007","90.779","0.007","97.485","0.009","92.145","0.01","2882.1","1.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 B2 F8 P2 -","- C24 H46 B2 F8 P2 -","- C96 H184 B8 F32 P8 -","4","2","","Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J.","Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene","Chemical Science","2010","1","6","723","","10.1039/c0sc00276c","","","0.71073","MoKα","","0.1119","0.0953","","","0.2107","0.2225","","","","","","0.993","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515838","10.6909","0.0019","10.6557","0.0016","12.547","0.002","90","","110.269","0.004","90","","1340.8","0.4","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H41 N O9 -","- C26 H41 N O9 -","- C52 H82 N2 O18 -","2","1","","Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W.","Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids","Chemical Science","2010","1","5","637","","10.1039/c0sc00317d","","","0.71073","MoKα","","0.0535","0.0466","","","0.102","0.1082","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515839","5.9601","0.001","10.917","0.0017","20.891","0.004","90","","94.816","0.004","90","","1354.5","0.4","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H41 N O9 -","- C26 H41 N O9 -","- C52 H82 N2 O18 -","2","1","","Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W.","Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids","Chemical Science","2010","1","5","637","","10.1039/c0sc00317d","","","0.71073","MoKα","","0.0453","0.043","","","0.1044","0.1061","","","","","","1.108","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515840","10.5979","0.0011","11.4345","0.0012","23.237","0.002","90","","90","","90","","2815.9","0.5","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O9 -","- C26 H41 N O9 -","- C104 H164 N4 O36 -","4","1","","Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W.","Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids","Chemical Science","2010","1","5","637","","10.1039/c0sc00317d","","","0.71073","MoKα","","0.0502","0.0462","","","0.1224","0.1259","","","","","","1.086","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515841","13.5873","0.0014","6.9161","0.0007","15.7114","0.0017","90","","98.786","0.002","90","","1459.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Br N4 O4.5 -","- C12 H16 Br N4 O4.5 -","- C48 H64 Br4 N16 O18 -","4","2","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0437","0.0346","","","0.0795","0.0829","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515842","6.7838","0.0007","8.118","0.0009","12.9579","0.0014","90","","100.117","0.002","90","","702.51","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Br2 N4 O3 -","- C12 H12 Br2 N4 O3 -","- C24 H24 Br4 N8 O6 -","2","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0243","0.0227","","","0.0488","0.0491","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515843","6.1269","0.0007","6.8919","0.0009","29.087","0.004","90","","90","","90","","1228.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br N4 O3 -","- C11 H11 Br N4 O3 -","- C44 H44 Br4 N16 O12 -","4","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0515","0.0464","","","0.1115","0.1133","","","","","","1.161","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515844","8.4061","0.0009","9.2037","0.001","17.3522","0.0018","90","","90","","90","","1342.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Br N2 O4 -","- C11 H13 Br N2 O4 -","- C44 H52 Br4 N8 O16 -","4","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0241","0.0224","","","0.0556","0.0561","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515845","10.3843","0.0011","10.7461","0.0011","14.0947","0.0015","90","","90","","90","","1572.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br N4 O4 -","- C14 H19 Br N4 O4 -","- C56 H76 Br4 N16 O16 -","4","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0328","0.0277","","","0.0625","0.0643","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515846","9.2556","0.0009","8.0917","0.0008","11.7613","0.0012","90","","91.799","0.002","90","","880.41","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N2 O3 S -","- C17 H17 Br N2 O3 S -","- C34 H34 Br2 N4 O6 S2 -","2","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0282","0.0251","","","0.056","0.057","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515847","9.5341","0.0006","16.1645","0.0012","13.717","0.0008","90","","90.539","0.004","90","","2113.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Br2 Fe N8 -","- C16 H28 Br2 Fe N8 -","- C64 H112 Br8 Fe4 N32 -","4","1","","Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P.","Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes","Chemical Science","2010","1","5","615","","10.1039/c0sc00303d","","","0.71073","MoKα","","0.0845","0.0564","","","0.1574","0.1954","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515848","13.1775","0.0003","13.2415","0.0003","18.3584","0.0004","93.46","0.001","97.33","0.001","90.471","0.001","3170.97","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H80 B2 Fe N10 -","- C73 H80 B2 Fe N10 -","- C146 H160 B4 Fe2 N20 -","2","1","","Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P.","Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes","Chemical Science","2010","1","5","615","","10.1039/c0sc00303d","","","0.71073","MoKα","","0.0983","0.0698","","","0.1735","0.1928","","","","","","1.031","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515849","13.04","0.003","13.169","0.003","22.292","0.005","76.65","0.03","79.24","0.03","60.99","0.03","3244.7","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H76 B2 Fe N10 -","- C74 H76 B2 Fe N10 -","- C148 H152 B4 Fe2 N20 -","2","1","","Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P.","Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes","Chemical Science","2010","1","5","615","","10.1039/c0sc00303d","","","0.71073","MoKα","","0.0874","0.0612","","","0.1704","0.1831","","","","","","1.082","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515850","45.6638","0.0008","12.6323","0.0002","24.6196","0.0004","90","","98.831","0.001","90","","14033.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H76 B2 Fe N10 -","- C76 H76 B2 Fe N10 -","- C608 H608 B16 Fe8 N80 -","8","1","","Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P.","Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes","Chemical Science","2010","1","5","615","","10.1039/c0sc00303d","","","0.71073","MoKα","","0.0829","0.0563","","","0.1542","0.1653","","","","","","1.019","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515851","8.42","0.0004","10.445","0.0004","15.4972","0.0007","81.045","0.003","74.819","0.003","68.224","0.003","1218.9","0.1","160","1","160","1","","","","","","","","2","P -1","-P 1","2","","","","- C32 H30 -","- C32 H30 -","- C64 H60 -","2","1","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0821","0.053","","","0.1252","0.143","","","","","","1.067","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515852","8.3091","0.0002","10.524","0.0002","15.4592","0.0003","80.8186","0.0009","74.9937","0.0011","67.8783","0.001","1206.7","0.04","160","1","160","1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H29 N -","- C31 H29 N -","- C62 H58 N2 -","2","1","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0882","0.0558","","","0.1386","0.1591","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515853","10.1034","0.0004","14.8715","0.0006","17.8686","0.0007","74.014","0.003","75.146","0.003","78.92","0.002","2473.28","0.18","160","1","160","1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","2","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0845","0.0546","","","0.1239","0.1458","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515854","18.9732","0.0007","14.5707","0.0005","8.6223","0.0004","90","","90","","90","","2383.66","0.16","160","1","160","1","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C120 H112 N8 -","4","0.5","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0745","0.0485","","","0.113","0.1312","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515855","9.5378","0.0003","11.7657","0.0004","13.6855","0.0006","85.769","0.002","88.725","0.002","71.627","0.002","1453.51","0.09","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C66 H72 Cl4 O4 -","- C58 H54 O4 -","- C58 H54 O4 -","1","0.5","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0998","0.0661","","","0.172","0.1903","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515856","9.5501","0.0002","11.9607","0.0003","13.4618","0.0003","85.7591","0.0015","88.837","0.0013","71.1797","0.0013","1451.48","0.06","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C61 H61 Cl8 N O4 -","- C57 H53 N O4 -","- C57 H53 N O4 -","1","0.5","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.1006","0.0786","","","0.2264","0.2454","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515857","21.7475","0.0004","36.719","0.0011","12.9048","0.0007","90","","95.5386","0.001","90","","10257","0.7","160","1","160","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 O4 -","- C64 H58 O4 -","- C512 H464 O32 -","8","2","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.1904","0.0876","","","0.1709","0.21","","","","","","1.104","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515858","29.4698","0.0004","13.9924","0.0002","16.0684","0.0002","90","","102.496","0.0008","90","","6468.88","0.15","160","1","160","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C82 H70 O4 -","- C82 H70 O4 -","- C328 H280 O16 -","4","1","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.1338","0.0868","","","0.2297","0.2708","","","","","","1.153","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515859","35.6175","0.001","9.396","0.0003","14.925","0.0004","90","","92.4734","0.0018","90","","4990.2","0.3","160","1","160","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C66 H50 O4 -","- C66 H50 O4 -","- C264 H200 O16 -","4","1","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0807","0.0724","","","0.1797","0.189","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515860","12.9195","0.0003","26.1804","0.0007","13.8321","0.0003","90","","114.575","0.0012","90","","4254.73","0.18","160","1","160","1","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C52 H50 O4 -","- C52 H50 O4 -","- C208 H200 O16 -","4","2","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0911","0.0526","","","0.0998","0.1166","","","","","","1.091","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515861","37.295","0.004","37.295","0.004","37.295","0.004","90","","90","","90","","51874","10","150","2","150","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C32 H138 Cu4 F4 N12 O33 -","- C29.7667 H96 Cu4 F4 N12 O32.28 -","- C714.4 H2304 Cu96 F96 N288 O774.72 -","24","0.25","","Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy","Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry","Chemical Science","2010","1","1","62","","10.1039/c0sc00264j","","","1.5418","CuKα","","0.0592","0.0526","","","0.1495","0.1625","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515862","28.3688","0.0003","28.3688","0.0003","12.3891","0.0002","90","","90","","120","","8634.8","0.19","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C13 H44 Cu N6 O13 S2 -","- C12.5 H32 Cu N6 O10.5 S2 -","- C150 H384 Cu12 N72 O126 S24 -","12","1","","Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy","Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry","Chemical Science","2010","1","1","62","","10.1039/c0sc00264j","","","1.54178","CuKα","","0.1324","0.0909","","","0.2439","0.2694","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515863","13.8458","0.0015","22.974","0.003","13.2064","0.0015","90","","116.74","0.007","90","","3751.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 F24 N12 O4 P4 -","- C66 H76 F24 N12 O4 P4 -","- C132 H152 F48 N24 O8 P8 -","2","0.5","","Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser","Enabling tetracationic cyclophane production by trading templates","Chemical Science","2010","1","1","119","","10.1039/c0sc00176g","","","1.54178","CuKα","","0.0609","0.0498","","","0.1224","0.137","","","","","","1.104","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515864","7.3165","0.001","13.7561","0.0011","20.634","0.002","90","","97.195","0.008","90","","2060.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 F24 N4 P4 -","- C36 H32 F24 N4 P4 -","- C72 H64 F48 N8 P8 -","2","0.5","","Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser","Enabling tetracationic cyclophane production by trading templates","Chemical Science","2010","1","1","119","","10.1039/c0sc00176g","","","1.54178","CuKα","","0.1104","0.068","","","0.1683","0.1972","","","","","","0.982","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515865","14.258","0.003","18.699","0.004","23.046","0.005","90","","106.19","0.03","90","","5901","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64.5 H58 Cl3 N O8 U -","- C64.5 H58 Cl3 N O8 U -","- C258 H232 Cl12 N4 O32 U4 -","4","1","","Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius","Encapsulation of the uranyl dication","Chemical Science","2010","1","1","43","","10.1039/c0sc00116c","","","0.71073","MoKα","","0.0957","0.061","","","0.1602","0.1765","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515866","18.534","0.004","19.636","0.004","19.425","0.004","90","","97.62","0.03","90","","7007","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C73 H86 N2 O18 U -","- C73 H78 N2 O18 U -","- C292 H312 N8 O72 U4 -","4","1","","Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius","Encapsulation of the uranyl dication","Chemical Science","2010","1","1","43","","10.1039/c0sc00116c","","","0.71073","MoKα","","0.0838","0.0549","","","0.1264","0.1428","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515867","13.9209","0.0003","15.6412","0.0004","17.1341","0.0004","104.914","0.001","106.384","0.001","102.47","0.001","3286.93","0.14","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C71 H50 B F24 Ir N O P -","- C71 H50 B F24 Ir N O P -","- C142 H100 B2 F48 Ir2 N2 O2 P2 -","2","1","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0473","0.0324","","0.0447","0.0322","0.0311","","","","","","1.1021","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515868","13.5137","0.0006","19.4816","0.0009","27.1434","0.0011","90","","90","","90","","7146","0.5","123","","123","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C68.95 H68.7 B Cl1.1 F24 Ir N O P -","- C68.95 H68.7 B Cl1.1 F24 Ir N O P -","- C275.8 H274.8 B4 Cl4.4 F96 Ir4 N4 O4 P4 -","4","1","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0314","0.0264","","0.0343","0.0285","0.0279","","","","","","1.1252","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515869","44.28","0.002","12.7293","0.0006","25.6592","0.0011","90","","95.409","0.004","90","","14398.5","1.1","123","","123","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C72 H74 B F24 Ir N O2 P -","- C72 H74 B F24 Ir N O2 P -","- C576 H592 B8 F192 Ir8 N8 O16 P8 -","8","2","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0707","0.0442","","0.0667","0.0428","0.0409","","","","","","0.975","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515870","12.8218","0.0004","14.836","0.0005","18.8757","0.0006","96.898","0.002","99.557","0.002","95.874","0.002","3487.6","0.2","123","","123","","","","","","","","","8","P 1","P 1","1","","","","- C77 H56 B F24 Ir N O P -","- C77 H56 B F24 Ir N O P -","- C154 H112 B2 F48 Ir2 N2 O2 P2 -","2","2","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0334","0.0273","","0.0445","0.0307","0.0304","","","","","","0.9675","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515871","7.6503","0.0002","12.8616","0.0004","18.8654","0.0006","106.228","0.001","98.815","0.002","101.265","0.001","1704.86","0.09","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","4","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0446","0.0408","","0.0636","0.0472","0.0472","","","","","","1.1103","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515872","13.2952","0.0005","18.3006","0.0006","19.3162","0.0006","90","","98.362","0.002","90","","4649.9","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 B F24 Ir -","- C48 H36 B F24 Ir -","- C192 H144 B4 F96 Ir4 -","4","1","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0884","0.0424","","0.0718","0.0447","0.0447","","","","","","1.3459","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515925","8.349","0.003","5.2884","0.0017","9.007","0.003","90","","101.9","0.004","90","","389.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08185b","","","- C6 H7 Br O4 -","- C6 H7 Br O4 -","- C12 H14 Br2 O8 -","2","1","","Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A.","High Tg aliphatic polyesters by the polymerization of spirolactide derivatives","Polymer Chemistry","2010","1","6","870","","10.1039/c0py00029a","","","0.71073","MoKα","","0.0369","0.0316","","","0.0772","0.0814","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515926","5.7525","0.0012","7.0293","0.0015","7.8151","0.0016","90","","99.916","0.002","90","","311.29","0.11","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","08191a","","","- C6 H6 O4 -","- C6 H6 O4 -","- C12 H12 O8 -","2","1","","Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A.","High Tg aliphatic polyesters by the polymerization of spirolactide derivatives","Polymer Chemistry","2010","1","6","870","","10.1039/c0py00029a","","","0.71073","MoKα","","0.0359","0.0335","","","0.0921","0.0953","","","","","","1.065","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515927","16.1137","0.0008","8.8958","0.0004","22.983","0.0012","90","","90","","90","","3294.5","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N -","- C22 H19 N -","- C176 H152 N8 -","8","1","","Greenberg, Sharonna; Stephan, Douglas W.","Hydroamination as a route to nitrogen-containing oligomers","Polymer Chemistry","2010","1","8","1332","","10.1039/c0py00120a","","","0.71073","MoKα","","0.092","0.0566","","","0.148","0.1711","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515928","5.5976","0.0005","8.3168","0.0006","31.769","0.003","90","","92.784","0.004","90","","1477.2","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N -","- C20 H17 N -","- C80 H68 N4 -","4","1","","Greenberg, Sharonna; Stephan, Douglas W.","Hydroamination as a route to nitrogen-containing oligomers","Polymer Chemistry","2010","1","8","1332","","10.1039/c0py00120a","","","0.71073","MoKα","","0.0661","0.041","","","0.0901","0.1009","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515929","11.2839","0.0005","11.8464","0.0005","15.6094","0.0007","90","","94.908","0.002","90","","2078.91","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N -","- C26 H29 N -","- C104 H116 N4 -","4","1","","Greenberg, Sharonna; Stephan, Douglas W.","Hydroamination as a route to nitrogen-containing oligomers","Polymer Chemistry","2010","1","8","1332","","10.1039/c0py00120a","","","0.71073","MoKα","","0.0631","0.0461","","","0.1198","0.132","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515948","25.394","0.002","7.3361","0.0007","6.313","0.0006","90","","98.11","0.002","90","","1164.31","0.18","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 N2 O4 Ti -","- C28 H26 N2 O4 Ti -","- C56 H52 N4 O8 Ti2 -","2","0.5","","Claffey, James; Deally, Anthony; Gleeson, Brendan; Hogan, Megan; Méndez, Luis Miguel Menéndez; Müller-Bunz, Helge; Patil, Siddappa; Wallis, Denise; Tacke, Matthias","Pseudo-halide derivatives of titanocene: synthesis and cytotoxicity studies.","Metallomics : integrated biometal science","2009","1","6","511","517","10.1039/b911753a","","","0.71073","MoKα","","0.0376","0.0363","","","0.0832","0.0838","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515949","14.6085","0.001","7.9381","0.0006","21.7937","0.0015","90","","98.048","0.001","90","","2502.4","0.3","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N2 O2 S2 Ti -","- C28 H26 N2 O2 S2 Ti -","- C112 H104 N8 O8 S8 Ti4 -","4","0.5","","Claffey, James; Deally, Anthony; Gleeson, Brendan; Hogan, Megan; Méndez, Luis Miguel Menéndez; Müller-Bunz, Helge; Patil, Siddappa; Wallis, Denise; Tacke, Matthias","Pseudo-halide derivatives of titanocene: synthesis and cytotoxicity studies.","Metallomics : integrated biometal science","2009","1","6","511","517","10.1039/b911753a","","","0.71073","MoKα","","0.0393","0.0351","","","0.0883","0.0914","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515997","34.2939","0.0013","12.9425","0.0005","28.6361","0.0011","90","","121.872","0.001","90","","10793.8","0.7","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[RCoCl][BF4]","","","- C56 H56 B Cl Co F4 N4 P4 -","- C56 H56 B Cl Co F4 N4 P4 -","- C448 H448 B8 Cl8 Co8 F32 N32 P32 -","8","1","","Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.","Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere","Energy & Environmental Science","2008","1","1","167","","10.1039/b805309j","","x-ray","0.71073","MoKα","","0.0634","0.0514","","","0.1372","0.1446","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515998","10.0584","0.0004","20.1715","0.0007","17.605","0.0006","90","","93.102","0.001","90","","3566.7","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[C34H37CoN5P2]2[BF4]","","","- C34 H37 B2 Co F8 N5 P2 -","- C34 H37 B2 Co F8 N5 P2 -","- C136 H148 B8 Co4 F32 N20 P8 -","4","1","","Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.","Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere","Energy & Environmental Science","2008","1","1","167","","10.1039/b805309j","","x-ray","0.71073","MoKα","","0.0449","0.0345","","","0.0838","0.0899","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516611","11.398","0.001","15.357","0.001","16.312","0.001","90","","90","","90","","2855.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C136 H112 N16 O24 -","8","1","","Griesbeck, Axel G.; Kramer, Wolfgang; Heinrich, Thomas; Lex, Johann","Photocyclization of N,N-phthaloylanthranilic amides coupled to ω-amino acids with increasing chain lengths","Photochemical & Photobiological Sciences","2002","1","4","237","","10.1039/b200448h","","","0.71073","MoKα","","0.0595","0.0403","","","0.091","0.0998","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516612","6.879","0.003","3.929","0.001","23.459","0.009","90","","90.35","0.04","90","","634","0.4","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","4-(3-Fluorostyryl)coumarin","","","- C17 H11 F O2 -","- C17 H11 F O2 -","- C34 H22 F2 O4 -","2","1","","Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam","Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state","Photochemical & Photobiological Sciences","2002","1","10","799","","10.1039/b204387d","","","1.5418","CuKα","","0.0482","0.0281","","","0.0556","0.0586","","","","","","0.451","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516613","17.057","0.003","8.229","0.003","18.261","0.003","90","","96.33","0.02","90","","2547.5","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-Styrylcoumarin","","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","2","","Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam","Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state","Photochemical & Photobiological Sciences","2002","1","10","799","","10.1039/b204387d","","","1.5418","CuKα","","0.0675","0.0448","","","0.1146","0.1338","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516614","8.464","0.002","25.375","0.004","10.154","0.002","90","","90.42","0.02","90","","2180.8","0.8","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","2","","Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst","Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide","Photochemical & Photobiological Sciences","2002","1","9","696","703","10.1039/b204569a","","","0.71073","MoKα","","0.0743","0.0459","","0.1069","0.093","","","","1.013","1.062","1.062","","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516615","14.56","0.004","6.584","0.002","20.801","0.005","90","","109.42","0.02","90","","1880.6","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","1","","Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst","Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide","Photochemical & Photobiological Sciences","2002","1","9","696","703","10.1039/b204569a","","","0.71073","MoKα","","0.2126","0.0531","","","0.0856","0.1176","","","","","","0.706","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516616","9.801","0.001","17.753","0.003","10.068","0.001","90","","91.02","0.01","90","","1751.5","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst","Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide","Photochemical & Photobiological Sciences","2002","1","9","696","703","10.1039/b204569a","","","0.71073","MoKα","","0.1424","0.0627","","","0.1196","0.1508","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516617","17.47","0.002","11.704","0.002","18.731","0.004","90","","90","","90","","3829.9","1.1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C184 H200 N8 O16 -","8","1","","Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst","Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide","Photochemical & Photobiological Sciences","2002","1","9","696","703","10.1039/b204569a","","","0.71073","MoKα","","0.1533","0.0656","","0.1715","0.135","","","","1.082","1.324","1.324","","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1517106","28.1808","","17.4764","","3.6978","","90","","96.658","","90","","1808.88","","","","","","","","","","","","see text","4","C 1 2/m 1","-C 2y","12","","","","- C H4 B3 O6 -","- C21 H4 B3 O6 -","- C84 H16 B12 O24 -","4","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517107","35.7342","","22.3206","","3.6909","","90","","90.014","","90","","2943.89","","","","","","","","","","","","see text","4","C 1 2/m 1","-C 2y","12","","","","- C8 H4 B3 O3 -","- C24 H12 B3 O3 -","- C96 H48 B12 O12 -","4","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517108","35.9717","","22.4102","","3.6868","","90","","90.259","","90","","2972.02","","","","","","","","","","","","see text","4","C 1 2/m 1","-C 2y","12","","","","- C6 H4 B3 O3 -","- C18 H12 B3 O3 -","- C72 H48 B12 O12 -","4","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517109","46.6585","","29.0485","","3.7052","","90","","93.864","","90","","5010.46","","","","","","","","","","","","see text","4","C 1 2/m 1","-C 2y","12","","","","- C60 H24 B6 O12 -","- C60 H24 B6 O12 -","- C120 H48 B12 O24 -","2","0.25","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517110","22.3206","","38.6604","","6.8195","","90","","90","","90","","5884.71","","","","","","","","","","","","see text","4","C m c m","-C 2c 2","63","","","","- C24 H12 B3 O3 -","- C24 H12 B3 O3 -","- C192 H96 B24 O24 -","8","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517111","22.4102","","22.4102","","3.4905","","90","","90","","120","","1518.13","","","","","","","","","","","","see text","4","P 6/m m m","-P 6 2","191","","","","- C6 H4 B O -","- C6 H4 B O -","- C36 H24 B6 O6 -","6","0.25","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517112","16.2172","","30.27","","3.6865","","90","","92.86","","90","","1807.43","","","","","","","","","","","","see text","4","C 1 2/m 1","-C 2y","12","","","","- C21 H6 B3 O6 -","- C21 H6 B3 O6 -","- C84 H24 B12 O24 -","4","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517113","60.3114","","37.583","","3.6711","","90","","92.477","","90","","8313.45","","","","","","","","","","","","see text","4","C 1 2/m 1","-C 2y","12","","","","- C72 H36 B6 O12 -","- C72 H36 B6 O12 -","- C144 H72 B12 O24 -","2","0.25","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517114","22.4102","","38.8156","","6.8263","","90","","90","","90","","5937.96","","","","","","","","","","","","see text","4","C m c m","-C 2c 2","63","","","","- C18 H12 B3 O3 -","- C18 H12 B3 O3 -","- C144 H96 B24 O24 -","8","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517115","22.4102","","22.4102","","6.0735","","90","","90","","120","","2641.56","","","","","","","","","","","","see text","4","P 63/m m c","-P 6c 2c","194","","","","- C6 H4 B O -","- C6 H4 B O -","- C72 H48 B12 O12 -","12","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517116","22.3206","","22.3206","","5.9366","","90","","90","","120","","2561.42","","","","","","","","","","","","see text","4","P 63/m m c","-P 6c 2c","194","","","","- C8 H4 B O -","- C8 H4 B O -","- C96 H48 B12 O12 -","12","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517117","17.4764","","30.27","","6.8195","","90","","90","","90","","3607.59","","","","","","","","","","","","see text","4","C m c m","-C 2c 2","63","","","","- C21 H6 B3 O6 -","- C21 H7 B3 O6 -","- C168 H56 B24 O48 -","8","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518606","6.229","","5.107","","13.5","","90","","97.27","","90","","426.003","","","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cl2 O5 Sb4 -","- Cl2 O5 Sb4 -","- Cl4 O10 Sb8 -","2","0.5","","Maja Edstrand","On the crystal structure of the antimony oxychloride Sb4O5Cl2 and isomorphous oxybromide","Acta Chemica Scandinavica","1947","1","","178","203","","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518607","6.593","","5.133","","13.43","","90","","97.89","","90","","450.194","","","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Br2 O5 Sb4 -","- Br2 O5 Sb4 -","- Br4 O10 Sb8 -","2","0.5","","Maja Edstrand","On the crystal structure of the antimony oxychloride Sb4O5Cl2 and isomorphous oxybromide","Acta Chemica Scandinavica","1947","1","","178","203","","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519005","9.47","0.002","7.93","0.001","9.865","0.001","90","","115.78","0.01","90","","667.1","0.19","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ba Ca H2 O8 P2 -","- Ba Ca H2 O8 P2 -","- Ba4 Ca4 H8 O32 P8 -","4","1","","Taher, L. B.; Chabchoub, S.; Smiri-Dogguy, L.","Investigation of mixed alkaline earth phosphates. Synthesis and crystal structure of CaBa(HPO4)2 : A new mixed alkaline earth hydrogenmonophosphate","Solid State Sciences","1999","1","","15","24","","","x-ray","0.71069","MoKα","","","0.0331","","","0.0858","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519006","13.678","0.002","10.318","0.003","17.357","0.003","90","","90","","90","","2449.6","0.9","","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H9 Al3 N O13 P3 -","- C2 H8 Al3 N O13 P3 -","- C16 H64 Al24 N8 O104 P24 -","8","1","","Soulard, M.; Patarin, J.; Marler, B.","Synthesis and structure of Mu-10 : a novel microporous hydroxyaluminophosphate (CH3)2NH2.Al3P3O12OH closely related to AlPO4-EN3","Solid State Sciences","1999","1","","37","53","","","x-ray","0.71073","MoKα","","","0.0422","","","0.1241","","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519007","37.824","0.008","9.813","0.002","16.679","0.003","90","","92.7","0.03","90","","6184","2","","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cu3 F K3 O16 P4 Zn2 -","- Cu3 F K3 O16 P4 Zn2 -","- Cu48 F16 K48 O256 P64 Zn32 -","16","2","","Massa, W.; Yakubovich, O. V.; Dem Yanetz, L. N.","New open framework in the structure of K3[Cu3FZn2(PO4)4]","Solid State Sciences","1999","1","","109","118","","","x-ray","0.71073","MoKα","","","0.0255","","","0.0572","","","","","","","0.806","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519008","12.021","0.001","17.918","0.003","6.874","0.0007","90","","90","","90","","1480.6","0.3","","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H16 Cu N2 O2 -","- C17 Cu N2 O2 -","- C68 Cu4 N8 O8 -","4","1","","Chen, B. H.; Yao, H. H.; Huang, W. T.; Chattopadhyay, P.; Lo, J. M.; Lu, T. H.","Syntheses and molecular structures of three Cu(II) complexes with tetradentate imine-phenols","Solid State Sciences","1999","1","","119","131","","","x-ray","0.7093","MoKα","","","0.043","","","0.069","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519009","9.7329","0.0009","17.187","0.002","11.338","0.001","90","","112.99","0.01","90","","1746","0.3","","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cu N2 O2 -","- C19 Cu N2 O2 -","- C76 Cu4 N8 O8 -","4","1","","Chen, B. H.; Yao, H. H.; Huang, W. T.; Chattopadhyay, P.; Lo, J. M.; Lu, T. H.","Syntheses and molecular structures of three Cu(II) complexes with tetradentate imine-phenols","Solid State Sciences","1999","1","","119","131","","","x-ray","0.7093","MoKα","","","0.064","","","0.077","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519010","18.888","0.002","10.3781","0.0007","19.93","0.001","90","","113.786","0.005","90","","3574.9","0.5","","","298","","","","","","","","","5","A 1 2/n 1","-A 2yab","15","","","","- C38 H40 Cu2 N4 O4 -","- C38 Cu2 N4 O4 -","- C152 Cu8 N16 O16 -","4","0.5","","Chen, B. H.; Yao, H. H.; Huang, W. T.; Chattopadhyay, P.; Lo, J. M.; Lu, T. H.","Syntheses and molecular structures of three Cu(II) complexes with tetradentate imine-phenols","Solid State Sciences","1999","1","","119","131","","","x-ray","0.7093","MoKα","","","0.047","","","0.069","","","","","","","","","","","has coordinates","209440","2020-10-21","18:00:00",""
"1519011","5.6085","0.0006","10.917","0.016","12.042","0.002","90","","90","","90","","737.3","1.1","","","294","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H4 Mn O8 V2 -","- Mn O8 V2 -","- Mn4 O32 V8 -","4","0.5","","M. Ishaque Khan; T. Hope; S. Tabassum","Synthesis, reactivity, x-ray structure and thermal study of the mixed-metal oxide hydrate [Mn(H2O)2V2O6]","Solid State Sciences","1999","1","","163","178","","","x-ray","0.71073","MoKα","","","0.0241","","","0.0623","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519012","11.843","0.008","13.717","0.008","10.287","0.005","108.11","0.04","99.42","0.05","66.52","0.04","1455.3","1.6","","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 K6 Mo2 O24 -","- C12 K6 Mo2 O24 -","- C24 K12 Mo4 O48 -","2","1","","Zhou, X.-H.; Xing, Y.-H.; Xu, J.-Q.; Li, D.-M.; Wang, R.-Z.; Liu, S.-Q.; Zeng, Q.-X.; Huang, X.-Y.","Mobybdenum(VI)-oxygen complex containing citrage ligand: synthesis and characterization of K6[Mo205(cit)2].5H20","Solid State Sciences","1999","1","","189","198","","","x-ray","0.71069","MoKα","","","0.034","","","0.054","","","","","","","1.77","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519013","8.2005","0.0009","8.2005","0.0009","8.2005","0.0009","90","","90","","90","","551.47","0.1","","","298","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl8 F13 Na2 Nb7 -","- Cl6.36 F12.6 Na1.872 Nb6.998 -","- Cl6.36 F12.6 Na1.872 Nb6.998 -","1","0.0208333","","Cordier, S.; Simon, A.","The first chlorofluoride in niobium cluster chemistry structure of the double salt : NaxNb7F(21-y)Cly (X = 2; y = 8)","Solid State Sciences","1999","1","","199","209","","","x-ray","0.71073","MoKα","","","0.033","","","0.041","","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519014","10.7292","0.0007","3.2597","0.0001","5.0579","0.0004","90","","105.713","0.006","90","","170.284","0.019","","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- D4 F2 N2 Sn -","- D4 F2 N2 Sn -","- D8 F4 N4 Sn2 -","2","0.25","","Reusch, U.; Schweda, R.","The transformation of Sn(ND3)2F4 into Sn(ND2)2F2z. Synthesis and neutron crystal structure determination of Sn(ND2)2F2","Solid State Sciences","1999","1","","233","243","","powder diffraction","neutron","","white","","","","","","","","","0.053","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519015","8.056","0.0002","10.365","0.0002","8.45","0.0002","90","","102.893","0.002","90","","687.79","0.03","","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- O9 Se2 V2 -","- O9 Se2 V2 -","- O36 Se8 V8 -","4","1","","Millet, P.; Galy, J.; Johnsson, M.","Crystal growth and structure of V2VSe2IVO9 ; comparison with V2Te209","Solid State Sciences","1999","1","","279","286","","","x-ray","0.71069","MoKα","","","0.0347","","","0.0802","","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519016","19.006","0.003","10.718","0.002","10.996","0.003","90","","98.99","0.02","90","","2212.4","0.8","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 O7 P2 -","- C16 H8 N2 O7 P2 -","- C64 H32 N8 O28 P8 -","4","1","","Hlel, F.; Smiri, L.","Synthesis and crystal structure of bis (2-phenylethylammonium) dihydrogendimphosphate, [C6H5(CH2)2NH3]2H2P2O7","Solid State Sciences","1999","1","","321","329","","","x-ray","0.71073","MoKα","","","0.056","","","0.191","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519017","14.2604","0.0001","11.5999","0.0002","18.3249","0.0003","90","","90.324","0.001","90","","3031.24","0.08","","","296","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H25 Al6 F3 N4 O26 P6 -","- C6 Al6 F3 N4 O27 P6 -","- C24 Al24 F12 N16 O108 P24 -","4","0.5","","Simon, N.; Loiseau, T.; Ferey, G.","Synthesis and crystal structure of MIL-27, a new oxyfluorinated three-dimensional framework metallophosphate obtained with aluminium in four, five and sixfold coordination and templated with the tris(2-aminoethyl)amine","Solid State Sciences","1999","1","","339","349","","","x-ray","0.71073","MoKα","","","0.0543","","","0.1489","","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519018","9.1227","0.0009","9.1227","0.0009","10.5811","0.0017","90","","90","","120","","762.62","0.16","","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ca3 Mn1.08 Ni0.92 O6 -","- Ca3 Mn1.08 Ni0.92 O6 -","- Ca18 Mn6.48 Ni5.52 O36 -","6","0.166667","","Bazuev, G. V.; Zubkov, V. G.; Berger, I. F.; Arbuzova, T. I.","Crystal structure and magnetic properties of a one dimensional complex oxide Ca3NiMnO6","Solid State Sciences","1999","1","","365","372","","powder diffraction","neutron","1.5147","","","","","","","","","","0.0296","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519021","5.361","0.003","7.029","0.003","8.743","0.004","69.4","0.02","89.02","0.03","88.78","0.04","308.3","0.3","","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Ca Na2 O7 P2 -","- Ca Na2 O7 P2 -","- Ca2 Na4 O14 P4 -","2","1","","Bennazha, J.; Boukhari, A.; Holt, E. M.","Synthesis and crystal structure of Na2CaP2O7","Solid State Sciences","1999","1","","373","380","","","x-ray","0.71073","MoKα","","","0.0445","","","0.0554","","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519022","10.281","0.001","11.083","0.001","9.307","0.002","103.83","0.01","108.56","0.01","68.11","0.01","924.1","0.2","","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H54 N8 O24 P6 -","- C12 N8 O24 P6 -","- C12 N8 O24 P6 -","1","0.5","","Marouani, H.; Rzaigui, M.","Synthesis and crystal structure of((NH3CH2CH2)3N)2P6O18.6H2O","Solid State Sciences","1999","1","","395","408","","","x-ray","0.71073","MoKα","","","0.028","","","0.034","","","","","","","5.19","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519023","14.983","0.001","14.983","0.001","15.54","0.001","90","","90","","90","","3488.6","0.4","","","293","","","","","","","","","3","P 43","P 4cw","78","","","","- Ba5 F19 In3 -","- Ba5 F19 In3 -","- Ba40 F152 In24 -","8","2","","de Kozak, A.; Dupont, N.; Gredin, P.; Riou, D.","The crystal structure of Ba5In3F19 : a new structural type in fluoride crystal chemistry","Solid State Sciences","1999","1","","409","419","","","x-ray","0.71073","MoKα","","","0.05","","","0.128","","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519024","8.5907","0.0005","11.3962","0.0008","44.49","0.003","90","","90","","90","","4355.6","0.5","","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- Ce2 Cu K Se6 -","- Ce2 Cu K Se6 -","- Ce32 Cu16 K16 Se96 -","16","0.5","","Klawitter, Y.; Nather, C.; Jeb, I.; Bensch, W.; Kanatzidis, M. G.","The superstructure of KCuCe2Se6 due to ordering of copper cations","Solid State Sciences","1999","1","","421","431","","","x-ray","0.71073","MoKα","","","0.0311","","","0.1081","","","","","","","1.21","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519025","7.247","0.0001","11.2851","0.0002","5.226","0.0001","90","","107.843","0.001","90","","406.841","0.012","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Bi Co O5 P -","- Bi Co O5 P -","- Bi4 Co4 O20 P4 -","4","1","","Ketatni, M.; Abraham, F.; Mentre, O.","Channel structure in the new BiCoPO5. Comparison with BiNiPO5. Crystal structure, lone pair localisation and infrared characterisation","Solid State Sciences","1999","1","","449","460","","powder diffraction","x-ray","1.5418","CuKα","","0.0214","","","","","","","0.0383","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519026","24.3557","0.0007","10.0135","0.0001","18.6388","0.0006","90","","92.37","0.002","90","","4541.9","0.2","","","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B Br16 H39 O18 Zr6 -","","","4","0.5","","Xie, X.; Hughbanks, T.","Isolation of a water-stable B-centered hexazirconium bromide cluster, trans-[(Zr6BBr12)Br4(H2O)3]3-","Solid State Sciences","1999","1","","463","471","","","x-ray","0.71073","MoKα","","","0.0395","","","0.0835","","","","","","","","","","","","176435","2020-10-21","18:00:00",""
"1519027","17.942","0.009","17.979","0.004","16.344","0.008","90","","90","","90","","5272","4","","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H68 Co N8 O6 Re6 S8 -","- C30 Co N8 O6 Re6 S8 -","- C120 Co4 N32 O24 Re24 S32 -","4","1","","Naumov, N. G.; Artemkina, S. B.; Virovets, A. V.; Fedorov, V. E.","Adjustment of dimensionality in covalent frameworks formed by Co2+ and rhenium cluster chalcocyanide [Re6S8(CN)6]4-","Solid State Sciences","1999","1","","473","482","","","x-ray","0.71073","MoKα","","","0.0331","","","0.07","","","","","","","0.789","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519028","20.036","0.002","20.036","0.002","20.036","0.002","90","","90","","90","","8043.3","1.4","","","295","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Br4 Cl13 H28 Hg O14 Ta6 -","- Br4 Cl13.2 Hg O9.3 Ta6 -","- Br32 Cl105.6 Hg8 O74.4 Ta48 -","8","0.0416667","","Brnicevic, N.; Vojnovic, M.; Antolic, S.; Kojic-Prodic, B.; Desnica-Frankovic, I. D.","Reaction of hexanuclear niobium and tantalum halide clusters with mercury(II) halides. II. Semiconducting compounds with [Ta6Cl12]3+ unit","Solid State Sciences","1999","1","","483","495","","","x-ray","0.71073","MoKα","","","0.048","","","0.051","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519029","14.697","0.006","14.733","0.005","14.238","0.005","96.6","0.03","109.77","0.03","65.69","0.03","2642.9","1.9","","","207","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H156 Cl4 Cr12 P10 S16 -","- C60 Cl4 Cr12 P10 S16 -","- C60 Cl4 Cr12 P10 S16 -","1","0.5","","Kamiguchi, S.; Imoto, H.; Saito, T.; Chihara, T.","Synthesis, structure, FAB mass spectrum, and magnetic property of a dodecanuclear cluster complex of chromium with hybrido ligands [Cr12S16(H)2(PEt3)10]","Solid State Sciences","1999","1","","497","508","","","x-ray","0.71073","MoKα","","","0.064","","","0.042","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519030","8.339","0.0017","13.259","0.003","56.023","0.011","90","","90","","90","","6194","2","","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- K12 Se35 Ta6 -","- K12 Se35 Ta6 -","- K48 Se140 Ta24 -","4","0.5","","Tougait, O.; Ibers, J. A.","New tantalum polychalcogenides with infinite anionic chains : K12Ta6Se35 and KTaTe3","Solid State Sciences","1999","1","","523","534","","","x-ray","0.71073","MoKα","","","0.039","","","0.076","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519031","7.7177","0.0015","13.826","0.003","30.981","0.006","90","","90.11","0.03","90","","3305.8","1.2","","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- K Ta Te3 -","- K Ta Te3 -","- K20 Ta20 Te60 -","20","5","","Tougait, O.; Ibers, J. A.","New tantalum polychalcogenides with infinite anionic chains : K12Ta6Se35 and KTaTe3","Solid State Sciences","1999","1","","523","534","","","x-ray","0.71073","MoKα","","","0.061","","","0.13","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519032","6.674","0.002","6.911","0.002","6.402","0.002","90","","103.87","0.01","90","","286.68","0.15","","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Be F4 Yb -","- Be F4 Yb -","- Be4 F16 Yb4 -","4","1","","Kohler, J.","Syntheses and structures of novel complex Yb(II) fluorides : YBeF4, YAlF5 and LiYbAlF6","Solid State Sciences","1999","1","","545","553","","","x-ray","0.71073","MoKα","","","0.0332","","","0.0812","","","","","","","1.226","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519033","13.803","0.003","13.803","0.003","7.013","0.003","90","","90","","90","","1336.1","0.7","","","293","","","","","","","","","3","I 4/m","-I 4","87","","","","- Al F5 Yb -","- Al2 F10.25 Yb2 -","- Al16 F82 Yb16 -","8","0.5","","Kohler, J.","Syntheses and structures of novel complex Yb(II) fluorides : YBeF4, YAlF5 and LiYbAlF6","Solid State Sciences","1999","1","","545","553","","","x-ray","0.71073","MoKα","","","0.0236","","","0.0478","","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519034","5.042","0.002","5.042","0.002","9.868","0.001","90","","90","","120","","217.25","0.12","","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Al F6 Li Yb -","- Al F6 Li Yb0.5 -","- Al2 F12 Li2 Yb -","2","0.166667","","Kohler, J.","Syntheses and structures of novel complex Yb(II) fluorides : YBeF4, YAlF5 and LiYbAlF6","Solid State Sciences","1999","1","","545","553","","","x-ray","0.71073","MoKα","","","0.022","","","0.0601","","","","","","","1.312","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519035","9.524","0.002","17.98","0.003","8.57","0.003","90","","90","","90","","1467.5","0.6","","","296","","","","","","","","","3","I m a 2","I 2 -2a","46","","","","- Ba Na2 Si4 -","- Ba Na2 Si4 -","- Ba8 Na16 Si32 -","8","1","","Huang, B.; Corbett, J. D.","Synthesis and structure of the Zintl compounds Na2BaTt4 (Tt = Si, Ge)","Solid State Sciences","1999","1","","555","565","","","x-ray","0.71073","MoKα","","","0.027","","","0.028","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519036","7.1057","0.0005","10.142","0.0006","6.5341","0.0005","90","","90","","90","","470.89","0.06","","","298","","","","","","","","","3","I m m m","-I 2 2","71","","","","- Mn Nb3 O6 -","- Mn Nb3 O6 -","- Mn4 Nb12 O24 -","4","0.25","","Hannerz, H.; Svensson, G.; Esmaeilzadeh, S.; Grins, J.","Structure and magnetic susceptibility of MnNb3O6","Solid State Sciences","1999","1","","567","575","","","x-ray","0.71069","MoKα","","","0.0148","","","0.0145","","","","","","","2.15","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519037","9.9304","0.0004","9.9304","0.0004","3.5243","0.0003","90","","90","","90","","347.54","0.04","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Nb5 Ni4 P4 -","- Nb5 Ni4 P4 -","- Nb10 Ni8 P8 -","2","0.125","","Charki, F.; Deputier, S.; Benard-Rocherulle, P.; Guerin, R.; Bouayed, M.; Le Beuze, A.; Saillard, J. Y.","An example of the coexistence of octahedral with tetrahedral metal clusters : the ternary phosphide Ni4Nb5P4. Structural and theoretical analyses","Solid State Sciences","1999","1","","607","622","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","0.056","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519038","9.2","0.002","9.289","0.003","12.84","0.002","82.71","0.02","84.07","0.02","82.83","0.02","1075.6","0.5","","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Br10 Re6 S4 -","- Br19.62 Re12 S8.38 -","- Br19.62 Re12 S8.38 -","1","0.5","","Perricone, A.; Slougui, A.; Perrin, A.","Rhenium octahedral clusters: the systems Re-S-Br and M-Re-S-Br (M = Na, K, Rb, Cs)","Solid State Sciences","1999","1","","657","666","","","x-ray","0.71073","MoKα","","","0.042","","","0.046","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519039","9.047","0.002","9.228","0.003","13.574","0.005","96.25","0.02","99.24","0.02","116.55","0.01","979.4","0.6","","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Br8 Re6 S5 -","- Br15.66 Re12 S10.34 -","- Br15.66 Re12 S10.34 -","1","0.5","","Perricone, A.; Slougui, A.; Perrin, A.","Rhenium octahedral clusters: the systems Re-S-Br and M-Re-S-Br (M = Na, K, Rb, Cs)","Solid State Sciences","1999","1","","657","666","","","x-ray","0.71073","MoKα","","","0.051","","","0.056","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521122","9.083","","5.763","","4.532","","90","","90.3","","90","","237.226","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","V O2","","- O2 V -","- O2 V -","- O16 V8 -","8","1","","Galy, J.; Miehe, G.","Ab initio structures of (M2) and (M3) V O2","Solid State Sciences","1999","1","","433","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521124","4.506","","2.899","","4.617","","90","","91.79","","90","","60.282","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","V O2","","- O2 V -","- O2 V -","- O4 V2 -","2","0.5","","Galy, J.; Miehe, G.","Ab initio structures of (M2) and (M3) V O2","Solid State Sciences","1999","1","","433","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521515","8.26988","","8.26988","","22.3573","","90","","90","","120","","1324.18","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","La0.333 Ti2 (P O4)3","","- La0.333 O12 P3 Ti2 -","- La0.3335 O12 P3 Ti2 -","- La2.001 O72 P18 Ti12 -","6","0.333333","","Lightfoot, P.; Jorgensen, J.D.; Woodcock, D.A.; Short, S.","Low thermal expansion materials: a comparison of the structural behaviour of La0.33 Ti2 (P O4)3, Sr0.5 Ti2 (P O4)3 and Na Ti2 (P O4)3","International Journal of Inorganic Materials","1999","1","","53","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","141727","2020-10-21","18:00:00",""
"1521750","6.716","","7.603","","17.41","","113.96","","82.33","","94.7","","804.735","","","","","","","","","","","","","3","P -1","-P 1","2","","Mn7 Si7 O21","","- Mn7 O21 Si7 -","- Mn7 O21 Si7 -","- Mn14 O42 Si14 -","2","1","","Pertlik, F.","Pyroxymangit aus Duernstein in der Steiermark: eine Strukturverfeinerung mit kristallchemischen Ueberlegungen ueber dieBesetzungen der ""nichttetraedrisch"" koordinierten Kationpositionen","Joannea - Mineral.","2000","1","","31","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","141964","2020-10-21","18:00:00",""
"1522085","3.941","","3.941","","3.941","","90","","90","","90","","61.21","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd0.83 Sn0.17)","","- Pd0.83 Sn0.17 -","- Pd0.83 Sn0.17 -","- Pd3.32 Sn0.68 -","4","0.0208333","","Knight, J.R.; Rhys, D.W.","The systems Pd-In and Pd-Sn","Journal of the Less-Common Metals","1959","1","","292","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","142304","2020-10-21","18:00:00",""
"1522316","7.008","","7.008","","7.008","","90","","90","","90","","344.177","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Mn V3) Ta2","","- Mn Ta2 V3 -","- Mn Ta2 V3 -","- Mn4 Ta8 V12 -","4","0.0208333","","Kuo, K.","Ternary Laves and sigma-phases of transition metals","Acta Metallurgica","1953","1","","720","724","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522337","10.64","","10.64","","6.812","","90","","90","","90","","771.184","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Nd Zn11 -","- Nd Zn11 -","- Nd4 Zn44 -","4","0.125","","Kuz'ma, Yu.B.; Kripyakevich, P.I.; Frankevich, D.P.","Compounds of the rare earth metals with zinc and their crystal structures","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1965","1","","1547","1553","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522410","9.4","","7.6","","9.42","","90","","90","","90","","672.965","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga U -","- Ga U -","- Ga16 U16 -","16","1","","Makarov, E.S.; Levdik, V.A.","Crystal structure of U Ga and U Ga2","Kristallografiya","1956","1","","644","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522411","4.21","","4.21","","4.01","","90","","90","","120","","61.552","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ga2 U -","- Ga2 U -","- Ga2 U -","1","0.0416667","","Makarov, E.S.; Levdik, V.A.","Crystal structure of U Ga and U Ga2","Kristallografiya","1956","1","","644","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522748","2.722","","2.722","","4.306","","90","","90","","120","","27.63","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Os Ru)","","- Os Ru -","- Os Ru -","- Os Ru -","1","0.0416667","","Raub, E.","Metals and alloys of the platinum group","Journal of the Less-Common Metals","1959","1","","3","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522749","3.85","","3.85","","3.85","","90","","90","","90","","57.067","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd Rh)","","- Pd Rh -","- Pd Rh -","- Pd2 Rh2 -","2","0.0104167","","Raub, E.","Metals and alloys of the platinum group","Journal of the Less-Common Metals","1959","1","","3","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522750","3.864","","3.864","","3.864","","90","","90","","90","","57.691","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pt Rh)","","- Pt Rh -","- Pt Rh -","- Pt2 Rh2 -","2","0.0104167","","Raub, E.","Metals and alloys of the platinum group","Journal of the Less-Common Metals","1959","1","","3","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522751","3.884","","3.884","","3.884","","90","","90","","90","","58.592","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ir Pt)","","- Ir Pt -","- Ir Pt -","- Ir2 Pt2 -","2","0.0104167","","Raub, E.","Metals and alloys of the platinum group","Journal of the Less-Common Metals","1959","1","","3","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522752","2.72","","2.72","","4.33","","90","","90","","120","","27.743","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ir Ru)","","- Ir Ru -","- Ir Ru -","- Ir Ru -","1","0.0416667","","Raub, E.","Metals and alloys of the platinum group","Journal of the Less-Common Metals","1959","1","","3","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522826","4.727","","4.727","","4.727","","90","","90","","90","","105.623","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","(La0.0013 V0.9987)3 Si","","- La0.0039 Si V2.9961 -","- La0.0039 Si V2.9961 -","- La0.0078 Si2 V5.9922 -","2","0.0416667","","Savitskii, E.M.; Baron, V.V.; Efimov, Yu.V.; Gladyshevskii, E.I.","The solubility of some transition metals in V3 Si and their influence on its temperature of transition to the superconducting state","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1965","1","","354","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522955","4.7064","","4.7064","","4.7064","","90","","90","","90","","104.248","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ni0.97 V3.03 -","- Ni0.97 V3.03 -","- Ni1.94 V6.06 -","2","0.0416667","","Stevens, E.R.; Carlson, O.N.","V-Ni system","Metallurgical Transactions","1970","1","","1267","1271","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522956","2.99","","2.99","","2.99","","90","","90","","90","","26.731","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Ni0.15 V0.85)","","- Ni0.15 V0.85 -","- Ni0.15 V0.85 -","- Ni0.3 V1.7 -","2","0.0208333","","Stevens, E.R.; Carlson, O.N.","V-Ni system","Metallurgical Transactions","1970","1","","1267","1271","","","","","","","","","","","","","","","","","","","","","","has coordinates","143260","2020-10-21","18:00:00",""
"1523077","6.045","","6.045","","6.045","","90","","90","","90","","220.897","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ga Hf Ni2 -","- Ga Hf Ni2 -","- Ga4 Hf4 Ni8 -","4","0.0208333","","Wernick, J.H.; Hull, G.W.; Waszczak, J.V.; Bernardini, J.E.; Geballe, T.H.","Superconductivity in ternary Heusler intermetallic compounds","Materials Letters","1983","1","","90","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523079","20.148","","20.148","","20.148","","90","","90","","90","","8178.92","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Mg44 Rh7 -","- Mg44 Rh7 -","- Mg352 Rh56 -","8","0.0833333","","Westin, L.","The crystal structure of Rh7 Mg22","Chemica Scripta","1971","1","","127","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523604","3.92","","3.92","","3.92","","90","","90","","90","","60.236","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Mg Pd3)","","- Mg Pd3 -","- Mg Pd3 -","- Mg Pd3 -","1","0.00520833","","Ferro, R.","Research on the alloys of noble metals with the more electropositive elements. II. Micrographic and roentgenographic examination of the Mg-Pd alloys","Journal of the Less-Common Metals","1959","1","","424","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523657","3.143","","3.143","","3.143","","90","","90","","90","","31.048","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Re0.253 W0.747)","","- Re0.253 W0.747 -","- Re0.253 W0.747 -","- Re0.506 W1.494 -","2","0.0208333","","Garfinkle, M.","Effect of rhenium alloying on lattice dilation of the group VI-A refractory metals","Metallurgical Transactions","1970","1","","1062","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","144278","2020-10-21","18:00:00",""
"1523712","4.738","","4.738","","7.666","","90","","90","","120","","149.035","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Fe0.5 Si0.5)2 W","","- Fe Si W -","- Fe Si W -","- Fe4 Si4 W4 -","4","0.166667","","Gladyshevskii, E.I.; Kuz'ma, Yu.B.","Crystal structure of ternary phases in the systems Mo(W) - Fe (Co, Ni) - Si","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1960","1","","66","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523820","4.911","","4.911","","3.982","","90","","90","","120","","83.171","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni5 Th -","- Ni5 Th -","- Ni5 Th -","1","0.0416667","","Heumann, T.","Beitrag zur Kenntnis der A5 B Phasen","Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch-Physikalisch-Chemische Abteilung","1946","1","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523849","4.452","","11.331","","4.195","","90","","90","","90","","211.619","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Pr -","- Ga Pr -","- Ga4 Pr4 -","4","0.25","","Iandelli, A.","Intermetallic compounds of the rare earth metals","Physical Chemistry of Metallic Solutions and Intermetallic Compounds, Symposium","1960","1","","376","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523878","8.662","","8.662","","8.662","","90","","90","","90","","649.912","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Mg2 Nd -","- Mg2 Nd -","- Mg16 Nd8 -","8","0.0416667","","Iandelli, A.","Intermetallic compounds of the rare earth metals","Nat. Phys. Lab., Symposium","1959","1","","2","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523879","3.885","","3.885","","3.885","","90","","90","","90","","58.637","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Pr -","- Mg Pr -","- Mg Pr -","1","0.0208333","","Iandelli, A.","Intermetallic compounds of the rare earth metals compounds of Cs Cl-type","Nat. Phys. Lab., Symposium","1959","1","","2","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523880","8.689","","8.689","","8.689","","90","","90","","90","","656.008","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Mg2 Pr -","- Mg2 Pr -","- Mg16 Pr8 -","8","0.0416667","","Iandelli, A.","Intermetallic compounds of the rare earth metals compounds of Cs Cl-type","Nat. Phys. Lab., Symposium","1959","1","","2","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523881","8.622","","8.622","","8.622","","90","","90","","90","","640.95","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Mg2 Sm -","- Mg2 Sm -","- Mg16 Sm8 -","8","0.0416667","","Iandelli, A.","Intermetallic compounds of the rare earth metals","Nat. Phys. Lab., Symposium","1959","1","","2","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523882","4.852","","4.852","","4.852","","90","","90","","90","","114.225","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Nd Pb3 -","- Nd Pb3 -","- Nd Pb3 -","1","0.0208333","","Iandelli, A.","Intermetallic compounds of the rare earth metals","Nat. Phys. Lab., Symposium","1959","1","","2","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523883","4.705","","4.705","","4.705","","90","","90","","90","","104.155","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Nd Sn3 -","- Nd Sn3 -","- Nd Sn3 -","1","0.0208333","","Iandelli, A.","Intermetallic compounds of the rare earth metals","Nat. Phys. Lab., Symposium","1959","1","","2","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523921","6.132","","6.132","","6.132","","90","","90","","90","","230.572","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Nb Rh Sn -","- Nb Rh Sn -","- Nb4 Rh4 Sn4 -","4","0.0416667","","Jeitschko, W.","Transition metal stannides with Mg Ag As and Mn Cu2 Al type structures","Metallurgical Transactions","1970","1","","3159","3162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523922","5.941","","5.941","","5.941","","90","","90","","90","","209.69","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ni Sn Ti -","- Ni Sn Ti -","- Ni4 Sn4 Ti4 -","4","0.0416667","","Jeitschko, W.","Transition metal stannides with Mg Ag As and Mn Cu2 Al type structure","Metallurgical Transactions","1970","1","","3159","3162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523923","6.113","","6.113","","6.113","","90","","90","","90","","228.435","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ni Sn Zr -","- Ni Sn Zr -","- Ni4 Sn4 Zr4 -","4","0.0416667","","Jeitschko, W.","Transition metal stannides with Mg Ag As and Mn Cu2 Al type structures","Metallurgical Transactions","1970","1","","3159","3162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523924","6.321","","6.321","","6.321","","90","","90","","90","","252.556","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Pd Sn Zr -","- Pd Sn Zr -","- Pd4 Sn4 Zr4 -","4","0.0416667","","Jeitschko, W.","Transition metal stannides with Mg Ag As and Mn Cu2 Al type structure","Metallurgical Transactions","1970","1","","3159","3162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524340","3.9802","","3.9802","","5.6185","","90","","90","","120","","77.083","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Cd0.8 Li0.2","","- Cd0.75 Li0.25 -","- Cd0.75 Li0.25 -","- Cd1.5 Li0.5 -","2","0.0833333","","Farrar, L.A.; King, H.W.","Axial ratios and sulubility limits of h.c.p. phases in the systems Cd-Au, Cd-Li, and Zn-Li","Metallography","1968","1","","79","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","145081","2020-10-21","18:00:00",""
"1524400","24.81999","","24.81999","","24.81999","","90","","90","","90","","15289.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ag55.5 Al55.5 Si136.5 O384","","- Ag40.64 Al55.5072 O384 Si136.493 -","- Ag40.64 Al55.5072 O384 Si136.493 -","- Ag40.64 Al55.5072 O384 Si136.493 -","1","0.00520833","","Gellens, L.R.; Mortier, W.J.; Uytterhoeven, J.B.","Oxidation and reduction of silver in zeolite Y. A structural study","Zeolites","1981","1","","85","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","145157","2020-10-21","18:00:00",""
"1524545","5.131","","5.131","","4.124","","90","","90","","120","","94.027","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ce Cu5 -","- Ce Cu5 -","- Ce Cu5 -","1","0.0416667","","Heumann, T.","Beitrag zur Kenntnis der A5 B Phasen","Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch-Physikalisch-Chemische Abteilung","1946","1","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524613","5.947","","5.947","","5.947","","90","","90","","90","","210.326","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Co Nb Sn -","- Co Nb Sn -","- Co4 Nb4 Sn4 -","4","0.0416667","","Jeitschko, W.","Transition metal stannides with Mg Ag As and Mn Cu2 Al type structure","Metallurgical Transactions","1970","1","","3159","3192","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524614","6.06","","6.06","","6.06","","90","","90","","90","","222.545","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Co2 Sn Ti -","- Co2 Sn Ti -","- Co8 Sn4 Ti4 -","4","0.0208333","","Jeitschko, W.","Transition metal stannides with Mg Ag As and Mn Cu2 Al type structure","Metallurgical Transactions","1970","1","","3159","3162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524615","6.233","","6.233","","6.233","","90","","90","","90","","242.154","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Co2 Sn Zr -","- Co2 Sn Zr -","- Co8 Sn4 Zr4 -","4","0.0208333","","Jeitschko, W.","Transition metal stannides with Mg Ag As and Mn Cu2 Al type structure","Metallurgical Transactions","1970","1","","3159","3162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524739","6.974","","6.974","","6.974","","90","","90","","90","","339.192","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cr2 Nb -","- Cr2 Nb -","- Cr16 Nb8 -","8","0.0416667","","Kornilov, I.I.; Budberg, P.B.; Alisova, S.P.","Isothermal section of the Mo - Zr - Cr constitution diagram at 1500 C","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1965","1","","2205","2207","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524740","7.076","","7.076","","7.076","","90","","90","","90","","354.294","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Cr4 (Nb Zr)","","- Cr4 Nb Zr -","- Cr4 Nb Zr -","- Cr16 Nb4 Zr4 -","4","0.0208333","","Kornilov, I.I.; Alisova, S.P.; Budberg, P.B.","Equilibrium phase for the Nb Cr2 - Zr Cr2 metallic compound system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1965","1","","1993","1995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524768","7.115","","7.115","","7.115","","90","","90","","90","","360.184","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Cu V) Ta","","- Cu Ta V -","- Cu Ta V -","- Cu8 Ta8 V8 -","8","0.0416667","","Kuo, K.","Ternary Laves and sigma phases of transition metalls","Acta Metallurgica","1953","1","","720","724","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524775","8.8501","","8.8501","","5.195","","90","","90","","90","","406.895","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Er Zn12 -","- Er Zn12 -","- Er2 Zn24 -","2","0.0625","","Kuz'ma, Yu.B.; Kripyakevich, P.I.; Frankevich, D.P.","Compounds of the rare earth metals with zinc and their crystal structures","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1965","1","","1547","1553","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524776","12.63","","12.63","","12.63","","90","","90","","90","","2014.7","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Er6 Zn23 -","- Er6 Zn23 -","- Er24 Zn92 -","4","0.0208333","","Kuz'ma, Yu.B.; Kripyakevich, P.I.; Frankevich, D.P.","Compounds of the rare earth metals with zinc and their crystal structures","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1965","1","","1547","1553","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524803","4.689","","4.689","","4.689","","90","","90","","90","","103.096","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Fe Ge -","- Fe Ge -","- Fe4 Ge4 -","4","0.333333","","Lebech, B.; Bernhard, J.; Freltoft, T.","Magnetic structures of cubic Fe Ge studied by small-angle neutron scatttering","Journal of Physics: Condensed Matter","1989","1","","6105","6122","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524920","3.592","","3.592","","3.592","","90","","90","","90","","46.346","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Fe0.5 Mn0.2 Ni0.3)","","- Fe0.5 Mn0.2 Ni0.3 -","- Fe0.5 Mn0.2 Ni0.3 -","- Fe2 Mn0.8 Ni1.2 -","4","0.0208333","","Men'shikov, A.Z.; Kazantsev, V.A.; Sidorov, S.K.; Kuz'min, N.N.","Exchange interaction and magnetic properties of iron- nickel-manganese alloys","Journal of Magnetism and Magnetic Materials","1975","1","","91","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","145785","2020-10-21","18:00:00",""
"1524943","7.334","","7.334","","7.334","","90","","90","","90","","394.478","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Ce0.6 Gd0.4) Fe2","","- Ce0.6 Fe2 Gd0.4 -","- Ce0.6 Fe2 Gd0.4 -","- Ce4.8 Fe16 Gd3.2 -","8","0.0416667","","Miskinis, E.T.; Narasimhan, K.S.V.L.; Wallace, W.E.; Craig, R.S.","Magnetic properties of Gd1-x Thx Fe2 and Gd1-x Cex Fe2","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1973","1","","429","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524970","4.994","","4.994","","3.985","","90","","90","","120","","86.071","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Co5 (Pr0.7 Tm0.3)","","- Co5 Pr0.7 Tm0.3 -","- Co5 Pr0.7 Tm0.3 -","- Co5 Pr0.7 Tm0.3 -","1","0.0416667","","Narasimhan, K.S.V.L.; Wallace, W.E.; Hutchens, R.D.","Effect of Tm and Er substitution on the magnetic anisotropy of Nd Co5 and Pr Co5","Proc. Rare Earth Res. Conf., 11th","1974","1","","487","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","145854","2020-10-21","18:00:00",""
"1524971","4.973","","4.973","","3.983","","90","","90","","120","","85.306","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Co5 (Nd0.6 Tm0.4)","","- Co5 Nd0.6 Tm0.4 -","- Co5 Nd0.6 Tm0.4 -","- Co5 Nd0.6 Tm0.4 -","1","0.0416667","","Narasimhan, K.S.V.L.; Hutchens, R.D.; Wallace, W.E.","Effect of Tm and Er substitution on the magnetic anisotropy of Nd Co5 and Pr Co5","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1974","1","","487","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","145855","2020-10-21","18:00:00",""
"1524983","7.512","","7.512","","7.512","","90","","90","","90","","423.903","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Na3 (P O4)","","- Na3 O4.008 P0.504 -","- Na3 O4.008 P1.008 -","- Na12 O16.032 P4.032 -","4","0.0208333","","Newsam, J.M.; Cheetham, A.K.; Tofield, B.C.","Structural studies of the high-temperature modifications of sodium and silver orthophosphates, II-Na3 P O4 and II-Ag3 P O4, and of the low-temperature form I-Ag3 P O4","Solid State Ionics","1980","1","","377","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","145867","2020-10-21","18:00:00",""
"1524984","7.424","","7.424","","7.424","","90","","90","","90","","409.18","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Na2.925 Al0.025 P O4","","- Al0.024 Na2.928 O4.008 P0.504 -","- Al0.024 Na2.928 O4.008 P1.008 -","- Al0.096 Na11.712 O16.032 P4.032 -","4","0.0208333","","Newsam, J.M.; Tofield, B.C.; Cheetham, A.K.","The solid solutions Na3(1-x) Alx ()2x P O4: Room temperature powder neutron diffraction studies of the two compositions x=0.025 x=0.2","Solid State Ionics","1980","1","","395","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","145868","2020-10-21","18:00:00",""
"1525199","3.71","","3.71","","5.49","","90","","90","","120","","65.441","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Co0.5 Fe0.5)0.875 Se","","- Co0.4375 Fe0.4375 Se -","- Co0.44 Fe0.44 Se -","- Co0.88 Fe0.88 Se2 -","2","0.0833333","","Sato, M.; Kamimora, T.; Iwata, T.","Magnetic properties and anisotropy of (Fe1-x Cox)7 Se8","Journal of the Less-Common Metals","1959","1","","382","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525311","7.335","","7.335","","7.335","","90","","90","","90","","394.639","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Co Ni) Gd","","- Co Gd Ni -","- Co Gd Ni -","- Co8 Gd8 Ni8 -","8","0.0416667","","Slanicka, M.I.; Taylor, K.N.R.; Primavesi, G.J.","Moment variation in rare earth-transition metal C15 compounds of type A Fe2 - A Co2, A Co2 - A Ni2","Journal of Physics F","1971","1","","679","685","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525312","7.162","","7.162","","7.162","","90","","90","","90","","367.369","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Co Ni) Ho","","- Co Ho Ni -","- Co Ho Ni -","- Co8 Ho8 Ni8 -","8","0.0416667","","Slanicka, M.I.; Taylor, K.N.R.; Primavesi, G.J.","Moment variation in rare earth-transition metal C15 compounds of type A Fe2 - A Co2, A Co2 - A Ni2","Journal of Physics F","1971","1","","679","685","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525313","7.26","","7.26","","7.26","","90","","90","","90","","382.657","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Co Fe) Ho","","- Co Fe Ho -","- Co Fe Ho -","- Co8 Fe8 Ho8 -","8","0.0416667","","Slanicka, M.I.; Taylor, K.N.R.; Primavesi, G.J.","Moment variation in rare earth-transition metal C15 compounds of type A Fe2 - A Co2, A Co2 - A Ni2","Journal of Physics F","1971","1","","679","685","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525467","2.71","","2.71","","3.718","","90","","90","","90","","27.305","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","(Co.5 Fe.5) Pt","","- Co0.5 Fe0.5 Pt -","- Co0.5 Fe0.5 Pt -","- Co0.5 Fe0.5 Pt -","1","0.0625","","Woolley, J.C.; Bates, B.","Ordering in Co Pt - Fe Pt alloys","Journal of the Less-Common Metals","1959","1","","382","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527325","15.5575","","15.5575","","15.5575","","90","","90","","90","","3765.47","","","","","","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","","- Ru Zn6 -","- Ru Zn6 -","- Ru36 Zn216 -","36","1.5","","Edstroem, V.A.; Westman, S.","The crystal structure of the primitive cubic, non-centro- symmetric phase Ru Zn6","Chemica Scripta","1971","1","","137","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527547","4.8387","","4.8387","","2.8527","","90","","90","","120","","57.842","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Ti0.82 Zr0.18) U2","","- Ti0.82 U2 Zr0.18 -","- Ti0.82 U2 Zr0.18 -","- Ti0.82 U2 Zr0.18 -","1","0.0416667","","Howlett, B.W.","The alloy system uranium-titanium-zirconium","Journal of Nuclear Materials","1959","1","","289","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","149170","2020-10-21","18:00:00",""
"1527706","8.984","","8.984","","8.77","","90","","90","","120","","613.013","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Tb2 Zn17 -","- Tb2 Zn17 -","- Tb4 Zn34 -","2","0.0833333","","Kuz'ma, Yu.B.; Kripyakevich, P.I.; Frankevich, D.P.","Compounds of the rare earth metals with zinc and their crystal structures","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1965","1","","1410","1415","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527750","4.2","","4.2","","4.17","","90","","90","","120","","63.704","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Th Zn2 -","- Th Zn2 -","- Th Zn2 -","1","0.0416667","","Makarov, E.S.; Gudkov, L.S.","X-ray diffraction studies of thorium-zinc alloys","Kristallografiya","1956","1","","650","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527751","4.26","","4.26","","10.4","","90","","90","","90","","188.735","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Th Zn4 -","- Th Zn4 -","- Th2 Zn8 -","2","0.0625","","Makarov, E.S.; Gudkov, L.S.","X-ray diffraction studies of thorium-zinc alloys","Kristallografiya","1956","1","","650","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527982","3.7","","3.7","","11.88","","90","","90","","90","","162.637","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca2 (Ge O4)","","- Ca2 Ge O4 -","- Ca2 Ge O4 -","- Ca4 Ge2 O8 -","2","0.0625","","Reid, A.F.; Ringwood, A.E.","The crystal chemistry of dense M2 O4 polymorphs: High pressure Ca2 Ge O4 of K2 Ni F4 structure type","Journal of Solid State Chemistry","1970","1","","557","565","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528127","9.68","","9.68","","8.96","","90","","90","","120","","727.092","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr3 Yb4 O12","","- O12 Yb4 Zr3 -","- O12 Yb3.997 Zr3.003 -","- O36 Yb11.991 Zr9.009 -","3","0.166667","","Thornber, M.R.; Bevan, D.J.M.","Mixed oxides of the type M O2 (fluorite)-M2 O3. IV. Crystal structures of the high- and low-temperature forms of Zr3 Yb4 O12","Journal of Solid State Chemistry","1970","1","","536","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","150066","2020-10-21","18:00:00",""
"1528307","4.216","","4.216","","4.216","","90","","90","","90","","74.938","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Mg3 N F3","","- F3 Mg3 N -","- F3 Mg3 N -","- F3 Mg3 N -","1","0.0208333","","Andersson, S.","Magnesium nitride fluorides","Journal of Solid State Chemistry","1970","1","","306","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528308","4.186","","4.186","","10.042","","90","","90","","90","","175.962","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Mg2 N F","","- F Mg2 N -","- F Mg2 N -","- F4 Mg8 N4 -","4","0.125","","Andersson, S.","Magnesium nitride fluorides","Journal of Solid State Chemistry","1970","1","","306","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528443","3.544","","3.544","","5.581","","90","","90","","90","","70.097","","","","","","","","","","","","","2","I 4 m m","I 4 -2","107","","","","- Ge P -","- Ge P -","- Ge2 P2 -","2","0.125","","Donohue, P.C.; Young, H.S.","Synthesis, structure, and superconductivity of new high pressure phases in the systems ge - p and ge - as","Journal of Solid State Chemistry","1970","1","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528444","3.715","","3.715","","5.832","","90","","90","","90","","80.489","","","","","","","","","","","","","2","I 4 m m","I 4 -2","107","","Ge As","","- As Ge -","- As Ge -","- As2 Ge2 -","2","0.125","","Donohue, P.C.; Young, H.S.","Synthesis, structure, and superconductivity of new high pressure phases in the systems ge - p and ge - as","Journal of Solid State Chemistry","1970","1","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528513","5.85","","10.79","","8.76","","90","","90","","90","","552.944","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","K2 (Zr2 O5)","","- K2 O5 Zr2 -","- K2 O5 Zr2 -","- K8 O20 Zr8 -","4","0.5","","Gatehouse, B.M.; Lloyd, D.J.","The crystal structure of beta-K2 Zr2 O5","Journal of Solid State Chemistry","1970","1","","478","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","150882","2020-10-21","18:00:00",""
"1528594","24.413","","7.446","","3.95","","90","","91.03","","90","","717.912","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","W3 V5 O20","","- O20 V5 W3 -","- O20 V5 W3 -","- O40 V10 W6 -","2","0.25","","Israelsson, M.; Kihlborg, L.","The crystal structure of monoclinic W3 V5 O20, an OD structure related to R-Nb2 O5","Journal of Solid State Chemistry","1970","1","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","151053","2020-10-21","18:00:00",""
"1528601","10.84","","6.162","","12.745","","90","","106.37","","90","","816.805","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na2 (Nb4 O11)","","- Na2 Nb4 O11 -","- Na2 Nb4 O11 -","- Na8 Nb16 O44 -","4","0.5","","Jahnberg, L.","Crystal structure of Na2 Nb4 O11 and Ca Ta4 O11","Journal of Solid State Chemistry","1970","1","","454","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","151061","2020-10-21","18:00:00",""
"1528602","6.213","","6.213","","12.265","","90","","90","","120","","410.016","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Ca Ta4 O11","","- Ca O11 Ta4 -","- Ca O11 Ta4 -","- Ca2 O22 Ta8 -","2","0.166667","","Jahnberg, L.","Crystal structure of Na2 Nb4 O11 and Ca Ta4 O11","Journal of Solid State Chemistry","1970","1","","454","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528702","6.261","","6.261","","4.101","","90","","90","","90","","160.76","","","","","","","","","","","","","3","P 4/n :1","P 4ab -1ab","85","","(V O) (S O4)","","- O5 S V -","- O5 S V -","- O10 S2 V2 -","2","0.25","","Longo, J.M.; Arnott, R.J.","Structure and magnetic properties of V O S O4","Journal of Solid State Chemistry","1970","1","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528723","20.44","","20.44","","3.832","","90","","90","","90","","1600.98","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Nb2 O5 -","- Nb2 O5 -","- Nb32 O80 -","16","0.5","","Martin, W.; Gruehn, R.; Andersson, S.","Ueber die Kristallstruktur von M - Nb2 O5","Journal of Solid State Chemistry","1970","1","","419","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528778","12.1904","","3.7485","","5.5296","","90","","107.039","","90","","241.588","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ti O2","","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Ouhenia, S.; Belkhir, M.A.; Samah, M.","Structure of beta - Ti O2","Private Communication","2006","1","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528830","20.068","","8.259","","9.099","","90","","106.35","","90","","1447.1","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Zn2 (P2 O7)","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O84 P24 Zn24 -","12","1.5","","Robertson, B.E.; Calvo, C.","Crystal structure of alpha Zn2 P2 O7","Journal of Solid State Chemistry","1970","1","","120","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528866","8.997","","8.997","","7.745","","90","","90","","120","","542.935","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Ba3 Si4 Ta6 O23","","- Ba3 O23 Si4 Ta6 -","- Ba3 O23 Si4 Ta6 -","- Ba3 O23 Si4 Ta6 -","1","0.0833333","","Shannon, J.; Katz, L.","The structures of the reduced and oxidized forms of barium silicon tantalum oxide Ba3 Si4 Ta6 O23 and Ba3 Si4 Ta6 O26","Journal of Solid State Chemistry","1970","1","","399","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","151617","2020-10-21","18:00:00",""
"1528867","8.99","","8.99","","7.79","","90","","90","","120","","545.24","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Ba3 Si4 Ta6 O26","","- Ba3 O26 Si4 Ta6 -","- Ba3 O26 Si4 Ta6 -","- Ba3 O26 Si4 Ta6 -","1","0.0833333","","Shannon, J.; Katz, L.","The structures of the reduced and oxidized forms of barium silicon tantalum oxide Ba3 Si4 Ta6 O23 and Ba3 Si4 Ta6 O26","Journal of Solid State Chemistry","1970","1","","399","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","151618","2020-10-21","18:00:00",""
"1528976","15.68","","3.809","","12.06","","90","","95","","90","","717.544","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","K3 Ti8 O17","","- K3 O17 Ti8 -","- K3 O17 Ti8 -","- K6 O34 Ti16 -","2","0.25","","Watts, J.A.","K3 Ti8 O17 a new alkali titanate bronze","Journal of Solid State Chemistry","1970","1","","319","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","151864","2020-10-21","18:00:00",""
"1528998","3.441","","3.441","","60.48","","90","","90","","120","","620.171","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","(Ti3 S4).89","","- S3.56 Ti2.67 -","- S3.5 Ti2.68 -","- S21 Ti16.08 -","6","0.166667","","Wiegers, G.A.; Jellinek, F.","The system titanium-sulfur. II. The structures Ti3 S4 and Ti4 S5","Journal of Solid State Chemistry","1970","1","","519","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","151892","2020-10-21","18:00:00",""
"1528999","3.439","","3.439","","28.933","","90","","90","","120","","296.339","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ti4 S5","","- S5 Ti4 -","- S5 Ti4 -","- S10 Ti8 -","2","0.0833333","","Wiegers, G.A.; Jellinek, F.","The system titanium-sulfur. II. The structures Ti3 S4 and Ti4 S5","Journal of Solid State Chemistry","1970","1","","519","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","151893","2020-10-21","18:00:00",""
"1529541","13.089","","13.047","","13.218","","90","","90","","90","","2257.27","","","","","","","","","","","","","7","P n c n","-P 2ab 2n","52","","Na1.08 Ca1.84 Sr.08 (Al5 Si5 O20) (H2 O)6","","- Al5 Ca1.84 H12 Na1.08 O26 Si5 Sr0.08 -","- Al5 Ca1.84 H12 Na1.08 O26 Si5 Sr0.08 -","- Al20 Ca7.36 H48 Na4.32 O104 Si20 Sr0.32 -","4","0.5","","Alberti, A.; Vezzalini, G.; Tazzoli, V.","Thomsonite: A detailed refinement with cross-checking by crystal energy calculations","Zeolites","1981","1","","91","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529668","5.953","","5.953","","23.668","","90","","90","","120","","726.38","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe10.92 K1.55 O17 -","- Fe10.92 K1.542 O17 -","- Fe21.84 K3.084 O34 -","2","0.0833333","","Boilot, J.P.; Collin, G.; Colomban, P.; Comes, R.","Crystal structure and ion-ion correlation in ion rich beta alumina type compounds. II. Potassium beta ferrite","Solid State Ionics","1980","1","","69","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529671","7.94","","7.94","","4.21","","90","","90","","90","","265.414","","","","","","","","","","","","","4","P 4/n :1","P 4ab -1ab","85","","In F3 (H2 O)3","","- F3 H6 In O3 -","- F3 In O3 -","- F6 In2 O6 -","2","0.25","","Bokii, G.B.; Khodashova, T.S.","The X-ray analysis of the crystals In F3 (H2 O)3","Kristallografiya","1956","1","","197","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529772","5.608","","5.608","","22.56","","90","","90","","120","","614.449","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Al10.38 Mg0.62 K1.62 O17","","- Al10.38 K1.62 Mg0.62 O17 -","- Al10.38 K1.623 Mg0.62 O17 -","- Al20.76 K3.246 Mg1.24 O34 -","2","0.0833333","","Collin, G.; Colomban, P.; Comes, R.; Boilot, J.P.","Crystal structure and ion-ion correlation of ion-rich beta alumina type compounds. I. Magnesium doped potassium rich beta alumina","Solid State Ionics","1980","1","","59","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","154391","2020-10-21","18:00:00",""
"1529908","10.363","","10.363","","10.363","","90","","90","","90","","1112.9","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Sb2 O5 (H2 O)3","","- H6 O8 Sb2 -","- O8 Sb2 -","- O64 Sb16 -","8","0.0416667","","England, W.A.; Cross, M.G.; Hamnett, A.; Wiseman, P.J.; Goodenough, J.B.","Fast proton conduction in inorganic ion-exchange compounds","Solid State Ionics","1980","1","","231","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","154820","2020-10-21","18:00:00",""
"1529924","16.23","","5.51","","10.16","","90","","90","","90","","908.581","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ca2 Al3 (Si2 O7) (Si O4) O (O H)","","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 O13 Si3 -","- Al12 Ca8 O52 Si12 -","4","0.5","","Fesenko, E.G.; Rumanova, I.M.; Belov, N.V.","The crystal structure of zoisite","Kristallografiya","1956","1","","171","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529973","24.62","","24.62","","24.62","","90","","90","","90","","14923.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ag54.5 Al55.5 Si136.5 O384","","- Ag54.5 Al55.5 O384 Si136.5 -","- Ag55.04 Al55.68 O384 Si136.32 -","- Ag55.04 Al55.68 O384 Si136.32 -","1","0.00520833","","Gellens, L.R.; Mortier, W.J.; Uytterhoeven, J.B.","Oxidation and reduction of silver in zeolite Y. A structural study","Zeolites","1981","1","","85","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","154917","2020-10-21","18:00:00",""
"1529974","24.67","","24.67","","24.67","","90","","90","","90","","15014.4","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ag55.4 Al55.5 Si136.5 O384","","- Ag55.4 Al55.5 O384 Si136.5 -","- Ag55.2 Al55.68 O384 Si136.32 -","- Ag55.2 Al55.68 O384 Si136.32 -","1","0.00520833","","Gellens, L.R.; Mortier, W.J.; Uytterhoeven, J.B.","Oxidation and reduction of silver in zeolite Y. A structural study","Zeolites","1981","1","","85","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","154918","2020-10-21","18:00:00",""
"1529975","24.78","","24.78","","24.78","","90","","90","","90","","15216.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ag55.5 Al55.5 Si136.5 O384","","- Ag51.36 Al55.5072 O384 Si136.493 -","- Ag51.36 Al55.5072 O384 Si136.493 -","- Ag51.36 Al55.5072 O384 Si136.493 -","1","0.00520833","","Gellens, L.R.; Uytterhoeven, J.B.; Mortier, W.J.","Oxidation and reduction of silver in zeolite Y. A structural study","Zeolites","1981","1","","85","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","154919","2020-10-21","18:00:00",""
"1529976","24.95999","","24.95999","","24.95999","","90","","90","","90","","15550.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ag61.1 Al69.8 Si122.2 O384","","- Ag61.1 Al69.8 O384 Si122.2 -","- Ag61.12 Al69.12 O384 Si122.88 -","- Ag61.12 Al69.12 O384 Si122.88 -","1","0.00520833","","Gellens, L.R.; Mortier, W.J.; Uytterhoeven, J.B.","On the nature of the charged silver clusters in zeolites of type A, X and Y","Zeolites","1981","1","","11","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","154920","2020-10-21","18:00:00",""
"1529977","25.11","","25.11","","25.11","","90","","90","","90","","15832.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ag101 Al101 Si91 O384","","- Ag91.808 Al100.992 O384 Si91.008 -","- Ag91.808 Al100.992 O384 Si91.008 -","- Ag91.808 Al100.992 O384 Si91.008 -","1","0.00520833","","Gellens, L.R.; Mortier, W.J.; Uytterhoeven, J.B.","On the nature of the charged silver clusters in zeolites of type A, X and Y","Zeolites","1981","1","","11","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","154921","2020-10-21","18:00:00",""
"1529978","12.32","","12.32","","12.32","","90","","90","","90","","1869.96","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Na4.1 Ag5.99 Si12 Al12 O48","","- Ag5.99 Al12 Na4.1 O48 Si12 -","- Ag6.02 Al12 Na4.24 O48 Si12 -","- Ag6.02 Al12 Na4.24 O48 Si12 -","1","0.0208333","","Gellens, L.R.; Mortier, W.J.; Uytterhoeven, J.B.","On the nature of the charged silver clusters in zeolites of type A, X and Y","Zeolites","1981","1","","11","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","154922","2020-10-21","18:00:00",""
"1530029","7.427","","7.427","","7.427","","67.89","","67.89","","67.89","","338.235","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","(C (N H2)3) (P F6)","","- C H6 F6 N3 P -","- C H6 F6 N3 P -","- C2 H12 F12 N6 P2 -","2","0.166667","","Grottel, M.; de Kozak, A.; Koziol, A.E.; Pajak, Z.","An x-ray and NMR study of structure and ion motion in C (N H3)3 P F6","Journal of Physics: Condensed Matter","1989","1","","7069","7083","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530138","4.6227","","6.5142","","5.7186","","90","","96.616","","90","","171.059","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Pb (H P O4)","","- H O4 P Pb -","- O4 P Pb -","- O8 P2 Pb2 -","2","0.5","","Katrusiak, A.; Nelmes, R.J.","Pressure dependence of the crystal structure of lead hydrogen phosphate (Pb H P O4)","Journal of Physics: Condensed Matter","1989","1","","10165","10174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530157","13.53","","9.55","","6.96","","90","","90","","90","","899.312","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K2 (Ru Cl5 H2 O)","","- Cl5 H2 K2 O Ru -","- Cl5 K2 O Ru -","- Cl20 K8 O4 Ru4 -","4","0.5","","Khodashova, T.S.","About the structure of K2 (Ru Cl5 H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1960","1","","333","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530196","6.002","","6.002","","6.002","","90","","90","","90","","216.216","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Pb F2","","- F2 Pb -","- F2 Pb -","- F8 Pb4 -","4","0.0208333","","Koto, K.; Schulz, H.; Huggins, R.A.","Anion disorder and ionic motion in lead fluoride beta-Pb F2","Solid State Ionics","1980","1","","355","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530261","25.41","","20.32","","6.52","","90","","90","","122","","2854.94","","","","","","","","","","","","","7","B 1 1 2/b","-B 2b","15","","K4 (Eu (H2 O)4 (N C S)4) (N C S)3 (H2 O)2","","- C7 H12 Eu K4 N7 O6 S7 -","- C7 Eu K4 N7 O6 S7 -","- C28 Eu4 K16 N28 O24 S28 -","4","0.5","","Lazarev, P.I.; Aslanov, L.A.; Ionov, V.M.; Porai-Koshits, M.A.","Results of X-ray radiografic studies of potassium polyhydrates hepta rhodinates of the rare earths","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1975","1","","710","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530334","9.03","","9.03","","13.2","","90","","90","","120","","932.138","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Th2 Zn17 -","- Th2 Zn17 -","- Th6 Zn51 -","3","0.0833333","","Makarov, E.S.; Vinogradova, I.S.","The crystal structure of Th2 Zn17 and U2 Zn17","Kristallografiya","1956","1","","634","643","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530335","8.99","","8.99","","26.35","","90","","90","","120","","1844.3","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- U2 Zn17 -","- U2 Zn17 -","- U12 Zn102 -","6","0.5","","Makarov, E.S.; Vinogradov, S.I.","The crystal structure of Th2 Zn17 and U2 Zn17","Kristallografiya","1956","1","","634","643","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530489","6.0095","","6.0095","","6.0095","","90","","90","","90","","217.028","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Ag3 (P O4)","","- Ag3.09 O4 P -","- Ag3.09 O4 P -","- Ag6.18 O8 P2 -","2","0.0833333","","Newsam, J.M.; Cheetham, A.K.; Tofield, B.C.","Structural studies of the high-temperature modifications of sodium and silver orthophosphates, II-Na3 P O4 and II-Ag3 P O4, and of the low temperature form I-Ag3 P O4","Solid State Ionics","1980","1","","377","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530490","7.421","","7.421","","7.421","","90","","90","","90","","408.684","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Na2.4 Al0.2 P O4","","- Al0.2 Na2.4 O4 P -","- Al0.2 Na2.4 O4.008 P -","- Al0.8 Na9.6 O16.032 P4 -","4","0.0208333","","Newsam, J.M.; Cheetham, A.K.; Tofield, B.C.","The solid solutions Na3(1-x) Alx ()2x P O4: Room temperature powder neutron diffraction studies of the two compositions x=0.025 x=0.2","Solid State Ionics","1980","1","","395","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530591","4.15","","4.48","","11.85","","90","","90","","90","","220.315","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","Tl2 (Sb1.5 As0.5) Se4","","- As0.5 Sb1.5 Se4 Tl2 -","- As0.5 Sb1.5 Se4 Tl2 -","- As0.5 Sb1.5 Se4 Tl2 -","1","0.125","","Pinsker, Z.G.; Khitrova, V.I.","The structural analysis of some quaternary alloys Tl-Sb-As-Se","Kristallografiya","1956","1","","300","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","155724","2020-10-21","18:00:00",""
"1530592","3.99","","4.43","","11.55","","90","","90","","90","","204.154","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","Tl2 (Sb0.5 As1.5) Se4","","- As1.5 Sb0.5 Se4 Tl2 -","- As1.5 Sb0.5 Se4 Tl2 -","- As1.5 Sb0.5 Se4 Tl2 -","1","0.125","","Pinsker, Z.G.; Khitrova, V.I.","The structural analysis of some quaternary alloys Tl-Sb-As-Se","Kristallografiya","1956","1","","300","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","155725","2020-10-21","18:00:00",""
"1530738","4.25","","4.25","","29.96","","90","","90","","120","","468.652","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Sb2 Te3 -","- Sb2 Te3 -","- Sb6 Te9 -","3","0.0833333","","Semiletov, S.A.","The electron diffraction analysis of the structure of antimony telluride","Kristallografiya","1956","1","","403","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530863","3.75","","3.75","","15.92","","90","","90","","120","","193.881","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ga Se -","- Ga Se -","- Ga4 Se4 -","4","0.166667","","Tatarinova, L.I.; Auleitner, Yu.K.; Pinsker, Z.G.","The electron diffraction analysis of Ga Se","Kristallografiya","1956","1","","537","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530986","7.82","","10.441","","5.979","","90","","90","","90","","488.177","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Rb2 (S O4)","","- O4 Rb2 S -","- O4 Rb2 S -","- O16 Rb8 S4 -","4","0.5","","Weber, H.J.; Granzin, J.; Schulz, M.; Schmitz, S.; Siegert, H.","Determination and structural application of anisotropic bond polarisabilities in complex crystals","Journal of Physics: Condensed Matter","1989","1","","8543","8557","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530987","8.239","","10.937","","6.256","","90","","90","","90","","563.728","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 (S O4)","","- Cs2 O4 S -","- Cs2 O4 S -","- Cs8 O16 S4 -","4","0.5","","Weber, H.J.; Schulz, M.; Schmitz, S.; Granzin, J.; Siegert, H.","Determination and structural application of anisotropic bond polarisabilities in complex crystals","Journal of Physics: Condensed Matter","1989","1","","8543","8557","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531271","13.056","","7.2941","","15.162","","90","","103.575","","90","","1403.57","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(N H4)2 (Ge7 O15)","","- Ge7 H8 N2 O15 -","- Ge7 N2 O15 -","- Ge28 N8 O60 -","4","0.5","","Cascales, C.; Gutierrez-Puebla, E.; Ruiz-Valero, C.; Monge, M.A.","A novel microporous Ge-material containing nine-rings","International Journal of Inorganic Materials","1999","1","","181","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531736","13.945","","13.945","","13.945","","90","","90","","90","","2711.79","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li2 Cs C60","","- C60 Cs Li2 -","- C60 Cs Li2 -","- C240 Cs4 Li8 -","4","0.0208333","","Margadonna, S.; Prassides, K.; Brown, C.M.; Fitch, A.N.; Knudsen, K.D.; Tanigaki, K.; Le Bihan, T.; Mezouar, M.; Hirosawa, I.","Temperature and pressure dependence of orientational disorder and bonding in Li2 Cs C60","International Journal of Inorganic Materials","1999","1","","157","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531739","13.4147","","13.4147","","13.4147","","90","","90","","90","","2414.03","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li2 Cs C60","","- C60 Cs Li2 -","- C60 Cs Li2 -","- C240 Cs4 Li8 -","4","0.0208333","","Margadonna, S.; Le Bihan, T.; Prassides, K.; Brown, C.M.; Knudsen, K.D.; Hirosawa, I.; Fitch, A.N.; Mezouar, M.; Tanigaki, K.","Temperature and pressure dependence of orientational disorder and bonding in Li2 Cs C60","International Journal of Inorganic Materials","1999","1","","157","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532621","6.384","","6.384","","13.227","","90","","90","","90","","539.072","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","K (H4 F5)","","- F5 H4 K -","- F5 H4 K -","- F20 H16 K4 -","4","0.25","","Coyle, B.A.; Schroeder, L.W.; Ibers, J.A.","The structure of potassium tetrahydrogen pentafluoride","Journal of Solid State Chemistry","1970","1","","386","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534180","5.492","","5.503","","25.53","","90","","90","","90","","771.58","","","","","","","","","","","","","4","F 2 2 2","F 2 2","22","","Pb Bi2 Nb2 O9","","- Bi2 Nb2 O9 Pb -","- Bi2 Nb2 O9 Pb -","- Bi8 Nb8 O36 Pb4 -","4","0.25","","Aurivillius, B.","Mixed bismuth oxides with layer lattices. I. The structure type of Ca Nb2 Bi2 O9","Arkiv foer Kemi","1949","1","","463","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534181","5.405","","5.442","","25.11","","90","","90","","90","","738.586","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bi3 Nb Ti O9","","- Bi3 Nb O9 Ti -","- Bi3 Nb O9 Ti -","- Bi12 Nb4 O36 Ti4 -","4","0.125","","Aurivillius, B.","Mixed bismuth oxides with layer lattices. I. The structure type of Ca Bi2 Nb2 O9","Arkiv foer Kemi","1949","1","","463","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534182","5.41","","5.448","","32.84","","90","","90","","90","","967.916","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Bi4 Ti3 O12","","- Bi4 O12 Ti3 -","- Bi4 O12 Ti3 -","- Bi16 O48 Ti12 -","4","0.125","","Aurivillius, B.","Mixed bismuth oxides with layer lattices. II. Structure of Bi4 Ti3 O12","Arkiv foer Kemi","1949","1","","499","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","160693","2020-10-21","18:00:00",""
"1534726","19.72","","7.712","","7.823","","90","","96.5","","90","","1182.08","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Zn (Ag (S C N)2)2","","- C4 Ag2 N4 S4 Zn -","- C4 Ag2 N4 S4 Zn -","- C16 Ag8 N16 S16 Zn4 -","4","1","","Lu, S.-F.; He, M.-Y.; Huang, J.-L.","The Crystal Structure of Bimetallic Zinc(II) Silver(I) Tetrathiocyanate Complex Zn Ag2 (S C N)4","Journal of Structural Chemistry (China)","1982","1","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535414","7.273","","7.273","","7.273","","90","","90","","90","","384.716","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Na6 Al4 Si4 O17","","- Al4 Na6 O17 Si4 -","- Al4 Na6.0032 O17.0048 Si4 -","- Al4 Na6.0032 O17.0048 Si4 -","1","0.0104167","","Borchert, W.; Keidel, J.","Beitraege zur Reaktionsfaehigkeit der Silikate bei niedrigen Temperaturen. II. Mitteilung. Die Strukturen Na2 O-reicher Carnegieite","Beitraege zur Mineralogie und Petrographie (-11,1965)","1947","1","","17","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","162787","2020-10-21","18:00:00",""
"1535417","7.273","","7.273","","7.273","","90","","90","","90","","384.716","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Na8 Al4 Si4 O18","","- Al4 Na8 O18 Si4 -","- Al4 Na7.9968 O18.0032 Si4 -","- Al4 Na7.9968 O18.0032 Si4 -","1","0.0104167","","Borchert, W.; Keidel, J.","Beitraege zur Reaktionsfaehigkeit der Silikate bei niedrigen Temperaturen. II. Mitteilung. Die Strukturen Na2 O-reicher Carnegieite","Beitraege zur Mineralogie und Petrographie (-11,1965)","1947","1","","17","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","162791","2020-10-21","18:00:00",""
"1535993","4.55","","4.55","","2.91","","90","","90","","90","","60.244","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Rh V O4","","- O4 Rh V -","- O4 Rh V -","- O4 Rh V -","1","0.0625","","Vernon, L.W.; Milligan, W.O.","The crystal structure of rutile-like heavy metal orthovanadates","Texas Journal of Science","1951","1","","82","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535996","4.58","","4.58","","3.06","","90","","90","","90","","64.188","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Sb V O4","","- O4 Sb V -","- O4 Sb V -","- O4 Sb V -","1","0.0625","","Vernon, L.W.; Milligan, W.O.","The crystal structure of rutile-like heavy metal orthovanadates","Texas Journal of Science","1951","1","","82","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535999","4.58","","4.58","","2.95","","90","","90","","90","","61.88","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Ti V O4","","- O4 Ti V -","- O4 Ti V -","- O4 Ti V -","1","0.0625","","Vernon, L.W.; Milligan, W.O.","The crystal structure of rutile-like heavy metal orthovanadates","Texas Journal of Science","1951","1","","82","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536098","7.563","","8.533","","5.056","","90","","94.78","","90","","325.155","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Zn0.9875 Mn0.0125)2 (Zn0.275 Mn0.725) (P O4)2","","- Mn0.75 O8 P2 Zn2.25 -","- Mn0.75 O8 P2 Zn2.25 -","- Mn1.5 O16 P4 Zn4.5 -","2","0.5","","Nord, A.G.; Stefanidis, T.","Strong Zn2+/Mn2+ cation ordering among five- and sixcoordinated sites in gamma-(Zn.75 Mn.25)3 (P O4)2","Polyhedron","1982","1","","349","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537446","6.968","","11.98","","12.87","","90","","99.8","","90","","1058.67","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","((C O)2 (P H3)4 Cr)","","- C2 H12 Cr O2 P4 -","- C2 Cr O2 P4 -","- C8 Cr4 O8 P16 -","4","0.5","","Huttner, G.; Schelle, S.","Crystal and molecular structure of cis-dicarbonyl tetraphosphinechromium(0), ((C O)2 (P H3)4 Cr)","Journal of Crystal and Molecular Structure","1971","1","","69","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537615","5.986","","5.986","","5.986","","90","","90","","90","","214.492","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ge Te -","- Ge Te -","- Ge4 Te4 -","4","0.0208333","","Abrikosov, N.Kh.; Danilova-Dobryakova, G.T.","An investigation of the structural diagram of Sb2 Te3 - Ge Te","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1965","1","","187","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537779","5.381","","5.381","","5.381","","90","","90","","90","","155.808","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Pr O2","","- O2 Pr -","- O2 Pr -","- O8 Pr4 -","4","0.0208333","","Croatto, U.; Bruno, M.","Edifici cristallini con disordine reticolare. Esistenza e struttura di cristalli misti anomali tra biossidi e sesquiossidi di terre rare","Int. Congr. Pure Appl. Chem. Proc.","1947","1","","69","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537884","6.422","","6.422","","6.422","","90","","90","","90","","264.857","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La Te -","- La Te -","- La4 Te4 -","4","0.0208333","","Eliseev, A.A.; Antonova, L.I.; Kuznetsov, V.G.; Yarembash, E.I.; Stoyantsova, Z.P.","X-ray study of the tellurides of lanthanum","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1965","1","","943","952","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537887","9.619","","9.619","","9.619","","90","","90","","90","","890","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- La3 Te4 -","- La3 Te4 -","- La12 Te16 -","4","0.0833333","","Eliseev, A.A.; Yarembash, E.I.; Kuznetsov, V.G.; Antonova, L.I.; Stoyantsova, Z.P.","X-ray study of the tellurides of lanthanum","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1965","1","","943","952","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537985","2.6655","","2.6655","","4.9467","","90","","90","","120","","30.437","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Li Zn99)0.02","","- Li0.02 Zn1.98 -","- Li0.02 Zn1.98 -","- Li0.02 Zn1.98 -","1","0.0416667","","Farrar, R.A.; King, H.W.","Axial ratios and solubility limits of H.C.P. eta phases in the systems Cd - Au, Cd - Li, and Zn - Li","Metallography","1968","1","","79","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","166381","2020-10-21","18:00:00",""
"1538006","3.16","","3.16","","3.16","","90","","90","","90","","31.554","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Pd -","- Mg Pd -","- Mg Pd -","1","0.0208333","","Ferro, R.","Research on the alloys of noble metals with the more electropositive elements II. Micrographic and roentgenographic examination of the magnesium-palladium alloys","Journal of the Less-Common Metals","1959","1","","424","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538127","6.338","","6.338","","6.338","","90","","90","","90","","254.599","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg2 Si -","- Mg2 Si -","- Mg8 Si4 -","4","0.0208333","","Glazov, V.M.; Glagoleva, N.N.","Change in the nature of the chemical bond in compounds of magnesium with Si, Ge, Sn and Pb upon melting","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1965","1","","989","995","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538204","8.787","","8.787","","8.787","","90","","90","","90","","678.456","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- La Mg2 -","- La Mg2 -","- La8 Mg16 -","8","0.0416667","","Iandelli, A.","Intermetallic compounds of the rare earth metals","National physical laboratory, UK, symposium","1959","1","","3F-2","3F-11","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538213","7.181","","7.181","","7.181","","90","","90","","90","","370.301","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Y -","- Ni2 Y -","- Ni16 Y8 -","8","0.0416667","","Ibarra, M.R.; del Moral, A.","Magnetostriction and thermal expansion in rare earth-Ni2 intermetallic compounds","Proc.-Int. Conf. Magn. Rare-Earths Actinides","1983","1","","92","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538236","8.504","","8.504","","8.504","","90","","90","","90","","614.992","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Sr Y2 S4","","- S4 Sr Y2 -","- S4 Sr0.999 Y2.001 -","- S16 Sr3.996 Y8.004 -","4","0.0833333","","Ishida, Y.; Koizumi, M.; Miyamoto, Y.; Kinomura, N.; Kume, S.","Syntheses of Eu Ln2 S4 and Sr Ln2S 4 (Ln= Lu, Yb, Er, Y) with Th3P4 type structure","High Pressure Sci. Technol.","1979","1","","1026","1032","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538239","8.425","","8.425","","8.425","","90","","90","","90","","598.012","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Sr Yb2 S4","","- S4 Sr Yb2 -","- S4 Sr0.999 Yb2.001 -","- S16 Sr3.996 Yb8.004 -","4","0.0833333","","Ishida, Y.; Kinomura, N.; Miyamoto, Y.; Koizumi, M.; Kume, S.","Syntheses of Eu Ln2 S4 and Sr Ln2S 4 (Ln= Lu, Yb, Er, Y) with Th3P4 type structure","High Pressure Sci. Technol.","1979","1","","1026","1032","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538314","12.285","","12.285","","3.833","","90","","90","","90","","578.481","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","K0.475 (W O3)","","- K0.475 O3 W -","- K0.474 O3 W -","- K4.74 O30 W10 -","10","0.625","","Magneli, A.","The crystal structure of tetragonal potassium tungsten bronze","Arkiv foer Kemi","1949","1","","213","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538315","18.31999","","3.79","","14.04","","90","","115.03","","90","","883.286","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","W O2.72","","- O2.72 W -","- O2.72222 W -","- O49 W18 -","18","4.5","","Magneli, A.","Crystal structure studies on gamma-tungsten oxide","Arkiv foer Kemi","1949","1","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538317","12.1","","3.78","","23.4","","90","","95","","90","","1066.2","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","W O2.90","","- O2.9 W -","- O2.9 W -","- O58 W20 -","20","5","","Magneli, A.","Crystal structure studies on beta-tungsten oxide","Arkiv foer Kemi","1949","1","","513","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538588","6.089","","6.089","","6.089","","90","","90","","90","","225.755","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ni2 Sn Ti -","- Ni2 Sn Ti -","- Ni8 Sn4 Ti4 -","4","0.0208333","","Jeitschko, W.","Transition metal stannides with Mg Ag As and Mn Cu2 Al type structure","Metallurgical Transactions","1970","1","","3159","3162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538590","6.083","","6.083","","6.083","","90","","90","","90","","225.089","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Hf Ni Sn -","- Hf Ni Sn -","- Hf4 Ni4 Sn4 -","4","0.0416667","","Jeitschko, W.","Transition metal stannides with Mg Ag As and Mn Cu2 Al type structure","Metallurgical Transactions","1970","1","","3159","3162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538661","3.67","","3.67","","25.61","","90","","90","","120","","298.726","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","K Sn S2","","- K S2 Sn -","- K S2 Sn -","- K3 S6 Sn3 -","3","0.0833333","","le Blanc, A.; Danot, M.; Rouxel, J.","No. 22. Sur l'insertion de metaux alcalins dans la structure CdI2 du disulfure d'etain","Bulletin de la Societe Chimique de France (Vol=Year)","1969","1","","87","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538771","3.684","","3.684","","3.684","","90","","90","","90","","49.999","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pr Zn -","- Pr Zn -","- Pr Zn -","1","0.0208333","","Mason, J.T.; Chiotti, P.","Phase relations and crystallographic data for the Pr-Zn system","Metallurgical Transactions","1970","1","","2119","2123","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538859","9.645","","9.645","","9.645","","90","","90","","90","","897.236","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Re24 Zr5 -","- Re24 Zr5 -","- Re48 Zr10 -","2","0.0416667","","Kripyakevich, P.I.; Tylkina, M.A.; Savitskii, E.M.","A new compound in the Re-Zr system and its crystal structure","Izvestiya Vysshikh Uchebnykh Zavedenii, Tsvetnaya Metallurgiya","1960","1","","12","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538915","5.927","","5.927","","5.927","","90","","90","","90","","208.212","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Mn Ni Sb -","- Mn Ni Sb -","- Mn4 Ni4 Sb4 -","4","0.0416667","","Otto, M.J.; van der Valk, P.J.; van Woerden, R.A.M.; Wijngaard, J.; Buschow, K.H.J.; Haas, C.; van Bruggen, C.F.","Half-metallic ferromagnets: I. Structure and magnetic properties of Ni Mn Sb and related inter-metallic compounds","Journal of Physics: Condensed Matter","1989","1","","2341","2350","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538917","6.195","","6.195","","6.195","","90","","90","","90","","237.752","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Mn Pt Sb -","- Mn Pt Sb -","- Mn4 Pt4 Sb4 -","4","0.0416667","","Otto, M.J.; van Woerden, R.A.M.; van der Valk, P.J.; Haas, C.; Wijngaard, J.; van Bruggen, C.F.; Buschow, K.H.J.","Half-metallic ferromagnets: I. Structure and magnetic properties of Ni Mn Sb and related inter-metallic compounds","Journal of Physics: Condensed Matter","1989","1","","2341","2350","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538925","5.498","","5.498","","6.839","","90","","90","","120","","179.033","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Nd2 Tl -","- Nd2 Tl -","- Nd4 Tl2 -","2","0.0833333","","Palenzona, A.; Franceschi, E.","Sur la structure cristalline des composes TR2 Tl","Colloques Internationaux du Centre National de la Recherche Scientifique","1970","1","","135","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538995","3.903","","3.903","","3.903","","90","","90","","90","","59.456","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pd Pt -","- Pd Pt -","- Pd2 Pt2 -","2","0.0104167","","Raub, E.","Metals and alloys of the platinum group","Journal of the Less-Common Metals","1959","1","","3","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538997","3.862","","3.862","","3.862","","90","","90","","90","","57.602","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ir Pd -","- Ir Pd -","- Ir2 Pd2 -","2","0.0104167","","Raub, E.","Metals and alloys of the platinum group","Journal of the Less-Common Metals","1959","1","","3","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539063","4.518","","4.518","","4.518","","90","","90","","90","","92.223","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Hf N -","- Hf N -","- Hf4 N4 -","4","0.0208333","","Rudy, E.","The crystal structutres of Hf3 N2 and Hf4 N3","Metallurgical Transactions","1970","1","","1249","1252","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539173","4.792","","4.792","","4.792","","90","","90","","90","","110.04","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","V6 Sn Si","","- Si Sn V6 -","- Si Sn V6 -","- Si Sn V6 -","1","0.0208333","","Savitskii, E.M.; Baron, V.V.; Efimov, Yu.V.; Gladyshevskii, E.I.","Investigation of the structure and the properties of alloys of the system V3 Si - V3 Sn","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1965","1","","191","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539176","4.893","","4.893","","4.893","","90","","90","","90","","117.146","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Mo3 Si -","- Mo3 Si -","- Mo6 Si2 -","2","0.0416667","","Savitskii, E.M.; Gladyshevskii, E.I.; Baron, V.V.; Efimov, Yu.V.","The solubilityof some transition metals in V3 Si and their influence on its temperature of transition to the superconducting state","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1965","1","","327","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539376","4.413","","4.413","","9.026","","90","","90","","90","","175.777","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Nd Te2 -","- Nd Te2 -","- Nd2 Te4 -","2","0.125","","Yarembash, E.I.; Zinchenko, K.A.; Eliseev, A.A.","Neodymium tellurides","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1965","1","","50","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539484","13.28","","3.99","","13.55","","90","","90","","90","","717.977","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb3 Se4","","- Se4 Yb3 -","- Se4 Yb3 -","- Se16 Yb12 -","4","0.5","","Souleau, C.; Laruelle, P.; Guittard, M.","No3. Systemes Yb Se - L2 Se3","Bulletin de la Societe Chimique de France (Vol=Year)","1969","1","","9","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","168408","2020-10-21","18:00:00",""
"1539608","8.4875","","8.4875","","5.7901","","90","","90","","90","","417.105","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Attfield, J.P.","Exchange striction and exchange constants in Bi2 Cu O4","Journal of Physics: Condensed Matter","1989","1","","7045","7053","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540886","4.762","","4.762","","4.762","","90","","90","","90","","107.986","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Ti1.122 V4.878 Si2","","- Si2 Ti1.122 V4.878 -","- Si2 Ti1.122 V4.878 -","- Si2 Ti1.122 V4.878 -","1","0.0208333","","Savitskii, E.M.; Baron, V.V.; Efimov, Yu.V.; Gladyshevskii, E.I.","The solubility of some transition metals in V3 Si and their influence on its temperature of transition to the superconducting state","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1965","1","","327","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","172058","2020-10-21","18:00:00",""
"1540887","4.74","","4.74","","4.74","","90","","90","","90","","106.496","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","V5.442 Zr0.558 Si2","","- Si2 V5.442 Zr0.558 -","- Si2 V5.442 Zr0.558 -","- Si2 V5.442 Zr0.558 -","1","0.0208333","","Savitskii, E.M.; Baron, V.V.; Efimov, Yu.V.; Gladyshevskii, E.I.","The solubilityof some transition metals in V3 Si and their influence on its temperature of transition to the superconducting state","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1965","1","","327","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","172059","2020-10-21","18:00:00",""
"1540888","4.931","","4.931","","4.931","","90","","90","","90","","119.896","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Sn V3 -","- Sn V3 -","- Sn2 V6 -","2","0.0416667","","Savitskii, E.M.; Gladyshevskii, E.I.; Baron, V.V.; Efimov, Yu.V.","Investigation of the structure and the properties of alloys of the system V3 Si - V3 Sn","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1965","1","","191","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541073","5.445","","5.445","","6.778","","90","","90","","120","","174.032","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Sm2 Tl -","- Sm2 Tl -","- Sm4 Tl2 -","2","0.0833333","","Palenzona, A.; Franceschi, E.","Sur la structure cristaline des composes TR2 Tl","Colloques Internationaux du Centre National de la Recherche Scientifique","1970","1","","135","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541118","4.677","","4.677","","4.677","","90","","90","","90","","102.306","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Sm Sn3 -","- Sm Sn3 -","- Sm Sn3 -","1","0.0208333","","Percheron, A.","Etude du systeme etain-samarium","Colloques Internationaux du Centre National de la Recherche Scientifique","1970","1","","165","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541721","14.62","","10.82","","5.56","","90","","90","","111.7","","817.198","","","","","","","","","","","","","5","P 1 1 21","P 2c","4","","(N2 H6)2 Nb O F7","","- F7 H12 N4 Nb O -","- F7 H12 N4 Nb O -","- F28 H48 N16 Nb4 O4 -","4","2","","Pakhomov, V.I.; Kaidalova, T.A.; Il'in, E.G.; Buslaev, Yu.A.","Structure of the Hydrazonium Oxoheptafluoroniobate Complex","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1975","1","","37","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","203633","2020-10-21","18:00:00",""
"1541787","8.646","","7.329","","13.884","","90","","129.17","","90","","682.072","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Ba2 K (P O3)5","","- Ba2 K O15 P5 -","- Ba2 K O15 P5 -","- Ba4 K2 O30 P10 -","2","1","","Martin, C.; Tordjman, I.; Mitschler, A.","Barium potassium polyphosphate, Ba2 K (P O3)5","Crystal Structure Communications","1972","1","","349","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541870","9.27","","12.39","","6.22","","90","","105.6","","90","","688.083","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tl2 Cu (H2 O)6 (S O4)2","","- Cu H12 O14 S2 Tl2 -","- Cu H12 O14 S2 Tl2 -","- Cu2 H24 O28 S4 Tl4 -","2","0.5","","Shields, K.G.; van der Zee, J.J.; Kennard, C.H.L.","Thallium hexaaquacopper(II) sulfate, Cu H12 O14 S2 Tl2 (neutron)","Crystal Structure Communications","1972","1","","371","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541871","9.42","","12.785","","6.28","","90","","105.9","","90","","727.394","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cs2 (Cu (H2 O)6) (S O4)2","","- Cs2 Cu H12 O14 S2 -","- Cs2 Cu H12 O14 S2 -","- Cs4 Cu2 H24 O28 S4 -","2","0.5","","Shields, K.G.; Kennard, C.H.L.","Cesium hexa-aquacopper(II) sulfate, Cs2 Cu H12 O14 S2 (neutron)","Crystal Structure Communications","1972","1","","189","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541875","7.51","","9.852","","7.461","","105.23","","118.54","","72.35","","457.519","","","","","","","","","","","","","3","P -1","-P 1","2","","Ba Ti6 O13","","- Ba O13 Ti6 -","- Ba O13 Ti6 -","- Ba2 O26 Ti12 -","2","1","","Tillmanns, E.","Barium hexatitanate, Ba Ti6 O13","Crystal Structure Communications","1972","1","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542096","2.94","","2.94","","3.5","","90","","90","","90","","30.253","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","V O.532","","- O0.532 V -","- O0.532 V -","- O1.064 V2 -","2","0.0625","","Tucker, C.W.; Seybolt, A.U.; Sumsion, H.T.","The location of oxygen atoms in vanadium-oxygen alloys by means of neutron diffraction","Acta Metallurgica","1953","1","","390","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542452","11.5613","0.0007","16.4245","0.0013","8.873","0.0006","90","","107.768","0.006","90","","1604.5","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide","","- C16 H21 F N2 O3 S -","- C16 H21 F N2 O3 S -","- C64 H84 F4 N8 O12 S4 -","4","1","HB4006","Efimov, Ilya; Slepukhin, Pavel; Beliaev, Nikolai; Bakulev, Vasiliy","(<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide","IUCrData","2016","1","1","x160013","","10.1107/S2414314616000134","","","0.7107","MoKα","","0.0778","0.0464","","","0.1167","0.1371","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542453","17.743","0.0007","37.3075","0.0019","6.142","0.0002","90","","90","","90","","4065.7","0.3","120","2","119.99","","","","","","","","","4","F d d 2","F 2 -2d","43","","2-(Phenylsulfanyl)aniline","","- C12 H11 N S -","- C12 H11 N S -","- C192 H176 N16 S16 -","16","1","","Mdluli, Velabo; Golen, James A.; Manke, David R.","2-(Phenylsulfanyl)aniline","IUCrData","2016","1","1","x152489","","10.1107/S241431461502489X","","","0.71073","MoKα","","0.0258","0.0229","","","0.0538","0.0554","","","","","","1.098","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542454","6.1889","0.0018","6.614","0.002","7.835","0.002","90","","93.503","0.009","90","","320.11","0.16","120","2","120.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-Bromo-5-methylpyridine","","- C6 H6 Br N -","- C6 H6 Br N -","- C12 H12 Br2 N2 -","2","0.5","SU4009","Roy, Mrittika; Golen, James A.; Manke, David R.","2-Bromo-5-methylpyridine","IUCrData","2016","1","1","x160090","","10.1107/S2414314616000900","","","0.71073","MoKα","","0.0273","0.0228","","","0.0556","0.0596","","","","","","1.0987","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542455","10.2208","0.0005","10.8693","0.0006","18.1059","0.0006","90","","90","","90","","2011.44","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C80 H80 N32 O8 -","8","1","ZQ4001","Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T.","1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde","IUCrData","2016","1","1","x160038","","10.1107/S2414314616000389","","","0.71069","MoKα","","0.0757","0.0467","","","0.123","0.1378","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542456","13.7434","0.0013","12.6277","0.0013","18.763","0.0018","90","","98.352","0.007","90","","3221.7","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{[1,1'-Bis(diphenylphosphino)ferrocene]digold}sulfide methanol monosolvate","μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ<i>P</i>,<i>P</i>']gold} methanol monosolvate","","- C35 H32 Au2 Fe O P2 S -","- C35 H32 Au2 Fe O P2 S -","- C140 H128 Au8 Fe4 O4 P8 S4 -","4","1","SJ4004","Itai, Takuma; Kojima, Tatsuhiro; Konno, Takumi","μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>,<i>P</i>']gold} methanol monosolvate","IUCrData","2016","1","1","x152492","","10.1107/S241431461502492X","","","0.71075","MoKα","","0.0409","0.0307","","","0.0502","0.0524","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","177503","2020-10-21","18:00:00",""
"1542457","9.2984","0.0012","9.3261","0.0014","12.5747","0.0016","107.16","0.002","103.719","0.003","96.55","0.002","992.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ<i>O</i>)bis{2-[4-(pyridin-2-yl)phenyl]-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>'}cadmium(II)","","- C52 H36 Cd N10 O4 -","- C52 H36 Cd N10 O4 -","- C52 H36 Cd N10 O4 -","1","0.5","CV4002","Guo, Lei-Qun; Jiang, Yin-Hua","Bis(acetato-κ<i>O</i>)bis{2-[4-(pyridin-2-yl)phenyl]-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>'}cadmium(II)","IUCrData","2016","1","1","x160063","","10.1107/S2414314616000638","","","0.71073","MoKα","","0.0555","0.0494","","","0.117","0.1224","","","","","","1.067","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542458","14.3033","0.0006","10.3598","0.0004","20.2825","0.0009","90","","105.468","0.002","90","","2896.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-4,5-dihydroimidazolium tetraphenylborate","","- C34 H40 B N3 O2 -","- C34 H40 B N3 O2 -","- C136 H160 B4 N12 O8 -","4","1","FF4001","Tiritiris, Ioannis; Kantlehner, Willi","2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-4,5-dihydroimidazolium tetraphenylborate","IUCrData","2016","1","1","x160109","","10.1107/S2414314616001097","","","0.71073","MoKα","","0.1172","0.0649","","","0.1256","0.1482","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542459","8.0307","0.0002","14.4939","0.0003","22.2528","0.0006","90","","98.814","0.002","90","","2559.55","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(η^2^,η^2^-Cycloocta-1,5-diene)(η^5^-indenyl)cobalt(I)","","- C17 H19 Co -","- C17 H19 Co -","- C136 H152 Co8 -","8","2","","Jungk, Phillip; Spannenberg, Anke; Hapke, Marko","Crystal structure of (η^2^,η^2^-cycloocta-1,5-diene)(η^5^-indenyl)cobalt(I)","IUCrData","2016","1","1","x160027","","10.1107/S2414314616000274","","","0.71073","MoKα","","0.0265","0.0221","","","0.0593","0.0603","","","","","","1.028","","","","has coordinates,has Fobs","177506","2020-10-21","18:00:00",""
"1542460","10.5015","0.0012","23.561","0.003","7.7533","0.0006","90","","96.604","0.008","90","","1905.6","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl[(<i>E</i>)-2-(1-methyl-5-nitro-1<i>H</i>-imidazol-4-yl)ethenyl]amine","","- C8 H12 N4 O2 -","- C8 H12 N4 O2 -","- C64 H96 N32 O16 -","8","2","","Beliaev, Nikolai; Slepukhin, Pavel","Crystal structure of dimethyl[(<i>E</i>)-2-(1-methyl-5-nitro-1<i>H</i>-imidazol-4-yl)ethenyl]amine","IUCrData","2016","1","1","x152488","","10.1107/S2414314615024888","","","0.71073","MoKα","","0.1139","0.0379","","","0.0619","0.0655","","","","","","1.003","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542461","9.205","0.006","9.688","0.007","12.943","0.009","104.871","0.011","91.465","0.007","100.983","0.012","1091.8","1.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","Tramadolium 2-chlorobenzoate","[2-Hydroxy-2-(3-methoxyphenyl)cyclohexylmethyl]dimethylammonium 2-chlorobenzoate","","- C23 H30 Cl N O4 -","- C23 H30 Cl N O4 -","- C46 H60 Cl2 N2 O8 -","2","1","HB4009","Sheshadri, S. N.; Nagendra, P.; Siddaraju, B. P.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.","Tramadolium 2-chlorobenzoate","IUCrData","2016","1","1","x160014","","10.1107/S2414314616000146","","","0.71075","MoKα","","0.0667","0.0471","","","0.1022","0.1113","","","","","","1.025","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542462","5.2434","0.0004","25.902","0.002","7.7027","0.0006","90","","104.756","0.005","90","","1011.64","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Chloro-1-phenylpentan-1-one","","- C11 H13 Cl O -","- C11 H13 Cl O -","- C44 H52 Cl4 O4 -","4","1","CV4001","Bechmann, Nicole; Kniess, Torsten; Pietzsch, Jens; König, Jonas; Köckerling, Martin","5-Chloro-1-phenylpentan-1-one","IUCrData","2016","1","1","x160055","","10.1107/S2414314616000559","","","0.71073","MoKα","","0.0916","0.0426","","","0.086","0.1075","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542463","16.1061","0.0019","19.891","0.002","15.254","0.003","90","","90","","90","","4886.9","1.2","100","","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V)","","- C48 H40 Mo4 O16 P4 -","- C48 H40 Mo4 O16 P4 -","- C192 H160 Mo16 O64 P16 -","4","0.5","SJ4007","Mota Merelo de Aguiar, Sara Raquel; Stöger, Berthold; Weil, Matthias; Kirchner, Karl","Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V)","IUCrData","2016","1","1","x160036","","10.1107/S2414314616000365","","","0.71073","MoKα","","0.0524","0.0386","","","0.078","0.09","","","","","","1.272","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542464","8.9361","0.0006","14.832","0.001","18.968","0.0013","90","","101.613","0.001","90","","2462.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(pyridine-κ<i>N</i>)cadmium(II)","","- C23 H25 Cd N3 S4 -","- C23 H25 Cd N3 S4 -","- C92 H100 Cd4 N12 S16 -","4","1","SJ4002","Ehsan, Muhammad Ali; Mazhar, Muhammad; Tiekink, Edward R. T.","Bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(pyridine-κ<i>N</i>)cadmium(II)","IUCrData","2016","1","1","x152429","","10.1107/S2414314615024293","","","0.71073","MoKα","","0.0234","0.0202","","","0.0489","0.0508","","","","","","1.04","","","","has coordinates,has Fobs","177512","2020-10-21","18:00:00",""
"1542465","11.0767","0.0012","12.067","0.0013","12.16","0.0013","90.825","0.002","102.561","0.0019","95.142","0.002","1579.1","0.3","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","1-[5-(2-Chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethan-1-one","","- C18 H17 Cl N2 O -","- C18 H17 Cl N2 O -","- C72 H68 Cl4 N8 O4 -","4","2","","Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Brighten Antony, Moonnanjilikkal; Ali Khan, Musthakeem","1-[5-(2-Chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethan-1-one","IUCrData","2016","1","1","x152460","","10.1107/S2414314615024608","","","0.71073","MoKα","","0.0431","0.0396","","","0.1155","0.1189","","","","","","1.097","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542466","13.225","0.0005","15.0844","0.0006","8.4294","0.0003","90","","93.951","0.003","90","","1677.59","0.11","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{4,5-Dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(8-hydroxyquinolinato-κ<i>N</i>,<i>O</i>)platinum(II)","","- C20 H19 N O3 Pt -","- C20 H19 N O3 Pt -","- C80 H76 N4 O12 Pt4 -","4","1","WM4002","Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc","{4,5-Dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(8-hydroxyquinolinato-κ<i>N</i>,<i>O</i>)platinum(II)","IUCrData","2016","1","1","x152428","","10.1107/S2414314615024281","","","0.71073","MoKα","","0.0184","0.0153","","","0.0328","0.034","","","","","","1.048","","","","has coordinates","177514","2020-10-21","18:00:00",""
"1542467","7.328","0.0004","17.0138","0.0007","8.9223","0.0004","90","","107.818","0.005","90","","1059.05","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(2-Hydroxybenzyl)azaniumyl]propanoate monohydrate","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","VM4003","Baul, Tushar S. Basu; Chaurasiya, Anurag; Tiekink, Edward R. T.","3-[(2-Hydroxybenzyl)azaniumyl]propanoate monohydrate","IUCrData","2016","1","1","x152453","","10.1107/S2414314615024530","","","0.71073","MoKα","","0.0505","0.0408","","","0.1015","0.1093","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542468","8.1476","0.0002","17.6289","0.0004","8.8692","0.0003","90","","114.835","0.004","90","","1156.1","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 2,2'-({[1,4-phenylenebis(azanediyl)]bis(methylene)}bis(1<i>H</i>-pyrrole-2,1-diyl))diacetate","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C48 H60 N8 O8 -","2","0.5","SU4008","Alshawi, Jasim; Yousif, Muoayed; Timco, Grigore; Zangana, Karzan H.; Winpenny, Richard; Al-Jeboori, Mohamad J.","Diethyl 2,2'-({[1,4-phenylenebis(azanediyl)]bis(methylene)}bis(1<i>H</i>-pyrrole-2,1-diyl))diacetate","IUCrData","2016","1","1","x160046","","10.1107/S2414314616000468","","","0.71073","MoKα","","0.098","0.0535","","","0.1145","0.1349","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542469","9.654","0.0007","9.9211","0.0006","11.2854","0.0008","73.537","0.003","88.138","0.003","72.42","0.003","986.5","0.12","200","","200","","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-(phenylsulfanyl)anilido-κ^2^<i>N</i>:<i>N</i>]bis[bis(tetrahydrofuran-κ<i>O</i>)lithium]","","- C40 H52 Li2 N2 O4 S2 -","- C40 H52 Li2 N2 O4 S2 -","- C40 H52 Li2 N2 O4 S2 -","1","0.5","WM4006","Mdluli, Velabo; Golen, James A.; Manke, David R.","Bis[μ-2-(phenylsulfanyl)anilido-κ^2^<i>N</i>:<i>N</i>]bis[bis(tetrahydrofuran-κ<i>O</i>)lithium]","IUCrData","2016","1","1","x160130","","10.1107/S2414314616001309","","","0.71073","MoKα","","0.0499","0.0419","","","0.1022","0.1105","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542470","6.0366","0.0004","7.6215","0.0005","23.0837","0.0014","90","","91.737","0.003","90","","1061.55","0.12","92","2","92","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-1-ferrocenylethanol","","- C12 H13 Cl Fe O -","- C12 H13 Cl Fe O -","- C48 H52 Cl4 Fe4 O4 -","4","1","HB4003","McAdam, C. John; Simpson, Jim","2-Chloro-1-ferrocenylethanol","IUCrData","2016","1","1","x160102","","10.1107/S2414314616001024","","","0.71073","MoKα","","0.0406","0.0349","","","0.0904","0.0941","","","","","","1.033","","","","has coordinates","177518","2020-10-21","18:00:00",""
"1542471","8.1839","0.0002","9.1461","0.0003","11.7669","0.0004","106.557","0.003","97.687","0.002","96.63","0.002","825.65","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one)","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C36 H52 N4 O4 -","2","1","SU4002","Abdelhamida, Antar A.; Mohamed, Shaaban K.; Simpson, Jim","3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one)","IUCrData","2016","1","1","x152175","","10.1107/S2414314615021756","","x-ray","1.54184","CuKα","","0.0423","0.0391","","","0.0995","0.1033","","","","","","1.098","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542472","5.4194","0.0008","9.0619","0.0012","9.4607","0.0013","81.285","0.011","82.771","0.011","77.208","0.011","445.8","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetraethyl pyrazine-2,3,5,6-tetracarboxylate","","- C16 H20 N2 O8 -","- C16 H20 N2 O8 -","- C16 H20 N2 O8 -","1","0.5","","Wang, Yi; Stoeckli-Evans, Helen","Tetraethyl pyrazine-2,3,5,6-tetracarboxylate","IUCrData","2016","1","1","x152174","","10.1107/S2414314615021744","","","0.71073","MoKα","","0.0837","0.0492","","","0.1137","0.1239","","","","","","0.857","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542473","21.494","0.004","6.43","0.0013","19.193","0.004","90","","99.98","0.03","90","","2612.5","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethylammonium 2-amino-5-nitroterephthalate hemihydrate","","- C10 H14 N8 O6.5 -","- C10 H14 N3 O6.5 -","- C80 H112 N24 O52 -","8","1","","Krueger, Martin; Albat, Martin; Pieper, Florian; Stock, Norbert","Dimethylammonium 2-amino-5-nitroterephthalate hemihydrate","IUCrData","2016","1","1","x160048","","10.1107/S2414314616000481","","","0.71073","MoKα","","0.113","0.0509","","","0.1128","0.1394","","","","","","1.001","","","","has coordinates,has Fobs","194547","2020-10-21","18:00:00",""
"1542474","9.7194","0.0003","9.4737","0.0003","17.9416","0.0008","90","","105.386","0.001","90","","1592.83","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(morpholine-4-carboxamidinium) sulfate","","- C10 H24 N6 O6 S -","- C10 H24 N6 O6 S -","- C40 H96 N24 O24 S4 -","4","1","ZL4002","Tiritiris, Ioannis; Kantlehner, Willi","Morpholine-4-carboxamidinium sulfate","IUCrData","2016","1","1","x160069","","10.1107/S2414314616000699","","","0.71073","MoKα","","0.0383","0.031","","","0.0812","0.086","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542475","12.1957","0.0009","7.9654","0.0005","30.4821","0.0018","90","","97.934","0.004","90","","2932.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzyl-<i>N</i>-[2-(<i>N</i>-benzyl-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidiniumyl)ethyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium dibromide 1.5-hydrate","","- C26 H45 Br2 N6 O1.5 -","- C26 H45 Br2 N6 O1.5 -","- C104 H180 Br8 N24 O6 -","4","1","SJ4008","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>-Benzyl-<i>N</i>-[2-(<i>N</i>-benzyl-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidiniumyl)ethyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium dibromide 1.5-hydrate","IUCrData","2016","1","1","x160047","","10.1107/S241431461600047X","","","0.71073","MoKα","","0.07","0.0404","","","0.0794","0.088","","","","","","1.02","","","","has coordinates,has Fobs","177523","2020-10-21","18:00:00",""
"1542476","15.1282","0.0005","7.25666","0.00017","16.3038","0.0005","90","","108.013","0.003","90","","1702.11","0.09","95","2","95.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-η)-prop-2-en-1-yl]benzene}(pyridine-κ<i>N</i>)platinum(II)","","- C16 H19 Cl2 N O2 Pt -","- C16 H19 Cl2 N O2 Pt -","- C64 H76 Cl8 N4 O8 Pt4 -","4","1","SU4003","Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc","<i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-η)-prop-2-en-1-yl]benzene}(pyridine-κ<i>N</i>)platinum(II)","IUCrData","2016","1","1","x152176","","10.1107/S2414314615021768","","","0.71073","MoKα","","0.0285","0.0242","","","0.0485","0.0511","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","177524","2020-10-21","18:00:00",""
"1542477","7.0474","0.0003","9.7775","0.0005","12.8695","0.0006","71.744","0.003","89.177","0.004","72.582","0.004","800.44","0.07","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","6-Methyl-2-[(6-methylpyridin-2-yl)amino]pyridinium chloride chloroform monosolvate","","- C13 H15 Cl4 N3 -","- C13 H15 Cl4 N3 -","- C26 H30 Cl8 N6 -","2","1","HB4005","Klass, Michaela; Näther, Christian; Tuczek, Felix","6-Methyl-2-[(6-methylpyridin-2-yl)amino]pyridinium chloride chloroform monosolvate","IUCrData","2016","1","1","x152467","","10.1107/S2414314615024670","","","0.71073","MoKα","","0.0464","0.0366","","","0.0956","0.0998","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542478","10.5878","0.0015","10.5878","0.0015","4.1528","0.0008","90","","90","","120","","403.17","0.11","293","2","293","2","","","","","","","","4","P -6","P -6","174","","Hexabarium lead(II) dodecafluoride dichloride","","- Ba5.78 Cl2 F12 Pb1.22 -","- Ba5.78 Cl2 F12 Pb1.22 -","- Ba5.78 Cl2 F12 Pb1.22 -","1","0.166667","HB4002","Weil, Matthias","The solid solution Ba~5.78~Pb~1.22~F~12~Cl~2~","IUCrData","2016","1","1","x152427","","10.1107/S241431461502427X","","","0.71073","MoKα","","0.0663","0.0568","","","0.1213","0.1272","","","","","","1.049","","","","has coordinates,has Fobs","177526","2020-10-21","18:00:00",""
"1542479","13.669","0.0007","10.817","0.0006","10.9271","0.0007","90","","109.365","0.007","90","","1524.25","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(3-(<i>tert</i>-butoxycarbonyl)phenyl)- 3-methylpyridine-1-oxide","<i>tert</i>-Butyl 3-(3-methyl-1-oxidopyridin-1-ium-2-yl)benzoate","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","ZS2359","Laus, Gerhard; Kahlenberg, Volker; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig","<i>tert</i>-Butyl 3-(3-methyl-1-oxidopyridin-1-ium-2-yl)benzoate","IUCrData","2016","1","1","x152490","","10.1107/S2414314615024906","","","1.54184","CuKα","","0.0756","0.0531","","","0.137","0.1577","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542480","10.2774","0.0007","7.4256","0.0005","17.4094","0.0011","90","","92.472","0.006","90","","1327.38","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-diazaphosphole","","- C15 H13 N2 P -","- C15 H13 N2 P -","- C60 H52 N8 P4 -","4","1","ZS2358","Duan, Lian; Ma, Fengle; Zheng, Wenjun","1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-diazaphosphole","IUCrData","2016","1","1","x160083","","10.1107/S2414314616000833","","","0.71073","MoKα","","0.1208","0.0584","","","0.0996","0.1216","","","","","","1.008","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542481","7.3066","0.0004","7.9672","0.0004","12.8467","0.0007","72.994","0.003","86.5","0.003","87.152","0.003","713.42","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 2-(5-bromo-2-iodoanilino)cyclopent-1-ene-1-carboxylate","","- C14 H15 Br I N O2 -","- C14 H15 Br I N O2 -","- C28 H30 Br2 I2 N2 O4 -","2","1","WM4001","Barnes, Paul; Storey, John M. D.; Harrison, William T. A.","Ethyl 2-(5-bromo-2-iodoanilino)cyclopent-1-ene-1-carboxylate","IUCrData","2016","1","1","x152178","","10.1107/S2414314615021781","","","0.71073","MoKα","","0.0803","0.0552","","","0.1208","0.1328","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542482","17.662","0.004","8.2854","0.0017","5.9719","0.0012","90","","91.38","0.03","90","","873.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Disodium <i>p</i>-terphenyl-4,4''-disulfonate","","- C18 H12 Na2 O6 S2 -","- C18 H12 Na2 O6 S2 -","- C36 H24 Na4 O12 S4 -","2","0.5","","Albat, Martin; Stock, Norbert","Polymeric structure of disodium <i>p</i>-terphenyl-4,4''-disulfonate [Na~2~(O~3~S-C~6~H~4~-C~6~H~4~-C~6~H~4~-SO~3~]","IUCrData","2016","1","1","x160039","","10.1107/S2414314616000390","","","0.71073","MoKα","","0.0986","0.0483","","","0.0937","0.1031","","","","","","1.049","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542483","12.1802","0.0005","7.3646","0.0004","13.9001","0.0008","90","","112.276","0.003","90","","1153.82","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(2,5-Dichloroanilino)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]methanol","","- C10 H10 Cl2 N4 O -","- C10 H10 Cl2 N4 O -","- C40 H40 Cl8 N16 O4 -","4","1","HB4004","Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T.","[1-(2,5-Dichloroanilino)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]methanol","IUCrData","2016","1","1","x152447","","10.1107/S2414314615024475","","","0.71069","MoKα","","0.0654","0.0431","","","0.1053","0.1174","","","","","","1.063","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542484","5.0283","0.0004","5.058","0.0004","20.8394","0.0018","86.645","0.002","83.338","0.003","68.908","0.005","491.08","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","<i>L</i>-Methionine–succinic acid (2/1)","","- C14 H28 N2 O8 S2 -","- C14 H28 N2 O8 S2 -","- C14 H28 N2 O8 S2 -","1","1","","Nageshwari, M.; Kumaresan, S.; Caroline, M. Lydia; Mani, G.; Kumari, C. Rathika Thaya; Sudha, S.; Jayaprakash, P.","<small>L</small>-Methionine–succinic acid (2/1)","IUCrData","2016","1","1","x152459","","10.1107/S2414314615024591","","","0.71073","MoKα","","0.066","0.0634","","","0.1697","0.1711","","","","","","1.114","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542485","11.2972","0.0008","13.0708","0.001","21.3833","0.0017","90","","98.4","0.002","90","","3123.7","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis[2-(ethylsulfanyl)phenyl]cyclobutane","","- C36 H40 S4 -","- C36 H40 S4 -","- C144 H160 S16 -","4","0.5","HB4001","Sohr, Barbara; Glöcklhofer, Florian; Stöger, Berthold; Weil, Matthias; Fröhlich, Johannes","<i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis[2-(ethylsulfanyl)phenyl]cyclobutane","IUCrData","2016","1","1","x152426","","10.1107/S2414314615024268","","","0.71073","MoKα","","0.0531","0.0409","","","0.0572","0.058","","","","","","3.21","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542486","16.0067","0.0004","8.9455","0.0001","16.1617","0.0004","90","","128.853","0.004","90","","1802.17","0.12","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione","","- C21 H22 Br N O4 -","- C21 H22 Br N O4 -","- C84 H88 Br4 N4 O16 -","4","1","VM4001","Abdelhamid, Antar A.; Mohamed, Shaaban K.; Simpson, Jim","9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione","IUCrData","2016","1","1","x152425","","10.1107/S2414314615024256","","","1.54184","CuKα","","0.0184","0.0183","","","0.0474","0.0474","","","","","","1.056","","","","has coordinates,has disorder","301779","2025-08-18","16:06:44",""
"1542487","7.8958","0.0002","8.0536","0.0002","25.2735","0.0008","90","","97.909","0.002","90","","1591.84","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6-Bromo-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","","- C15 H16 Br N O2 S2 -","- C15 H16 Br N O2 S2 -","- C60 H64 Br4 N4 O8 S8 -","4","1","BV4001","Vinduvahini, M.; Anitha, B. R.; Kumar, K. Mahesh; Kotresh, O.; Devarajegowda, H. C.","(6-Bromo-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","IUCrData","2016","1","1","x160015","","10.1107/S2414314616000158","","","0.71073","MoKα","","0.038","0.0303","","","0.0719","0.0744","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542488","6.907","0.004","10.32","0.007","10.707","0.007","68.331","0.014","81.936","0.015","71.917","0.012","673.9","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","(Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethan-1-aminium}dichloridozinc(II)","","- C6 H16 Cl2 N2 O2 S2 Zn -","- C6 H16 Cl2 N2 O2 S2 Zn -","- C12 H32 Cl4 N4 O4 S4 Zn2 -","2","1","GW2155","Kuwamura, Naoto; Laskar, Payel; Konno, Takumi","(Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethanaminium}dichloridozinc(II)","IUCrData","2016","1","1","x160105","","10.1107/S241431461600105X","","","0.71075","MoKα","","0.0639","0.0486","","","0.1174","0.1272","","","","","","1.104","","","","has coordinates,has Fobs","177537","2020-10-21","18:00:00",""
"1542489","6.9841","0.0014","8.3241","0.0018","13.116","0.003","89.276","0.009","75.614","0.009","72.095","0.01","701.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-Allyl-5-(3-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","","- C14 H13 N O2 S2 -","- C14 H13 N O2 S2 -","- C28 H26 N2 O4 S4 -","2","1","IS4001","El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","(<i>Z</i>)-3-Allyl-5-(3-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","IUCrData","2016","1","1","x160052","","10.1107/S2414314616000523","","","0.71073","MoKα","","0.0517","0.0392","","","0.1051","0.1171","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542490","7.621","0.005","10.753","0.005","13.138","0.005","92.102","0.005","93.806","0.005","91.275","0.005","1073.2","1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 4-(3-chlorophenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C24 H24 Cl N O4 -","- C24 H24 Cl N O4 -","- C48 H48 Cl2 N2 O8 -","2","1","HB4010","Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.","Diethyl 4-(3-chlorophenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2016","1","1","x160155","","10.1107/S2414314616001553","","","0.71073","MoKα","","0.0599","0.0439","","","0.1107","0.1221","","","","","","1.019","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542491","7.4235","0.0004","9.6339","0.0004","7.5209","0.0003","90","","99.728","0.002","90","","530.14","0.04","92","2","92","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-1-ferrocenylethanone","","- C12 H11 Cl Fe O -","- C12 H11 Cl Fe O -","- C24 H22 Cl2 Fe2 O2 -","2","1","WM4003","McAdam, C. John; Simpson, Jim","2-Chloro-1-ferrocenylethanone","IUCrData","2016","1","1","x152177","","10.1107/S241431461502177X","","","0.71073","MoKα","","0.021","0.0206","","","0.0524","0.0527","","","","","","1.061","","","","has coordinates,has Fobs","177540","2020-10-21","18:00:00",""
"1542492","20.944","0.006","9.316","0.003","24.309","0.007","90","","90","","90","","4743","2","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","","- C25 H20 O12 -","- C25 H20 O12 -","- C200 H160 O96 -","8","1","ZS2360","Moriguchi, Tetsuji; Sakao, Kozue; Hou, De-Xing; Yoza, Kenji","3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","IUCrData","2016","1","1","x160028","","10.1107/S2414314616000286","","","0.71073","MoKα","","0.0838","0.0616","","","0.156","0.1789","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542493","20.7072","0.0008","20.4462","0.0008","12.8292","0.0005","90","","107.294","0.001","90","","5186.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>-Triethylethanaminium 5,11,17,23-tetra-<i>tert</i>-butyl-25-cyanomethoxy-26,28-dihydroxy-27-oxido-2,8,14,20-tetrathiacalix[4]arene","","- C50 H68 N2 O4 S4 -","- C50 H68 N2 O4 S4 -","- C200 H272 N8 O16 S16 -","4","1","SU4010","Omran, Omran A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Mohamed, Alaa F.","<i>N</i>,<i>N</i>,<i>N</i>-Triethylethanaminium 5,11,17,23-tetra-<i>tert</i>-butyl-25-cyanomethoxy-26,28-dihydroxy-27-oxido-2,8,14,20-tetrathiacalix[4]arene: a molecular salt","IUCrData","2016","1","1","x160115","","10.1107/S2414314616001152","","","1.54178","CuKα","","0.0506","0.0462","","","0.1317","0.136","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542494","10.922","0.005","11.661","0.005","13.641","0.006","86.619","0.005","79.75","0.005","62.441","0.005","1515.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(η4-NBD)Ru(η2-3,5-tBu2dp)2","(η^4^-Bicyclo[2.2.1]hepta-2,5-diene)bis(η^2^-3,5-di-<i>tert</i>-butyl-1,2,4-diazaphospholido)ruthenium","","- C27 H44 N4 P2 Ru -","- C27 H44 N4 P2 Ru -","- C54 H88 N8 P4 Ru2 -","2","1","LH4001","Ren, Lili; Zheng, Wenjun","(η^4^-Bicyclo[2.2.1]hepta-2,5-diene)bis(η^2^-3,5-di-<i>tert</i>-butyl-1,2,4-diazaphospholido)ruthenium","IUCrData","2016","1","1","x160110","","10.1107/S2414314616001103","","","0.71073","MoKα","","0.055","0.0405","","","0.0965","0.1024","","","","","","1","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542495","7.4556","0.0011","12.9055","0.0019","16.334","0.002","90","","95.063","0.005","90","","1565.5","0.4","120","2","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Bromo-1<i>H</i>-indole-2,3-dione hemihydrate","","- C8 H5 Br N O2.5 -","- C8 H5 Br N O2.5 -","- C64 H40 Br8 N8 O20 -","8","1","TK4001","Turbitt, John R.; Golen, James A.; Manke, David R.","6-Bromo-1<i>H</i>-indole-2,3-dione hemihydrate","IUCrData","2016","1","1","x152434","","10.1107/S2414314615024347","","","0.71073","MoKα","","0.0298","0.0237","","","0.0617","0.0651","","","","","","1.085","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542496","7.351","0.003","12.452","0.004","13.423","0.005","90","","90","","90","","1228.7","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C48 H64 N8 O8 S4 -","4","1","VM4002","Jamaludin, Nazzatush Shimar; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea","IUCrData","2016","1","1","x152457","","10.1107/S2414314615024578","","","0.71073","MoKα","","0.0337","0.0309","","","0.0715","0.0733","","","","","","1.017","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542497","12.1691","0.0009","13.1263","0.001","12.275","0.0009","90","","99.818","0.001","90","","1932","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>syn</i>-6,15-Dihydroxy-2,11-dithia[3.3]metacyclophane ethyl acetate monosolvate","","- C20 H24 O4 S2 -","- C20 H24 O4 S2 -","- C80 H96 O16 S8 -","4","1","BH4001","Moriguchi, Tetsuji; Miyamoto, Daisuke; Jalli, Ventakaprasad; Yoza, Kenji; Tsuge, Akihiko","<i>syn</i>-6,15-Dihydroxy-2,11-dithia[3.3]metacyclophane ethyl acetate monosolvate","IUCrData","2016","1","1","x160082","","10.1107/S2414314616000821","","","0.71073","MoKα","","0.0623","0.0431","","","0.092","0.0996","","","","","","1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542502","12.209","0.0005","20.3796","0.0014","7.4335","0.0009","90","","95.98","0.004","90","","1839.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(5-Methyl-benzofuran-3-yl)-acetic acid","2-(5-Methyl-1-benzofuran-3-yl)acetic acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","2","","Ramprasad, N.; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha","2-(5-Methyl-1-benzofuran-3-yl)acetic acid","IUCrData","2016","1","2","x160170","","10.1107/S241431461600170X","","","0.71073","MoKα","","0.0828","0.0414","","","0.0943","0.1149","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542503","22.135","0.004","8.468","0.0016","8.6198","0.0017","90","","93.287","0.002","90","","1613","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole","","- C18 H20 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","HB4011","Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko","2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole","IUCrData","2016","1","2","x160167","","10.1107/S241431461600167X","","","0.71073","MoKα","","0.0368","0.0309","","","0.0883","0.1014","","","","","","1.109","","","","has coordinates,has Fobs","177481","2020-10-21","18:00:00",""
"1542504","5.1565","0.0006","12.4881","0.0009","15.1083","0.0012","90","","90","","90","","972.9","0.15","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-3-nitroquinolin-4(1<i>H</i>)-one","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","","Limbach, Daniel; Stengelin, Elena; Schollmeyer, Dieter; Detert, Heiner","1-Ethyl-3-nitroquinolin-4(1<i>H</i>)-one","IUCrData","2016","1","2","x160125","","10.1107/S2414314616001255","","","0.71073","MoKα","","0.0384","0.0331","","","0.0836","0.0879","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542505","8.877","0.001","14.533","0.002","17.748","0.002","90","","90","","90","","2289.7","0.5","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Limonin","(4a<i>S</i>,14b<i>R</i>)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1<i>H</i>,3<i>H</i>-oxireno[2,3-<i>d</i>]pyrano[4',3':3,3a]isobenzofuro[5,4-<i>f</i>]isochromene-3,8,10(6<i>H</i>,9a<i>H</i>)-trione","","- C26 H30 O8 -","- C26 H30 O8 -","- C104 H120 O32 -","4","1","SU5274","Bauri, A. K.; Foro, Sabine; Nhu, Quynh Nguyen Do","Limonin isolated from the seeds of <i>Citrus limetta</i> (Indian sweet lemon)","IUCrData","2016","1","2","x160172","","10.1107/S2414314616001723","","","1.5418","CuKα","","0.044","0.036","","","0.106","0.1103","","","","","","1.104","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542506","11.6767","0.0003","16.2058","0.0003","9.1417","0.0002","90","","99.486","0.002","90","","1706.23","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(7,8-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","","- C18 H21 N O2 S2 -","- C18 H21 N O2 S2 -","- C72 H84 N4 O8 S8 -","4","1","HB4015","Ravi, A. J.; Kumar, K. Mahesh; Devarajegowda, H. C.","(7,8-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","IUCrData","2016","1","2","x160171","","10.1107/S2414314616001711","","","0.71073","MoKα","","0.0862","0.0487","","","0.1233","0.1404","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542507","5.4965","0.0005","11.9528","0.001","17.7702","0.0018","90","","95.354","0.003","90","","1162.38","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6<i>H</i>-Dipyrido[1,2-<i>a</i>:2',1'-<i>d</i>][1,3,5]triazin-5-ium bromide monohydrate","","- C11 H12 Br N3 O -","- C11 H12 Br N3 O -","- C44 H48 Br4 N12 O4 -","4","1","","Jiang, Xian-Wu; Zhang, Heng-Qiang; Sun, Zhuo-Dong; Shan, Yong-Kui","6<i>H</i>-Dipyrido[1,2-<i>a</i>:2',1'-<i>d</i>][1,3,5]triazin-5-ium bromide monohydrate","IUCrData","2016","1","2","x160180","","10.1107/S2414314616001802","","","0.71073","MoKα","","0.0666","0.0386","","","0.0789","0.0882","","","","","","1.018","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542508","10.9608","0.0009","9.5199","0.0008","14.0262","0.0011","90","","95.398","0.001","90","","1457.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(3-Chlorophenyl)-1-(3-chloropropyl)piperazin-1-ium chloride","","- C13 H19 Cl3 N2 -","- C13 H19 Cl3 N2 -","- C52 H76 Cl12 N8 -","4","1","HB4012","Bhat, Muzzaffar Ahmad; Srivastava, Sanjay K.; Sharma, Pooja; Chopra, Ambika; Butcher, Ray J.","4-(3-Chlorophenyl)-1-(3-chloropropyl)piperazin-1-ium chloride redetermined at 100K","IUCrData","2016","1","2","x160168","","10.1107/S2414314616001681","","","0.71073","MoKα","","0.0328","0.0296","","","0.0811","0.0833","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542509","6.9573","0.0002","7.9838","0.0002","15.6037","0.0004","75.485","0.002","87.122","0.001","75.763","0.001","813.22","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","","- C17 H19 N O3 S2 -","- C17 H19 N O3 S2 -","- C34 H38 N2 O6 S4 -","2","1","HB4013","Anitha, B. R.; Roopashree, K. R.; Kumar, K. Mahesh; Ravi, A. J.; Devarajegowda, H. C.","(5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","IUCrData","2016","1","2","x160169","","10.1107/S2414314616001693","","","0.71073","MoKα","","0.0348","0.0298","","","0.0826","0.0844","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542510","14.1885","0.0005","17.5801","0.0007","22.2543","0.0009","72.911","0.005","86.243","0.006","80.123","0.006","5226.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-pentamethyl-<i>N</i>''- [2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone monosolvate","","- C62 H74 B2 N4 O -","- C62 H74 B2 N4 O -","- C248 H296 B8 N16 O4 -","4","2","ZL4004","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-Pentamethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone monosolvate","IUCrData","2016","1","2","x160231","","10.1107/S2414314616002315","","","0.71073","MoKα","","0.0694","0.0462","","","0.0975","0.1085","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:45",""
"1542511","7.344","0.001","14.831","0.001","15.267","0.001","79.094","0.01","79.627","0.01","87.508","0.01","1606.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Ferrocenymethyl-<i>N</i>-phenylacetamide","","- C19 H19 Fe N O -","- C19 H19 Fe N O -","- C76 H76 Fe4 N4 O4 -","4","2","SJ5494","Khelef, Abdelhamid; Mahboub, Mohammed Sadok; Lanez, Touhami","<i>N</i>-Ferrocenymethyl-<i>N</i>-phenylacetamide","IUCrData","2016","1","2","x160203","","10.1107/S2414314616002030","","","0.71073","MoKα","","0.0673","0.0424","","","0.1003","0.1148","","","","","","1.023","","","","has coordinates,has Fobs","177489","2020-10-21","18:00:00",""
"1542512","7.6138","0.0009","13.9658","0.0017","7.3866","0.001","90","","91.249","0.005","90","","785.25","0.17","298","2","297.68","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Iodo-1<i>H</i>-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","SU4013","Golen, James A.; Manke, David R.","4-Iodo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160215","","10.1107/S2414314616002157","","","0.71073","MoKα","","0.0437","0.0332","","","0.0761","0.0819","","","","","","1.193","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542513","11.1568","0.0006","9.7852","0.0004","12.5715","0.0006","90","","107.055","0.01","90","","1312.09","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[silver(I)-μ-[1-(pyridin-2-ylmethyl-κ<i>N</i>)-3-(3-sulfonatopropyl)imidazolin-2-ylidene]-κ<i>C</i>^2^]","","- C12 H14 Ag N3 O3 S -","- C12 H14 Ag N3 O3 S -","- C48 H56 Ag4 N12 O12 S4 -","4","1","HB4016","Rietzler, Barbara; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","<i>catena</i>-Poly[silver(I)-μ-[1-(pyridin-2-ylmethyl-κ<i>N</i>)-3-(3-sulfonatopropyl)imidazolin-2-ylidene]-κ<i>C</i>^2^]","IUCrData","2016","1","2","x160245","","10.1107/S2414314616002455","","","0.71073","MoKα","","0.0464","0.0315","","","0.0605","0.0657","","","","","","1.024","","","","has coordinates,has Fobs","177491","2020-10-21","18:00:00",""
"1542514","6.588","0.002","16.582","0.005","19.448","0.007","90","","95.051","0.007","90","","2116.3","1.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzyl)[(<i>R</i>)-1-phenylethyl]amine","2,4-Di-<i>tert</i>-butyl-6-({[(<i>R</i>)-1-phenylethyl]amino}methyl)phenol","","- C23 H33 N O -","- C23 H33 N O -","- C92 H132 N4 O4 -","4","2","HB4018","Zhang, Fangqin; Zhang, Yongbin; Liu, Diansheng","2,4-Di-<i>tert</i>-butyl-6-({[(<i>R</i>)-1-phenylethyl]amino}methyl)phenol","IUCrData","2016","1","2","x160205","","10.1107/S2414314616002054","","","0.71073","MoKα","","0.1689","0.0844","","","0.1694","0.2116","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:45",""
"1542515","6.9957","0.0007","12.0819","0.001","20.904","0.002","90","","97.296","0.01","90","","1752.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate","","- C38 H30 N4 O12 Pt S2 -","- C38 H30 N4 O12 Pt S2 -","- C76 H60 N8 O24 Pt2 S4 -","2","0.5","IM4001","Liu, Jing; Zhu, Long-Guan","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate","IUCrData","2016","1","2","x160211","","10.1107/S241431461600211X","","","0.71073","MoKα","","0.0786","0.0496","","","0.1105","0.1216","","","","","","1.159","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542516","6.24258","0.00011","11.4063","0.0002","26.2386","0.0005","90","","90.1171","0.0007","90","","1868.31","0.06","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzyl 3-(3,4,5-trimethoxybenzylidene)dithiocarbazate","","- C18 H20 N2 O3 S2 -","- C18 H20 N2 O3 S2 -","- C72 H80 N8 O12 S8 -","4","1","","Islam, M. A. A. A. A.; Sheikh, M. C.; Mahmud, A. A.; Miyatake, R.; Zangrando, E.","Benzyl 3-(3,4,5-trimethoxybenzylidene)dithiocarbazate","IUCrData","2016","1","2","x160190","","10.1107/S2414314616001905","","","1.54187","CuKα","","","0.0373","","","","0.0978","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542517","4.988","0.0003","5.5522","0.0003","24.2578","0.0012","90","","90","","90","","671.8","0.06","298","2","297.95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Fluoro-1<i>H</i>-indole-2,3-dione","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","SJ4011","Golen, James A.; Manke, David R.","6-Fluoro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160165","","10.1107/S2414314616001656","","","1.54178","CuKα","","0.039","0.0386","","","0.1112","0.1115","","","","","","1.1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542518","13.8527","0.0005","10.4892","0.0004","16.7462","0.0006","90","","103.034","0.002","90","","2370.6","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Octamethylbut-2-yne)bisamidinium bis(tetraphenylborate)","","- C60 H64 B2 N4 -","- C60 H64 B2 N4 -","- C120 H128 B4 N8 -","2","0.5","HB4007","Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Octamethyl(but-2-yne)bisamidinium bis(tetraphenylborate)","IUCrData","2016","1","2","x160166","","10.1107/S2414314616001668","","","0.71073","MoKα","","0.051","0.0401","","","0.105","0.1125","","","","","","1.018","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542519","25.1411","0.0018","5.6851","0.0004","5.1593","0.0003","90","","90","","90","","737.42","0.09","120","2","120.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Bromo-1<i>H</i>-indole-2,3-dione","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","FF4002","Gurung, Sita; Golen, James A.; Manke, David R.","5-Bromo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160177","","10.1107/S2414314616001772","","","0.71073","MoKα","","0.0297","0.025","","","0.053","0.0543","","","","","","1.121","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542520","11.4419","0.0003","14.1461","0.0005","18.8503","0.0009","110.635","0.0013","101.824","0.001","97.8879","0.0008","2720.7","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone disolvate","","- C64 H78 B2 N4 O2 -","- C64 H78 B2 N4 O2 -","- C128 H156 B4 N8 O4 -","2","1","ZL4003","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone disolvate","IUCrData","2016","1","2","x160129","","10.1107/S2414314616001292","","","0.71073","MoKα","","0.067","0.0501","","","0.1265","0.1382","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:45",""
"1542528","6.8759","0.0004","8.2563","0.0005","12.0403","0.0007","109.156","0.002","103.979","0.002","91.485","0.002","622.41","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(3<i>E</i>)-5-Chloro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C14 H10 Cl N3 O -","- C14 H10 Cl N3 O -","- C28 H20 Cl2 N6 O2 -","2","1","","Bittencourt, Viviane C. D.; Almeida, Roberta M. F. C.; Bortoluzzi, Adailton J.; Gervini, Vanessa C.; de Oliveira, Adriano Bof","(3<i>E</i>)-5-Chloro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","IUCrData","2016","1","2","x160258","","10.1107/S2414314616002583","","","0.71073","MoKα","","0.046","0.0345","","","0.0985","0.1036","","","","","","1.093","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542529","3.832","0.0007","13.072","0.002","15.004","0.003","90","","91.917","0.007","90","","751.2","0.2","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-1<i>H</i>-indole-2,3-dione","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","VM4006","Golen, James A.; Manke, David R.","7-Bromo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160268","","10.1107/S2414314616002686","","","0.71073","MoKα","","0.0344","0.0286","","","0.0694","0.072","","","","","","1.185","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542530","9.4495","0.0006","10.0608","0.0006","12.3484","0.0008","109.133","0.001","91.964","0.001","106.201","0.001","1054.79","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","5-[2,4-Dihydroxy-5-(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)-3-methoxyphenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione pentahydrate","","- C15 H22 N4 O16 -","- C15 H22 N4 O16 -","- C30 H44 N8 O32 -","2","1","","Bengiat, Ravell; Klein, Asne; Gil, Maayan; Bogoslavsky, Benny; Cohen, Shmuel; Yardeni, Guy; Zilbermann, Israel; Almog, Joseph","5-[2,4-Dihydroxy-5-(5-hydroxy-2,4,6-trioxo-3,5-dihydro-1<i>H</i>-pyrimidin-5-yl)-3-methoxyphenyl]-5-hydroxy-3,5-dihydro-1<i>H</i>-pyrimidine-2,4,6-trione pentahydrate","IUCrData","2016","1","2","x160261","","10.1107/S2414314616002613","","","0.71073","MoKα","","0.049","0.045","","","0.1288","0.133","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542531","11.913","0.0009","11.445","0.001","20.7458","0.0017","90","","90","","90","","2828.6","0.4","120","2","120.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]","","- C26 H30 Cl4 N6 Ni2 O2 -","- C26 H30 Cl4 N6 Ni2 O2 -","- C104 H120 Cl16 N24 Ni8 O8 -","4","0.5","LH5805","Glazier, Brian M.; Golen, James A.; Manke, David R.","Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]","IUCrData","2016","1","2","x160259","","10.1107/S2414314616002595","","","1.54178","CuKα","","0.0466","0.0315","","","0.0677","0.0729","","","","","","1.044","","","","has coordinates,has Fobs","176772","2020-10-21","18:00:00",""
"1542532","7.3655","0.0011","13.689","0.002","7.2866","0.0012","90","","93.378","0.005","90","","733.4","0.2","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-1<i>H</i>-indole-2,3-dione","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","VM4004","Huang, Haobo; Golen, James A.; Manke, David R.","4-Bromo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160007","","10.1107/S2414314616000079","","","0.71073","MoKα","","0.0209","0.0185","","","0.0477","0.0493","","","","","","1.08","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542540","8.9771","0.0005","12.868","0.0008","14.5449","0.0009","90","","90","","90","","1680.19","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Caesium tetramethylammonium dodecahydro-<i>closo</i>-dodecaborate monohydrate","","- C4 H26 B12 Cs N O -","- C4 H26 B12 Cs N O -","- C16 H104 B48 Cs4 N4 O4 -","4","1","WM4007","Tiritiris, Ioannis; Schleid, Thomas","Caesium tetramethylammonium dodecahydrido-<i>closo</i>-dodecaborate monohydrate","IUCrData","2016","1","2","x160291","","10.1107/S2414314616002911","","","0.71073","MoKα","","0.0259","0.0241","","","0.0616","0.0628","","","","","","1.054","","","","has coordinates,has Fobs","176884","2020-10-21","18:00:00",""
"1542541","5.6473","0.0002","26.7798","0.0009","13.3219","0.0004","90","","99.743","0.002","90","","1985.66","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 3-amino-6-methyl-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-2,5-dicarboxylate","","- C22 H22 N2 O4 S -","- C22 H22 N2 O4 S -","- C88 H88 N8 O16 S4 -","4","1","ZP4002","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","Diethyl 3-amino-6-methyl-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-2,5-dicarboxylate","IUCrData","2016","1","2","x160270","","10.1107/S2414314616002704","","","1.54178","CuKα","","0.0481","0.0372","","","0.0876","0.0936","","","","","","1.065","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542542","6.778","0.003","6.953","0.003","9.458","0.004","109.182","0.006","93.369","0.006","98.437","0.006","413.7","0.3","173","","173","","","","","","","","","4","P 1","P 1","1","","4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate","","- C16 H22 N2 O7 -","- C16 H22 N2 O7 -","- C16 H22 N2 O7 -","1","1","RZ4001","Numata, Takashi; Ikenomoto, Shun; Akitsu, Takashiro","4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate","IUCrData","2016","1","2","x160252","","10.1107/S2414314616002522","","","0.71073","MoKα","","0.0394","0.0383","","","0.1009","0.1025","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542601","6.4998","0.0002","7.4286","0.0002","14.8289","0.0004","84.859","0.002","86.707","0.002","83.313","0.002","707.47","0.03","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-Chloro-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide","","- C14 H8 Cl F3 N2 O -","- C14 H8 Cl F3 N2 O -","- C28 H16 Cl2 F6 N4 O2 -","2","1","IS4002","Maheswari, R.; Manjula, J.; Gunasekaran, B.","(<i>E</i>)-4-Chloro-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide","IUCrData","2016","1","3","x160304","","10.1107/S2414314616003047","","","0.71073","MoKα","","0.0579","0.0419","","","0.1111","0.1203","","","","","","0.994","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542602","9.9339","0.0011","10.6614","0.0009","12.6802","0.0014","90","","105.863","0.011","90","","1291.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Hydroxy-1-(2-hydroxybenzoyl)-3-methyl-5-(trifluoromethyl)pyrazoline","(5-Hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)(2-hydroxyphenyl)methanone","","- C12 H11 F3 N2 O3 -","- C12 H11 F3 N2 O3 -","- C48 H44 F12 N8 O12 -","4","1","SU4011","Avezov, Kuvondik G.; Umarov, Bako B.; Talipov, Samat A.; Kunafiev, Rishad J.; Ibragimov, Bakhtiyar T.","(5-Hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)(2-hydroxyphenyl)methanone","IUCrData","2016","1","3","x160316","","10.1107/S2414314616003163","","","1.54184","CuKα","","0.0906","0.0504","","","0.119","0.1447","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542726","16.401","0.002","6.9386","0.0009","20.666","0.002","90","","97.089","0.003","90","","2333.8","0.5","147","2","147","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1a<i>R</i>*,2<i>R</i>*,7<i>S</i>*,7a<i>S</i>*)-<i>rel</i>-3,6-Dimethoxy-2-methyl-1a,2,7,7a-tetrahydro-2,7-epoxy-1<i>H</i>-cyclopropa[<i>b</i>]naphthalene","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","1","HB4021","Lough, Alan J.; Carlson, Emily; Tam, William","(1a<i>R</i>*,2<i>R</i>*,7<i>S</i>*,7a<i>S</i>*)-<i>rel</i>-3,6-Dimethoxy-2-methyl-1a,2,7,7a-tetrahydro-2,7-epoxy-1<i>H</i>-cyclopropa[<i>b</i>]naphthalene","IUCrData","2016","1","3","x160341","","10.1107/S2414314616003412","","","0.71073","MoKα","","0.0672","0.0409","","","0.0909","0.1038","","","","","","1.017","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542727","12.44","0.003","13.07","0.003","13.579","0.003","93.489","0.005","117.157","0.004","115.354","0.004","1682.6","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","μ-Chlorido-bis[(dimethyl sulfoxide-κ<i>O</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] nitrate","","- C76 H72 Ag2 Cl N O5 P4 S2 -","- C76 H72 Ag2 Cl N O5 P4 S2 -","- C76 H72 Ag2 Cl N O5 P4 S2 -","1","0.5","WM4005","Li, Yun-Hua; Shao, Yong-Liang","μ-Chlorido-bis[(dimethyl sulfoxide-κ<i>O</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] nitrate","IUCrData","2016","1","3","x160332","","10.1107/S2414314616003321","","","0.71073","MoKα","","0.0707","0.0639","","","0.1477","0.1528","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","177601","2020-10-21","18:00:00",""
"1542728","5.2542","0.0017","10.374","0.003","11.341","0.004","94.937","0.003","102.429","0.003","102.811","0.003","582.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-Hexyl-3,4-dihydroxybenzamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C26 H38 N2 O6 -","2","1","SU4015","Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko","<i>N</i>-Hexyl-3,4-dihydroxybenzamide","IUCrData","2016","1","3","x160346","","10.1107/S2414314616003461","","","0.71073","MoKα","","0.0448","0.0355","","","0.085","0.0897","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542729","15.262","0.006","9.355","0.004","15.832","0.006","90","","92.858","0.004","90","","2257.6","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu-tpbn","[μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-2-ylmethyl)butane-1,4-diamine]bis[(dimethanol-κ<i>O</i>)(perchlorato-κ<i>O</i>)copper(II)] bis(perchlorate)","","- C32 H48 Cl4 Cu2 N6 O20 -","- C32 H48 Cl4 Cu2 N6 O20 -","- C64 H96 Cl8 Cu4 N12 O40 -","2","0.5","BT4002","Zhu, Xian-Hong; Li, Peng; Chen, Xiao-Wei; Ke, Wen-Shan; Chen, Fei; Zhang, Hua-Xin","[μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-2-ylmethyl)butane-1,4-diamine]bis[(dimethanol-κ<i>O</i>)(perchlorato-κ<i>O</i>)copper(II)] bis(perchlorate)","IUCrData","2016","1","3","x160344","","10.1107/S2414314616003448","","","0.71073","MoKα","","0.0453","0.0398","","","0.1148","0.1193","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542754","11.962","0.0007","9.0103","0.0005","13.2047","0.0008","90","","109.893","0.006","90","","1338.29","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Z)-N-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide","(<i>Z</i>)-<i>N</i>-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide","","- C14 H8 I N3 O2 -","- C14 H8 I N3 O2 -","- C56 H32 I4 N12 O8 -","4","1","TK4003","Moreno-Fuquen, Rodolfo; Garcia, Andres C.; Abonia, Rodrigo; Jaramillo-Gómez, Luz M.; Kennedy, Alan R.","(<i>Z</i>)-<i>N</i>-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide","IUCrData","2016","1","2","x160315","","10.1107/S2414314616003151","","","0.71073","MoKα","","0.0392","0.0319","","","0.0801","0.0866","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542755","4.5856","0.0003","14.2281","0.0009","8.3312","0.0004","90","","98.515","0.005","90","","537.57","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","0.5","HG4003","Wickramasinhage, Ravindra; McAdam, C. John; Simpson, Jim","2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde","IUCrData","2016","1","2","x160307","","10.1107/S2414314616003072","","","1.54184","CuKα","","0.072","0.0648","","","0.1815","0.1864","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:45",""
"1542756","11.0447","0.0005","13.4587","0.0006","13.9291","0.0006","64.297","0.004","82.371","0.004","85.629","0.004","1848.74","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","[η2(N,N)-Ph2Si(DippN)2Ge(μ-S)]2","1,3,7,9-Tetrakis[2,6-bis(1-methylethyl)phenyl]-2,2,8,8-tetraphenyl-5,10-dithia-1,3,7,9-tetraaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane acetonitrile monosolvate","","- C74 H91 Ge2 N5 S2 Si2 -","- C74 H91 Ge2 N5 S2 Si2 -","- C74 H91 Ge2 N5 S2 Si2 -","1","0.5","SJ4006","Guo, Wenzhen; Ma, Fengle; Zheng, Wenjun","1,3,7,9-Tetrakis[2,6-bis(1-methylethyl)phenyl]-2,2,8,8-tetraphenyl-5,10-dithia-1,3,7,9-tetraaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane acetonitrile monosolvate","IUCrData","2016","1","2","x160299","","10.1107/S2414314616002996","","","0.71073","MoKα","","0.0678","0.046","","","0.1238","0.1375","","","","","","1.075","","","","has coordinates,has Fobs","178122","2020-10-21","18:00:00",""
"1542757","12.6427","0.0006","18.8486","0.0011","15.1377","0.0009","90","","112.782","0.002","90","","3325.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium di-μ~3~-chlorido-tetra-μ~2~-chlorido-decachloridotetrabismuthate acetonitrile disolvate","","- C32 H78 Bi4 Cl16 N14 -","- C32 H78 Bi4 Cl16 N14 -","- C64 H156 Bi8 Cl32 N28 -","2","0.5","ZL4006","Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium di-μ~3~-chlorido-tetra-μ~2~-chlorido-decachloridotetrabismuthate acetonitrile disolvate","IUCrData","2016","1","2","x160317","","10.1107/S2414314616003175","","","0.71073","MoKα","","0.033","0.0211","","","0.0355","0.038","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:45",""
"1542840","11.9406","0.0016","21.3081","0.0019","5.103","0.0014","92.373","0.015","93.003","0.016","85.308","0.017","1291.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACM-CPR","","","- C27 H29 Cl N2 O7 -","- C27 H29 Cl N2 O7 -","- C54 H58 Cl2 N4 O14 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0784","1.1753","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542841","11.89","0.0008","4.9621","0.0003","21.4281","0.0014","90","","90.663","0.006","90","","1264.16","0.14","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","ACM-INA","","","- C27 H24 Cl N3 O7 -","- C27 H24 Cl N3 O7 -","- C54 H48 Cl2 N6 O14 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","","","0.71073","MoKα","","0.1248","0.0679","","","0.0795","0.0974","","","","","","1.042","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542842","16.959","0.006","4.7993","0.0015","17.285","0.005","90","","113.55","0.04","90","","1289.7","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 Cl N2 O8 -","- C28 H24 Cl N2 O8 -","- C56 H48 Cl2 N4 O16 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","","","0.71073","MoKα","","0.1999","0.0882","","","0.0964","0.1435","","","","","","0.998","","","","has coordinates,has Fobs","213154","2020-10-21","18:00:00",""
"1542843","21.7202","0.0015","5.0077","0.0014","11.8457","0.0017","90","","93.954","0.013","90","","1285.4","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 Cl N3 O7 -","- C27 H24 Cl N3 O7 -","- C54 H48 Cl2 N6 O14 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0607","2.0013","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542844","7.3994","0.0015","25.6703","0.0019","5.8254","0.0017","90.162","0.017","98.598","0.016","98.315","0.019","1082.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACM-PPZ","","","- C46 H46 Cl2 N4 O12 -","- C46 H46 Cl2 N4 O12 -","- C46 H46 Cl2 N4 O12 -","1","0.5","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0595","1.6423","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542845","7.0243","0.0014","9.4152","0.0018","10.928","0.002","82.75","0.006","79.147","0.006","76.703","0.005","688.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl4 N O -","- C12 H9 Cl4 N O -","- C24 H18 Cl8 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0417","0.0322","","","0.0802","0.0836","","","","","","1.088","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542846","6.9676","0.0007","21.336","0.002","9.1861","0.001","90","","99.139","0.007","90","","1348.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl4 N O -","- C12 H9 Cl4 N O -","- C48 H36 Cl16 N4 O4 -","4","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0395","0.033","","","0.0815","0.0846","","","","","","1.087","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542847","7.0572","0.0006","15.4665","0.0013","13.2112","0.0011","90","","98.98","0.007","90","","1424.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","2","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0276","0.0256","","","0.055","0.0558","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542848","22.638","0.005","7.2553","0.0011","18.013","0.003","90","","90.767","0.009","90","","2958.3","0.9","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C96 H64 Cl40 N8 O8 -","8","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0957","0.0925","","","0.2002","0.2015","","","","","","1.206","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542849","7.0681","0.0006","9.5008","0.0008","11.4095","0.0009","85.402","0.006","83.071","0.006","71.211","0.005","719.36","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H7 Cl5 N O -","- C12 H7 Cl5 N O -","- C24 H14 Cl10 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0705","0.0642","","","0.1448","0.1496","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542850","7.0562","0.0015","9.373","0.002","11.11","0.002","83.358","0.006","79.173","0.006","76.588","0.005","700","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Br Cl3 N O -","- C12 H9 Br Cl3 N O -","- C24 H18 Br2 Cl6 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0493","0.0394","","","0.0935","0.0978","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542851","7.083","0.003","9.354","0.004","11.456","0.005","84.118","0.007","79.555","0.007","76.553","0.007","724.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl3 I N O -","- C12 H9 Cl3 I N O -","- C24 H18 Cl6 I2 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0311","0.0276","","","0.0593","0.0697","","","","","","1.119","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542852","7.107","0.002","9.498","0.003","11.827","0.003","85.425","0.006","81.804","0.006","71.851","0.005","750.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H7 Cl4 I N O -","- C12 H7 Cl4 I N O -","- C24 H14 Cl8 I2 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0541","0.0475","","","0.1202","0.1235","","","","","","1.199","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542853","7.851","0.005","11.865","0.007","14.891","0.008","90","","106.79","0.03","90","","1328","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl4 N O -","- C12 H9 Cl4 N O -","- C48 H36 Cl16 N4 O4 -","4","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0443","0.0416","","","0.1336","0.1436","","","","","","1.139","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542854","7.208","0.009","9.333","0.01","10.884","0.013","99.035","0.014","107.107","0.006","102.219","0.01","664.8","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl4 N O -","- C12 H9 Cl4 N O -","- C24 H18 Cl8 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0452","0.0422","","","0.1161","0.139","","","","","","1.144","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542855","7.1441","0.0008","9.3027","0.001","11.8726","0.0013","77.966","0.005","74.889","0.005","77.979","0.005","735.06","0.14","150","","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0417","0.0371","","","0.0964","0.0992","","","","","","1.094","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542856","7.206","0.0008","9.2558","0.001","11.3203","0.0012","99.693","0.007","99.616","0.007","101.387","0.007","713.76","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0281","0.0252","","","0.0649","0.0665","","","","","","1.074","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542857","24.698","0.002","5.1072","0.0005","20.6682","0.0019","90","","99.673","0.012","90","","2570","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0428","0.0385","","","0.1053","0.1085","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542858","12.41","0.015","5.124","0.006","20.06","0.02","90","","92.901","0.014","90","","1274","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0607","0.0476","","","0.1336","0.1689","","","","","","1.141","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542859","4.76","0.002","11.501","0.006","12.539","0.006","77.081","0.006","86.975","0.006","81.302","0.006","661.2","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C28 H28 N4 O10 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0503","0.0402","","","0.1021","0.1083","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542860","12.6641","0.0014","26.23","0.003","35.269","0.004","90","","90","","90","","11716","2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C44 H40 Ag2 N12 O8 -","- C44 H40 Ag2 N12 O8 -","- C352 H320 Ag16 N96 O64 -","8","1","","Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong","Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution","IUCrJ","2014","1","5","318","327","10.1107/S2052252514015966","","","0.71073","MoKα","","0.1714","0.1008","","","0.2135","0.2328","","","","","","1.015","","","","has coordinates,has disorder","178188","2020-10-21","18:00:00",""
"1542861","6.4005","0.0006","26.426","0.003","35.016","0.003","90","","90","","90","","5922.6","1","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H20 Ag F3 N6 O11 -","- C24 H20 Ag F3 N6 O11 -","- C192 H160 Ag8 F24 N48 O88 -","8","0.5","","Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong","Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution","IUCrJ","2014","1","5","318","327","10.1107/S2052252514015966","","","0.71073","MoKα","","0.1297","0.0907","","","0.1745","0.1991","","","","","","1.117","","","","has coordinates,has disorder","178188","2020-10-21","18:00:00",""
"1542876","15.0004","0.0004","7.9035","0.0003","16.888","0.0006","90","","101.057","0.001","90","","1965","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Chloro-1-(prop-2-ynyl)indoline-2,3-dione","","- C11 H6 Cl N O2 -","- C11 H6 Cl N O2 -","- C88 H48 Cl8 N8 O16 -","8","1","SU4018","Bargavi, Srinivasan; Kandhasamy, Subramani; Perumal, Paramasivam T.; Lakshmi, Srinivasakannan","5-Chloro-1-(prop-2-ynyl)indoline-2,3-dione","IUCrData","2016","1","3","x160397","","10.1107/S2414314616003977","","","0.71073","MoKα","","0.0442","0.0342","","","0.0841","0.0924","","","","","","1.062","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542877","10.216","0.003","8.507","0.002","11.445","0.004","90","","101.807","0.017","90","","973.6","0.5","110","","110","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Tetramethylammonium trifluoromethanesulfonate","","- C5 H12 F3 N O3 S -","- C5 H12 F3 N O3 S -","- C20 H48 F12 N4 O12 S4 -","4","1","ZQ4003","Bourque, Jeremy L.; Baines, Kim M.","Tetramethylammonium trifluoromethanesulfonate","IUCrData","2016","1","3","x160370","","10.1107/S2414314616003709","","","0.71073","MoKα","","0.0581","0.0395","","","0.0988","0.1057","","","","","","1.059","","","","has coordinates,has Fobs","178204","2020-10-21","18:00:00",""
"1542878","18.7962","0.0011","18.7962","0.0011","36.666","0.002","90","","90","","120","","11218.5","1.1","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III)","","- C39 H90 Bi3 I12 N9 -","- C39 H90 Bi3 I12 N9 -","- C234 H540 Bi18 I72 N54 -","6","","PK4002","Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi","Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III)","IUCrData","2016","1","3","x160391","","10.1107/S2414314616003916","","","0.71073","MoKα","","0.0417","0.0236","","","0.0383","0.0417","","","","","","1.052","","","","has coordinates,has Fobs","178205","2020-10-21","18:00:00",""
"1542879","4.5284","0.0002","13.2044","0.0006","25.9133","0.0011","96.663","0.003","90.728","0.003","95.393","0.003","1531.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-1-octylindoline-2,3-dione","","- C16 H20 Br N O2 -","- C16 H20 Br N O2 -","- C64 H80 Br4 N4 O8 -","4","2","","Kharbach, Yassine; Kandri Rodi, Youssef; Capet, Frédéric; Essassi, El Mokhtar; El Ammari, Lahcen","5-Bromo-1-octylindoline-2,3-dione","IUCrData","2016","1","3","x160371","","10.1107/S2414314616003710","","","0.71073","MoKα","","0.0461","0.0315","","","0.0669","0.0701","","","","","","1.216","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542880","4.0896","0.0003","13.2139","0.001","15.1946","0.0011","90","","92.325","0.004","90","","820.43","0.1","296","2","295.85","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7-Iodoisatin","7-Iodo-1<i>H</i>-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","FF4004","Golen, James A.; Manke, David R.","7-Iodo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","3","x160412","","10.1107/S2414314616004120","","","1.54178","CuKα","","0.0398","0.0336","","","0.0734","0.0763","","","","","","1.123","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542881","3.9283","0.0004","5.9578","0.0006","15.1246","0.0014","92.925","0.003","90.62","0.004","94.71","0.004","352.28","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-Bromo-2-hydroxybenzoic acid","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C14 H10 Br2 O6 -","2","1","HB4022","Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P.","4-Bromo-2-hydroxybenzoic acid","IUCrData","2016","1","3","x160325","","10.1107/S2414314616003254","","","1.54178","CuKα","","0.033","0.0324","","","0.0806","0.0811","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542882","8.1735","0.0007","12.9313","0.0009","8.73","0.0008","90","","105.803","0.009","90","","887.83","0.13","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4,6-trimethylbenzene-1,3-diamine","2,4,6-Trimethylbenzene-1,3-diamine","","- C9 H14 N2 -","- C9 H14 N2 -","- C36 H56 N8 -","4","1","HB4017","Brihi, Ouarda; Hamdouni, Noudjoud; Boulcina, Raouf; Medjani, Meriem; Meinnel, Jean; Boudjada, Ali","Diaminomesitylene","IUCrData","2016","1","3","x160351","","10.1107/S2414314616003515","","","0.71073","MoKα","","0.09","0.0488","","0.162","0.1087","0.1029","","","","","","0.879","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542883","23.077","0.011","18.798","0.009","11.169","0.006","90","","98.744","0.007","90","","4789","4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,6-bis(trimethylsilylamino)pyridine-κ<i>N</i>^1^]{[6-bis(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^](trimethylsilyl)azanido-κ<i>N</i>}lithium","","- C33 H68 Li N9 Si6 -","- C33 H68 Li N9 Si6 -","- C132 H272 Li4 N36 Si24 -","4","1","BH4002","Rave, Justin A.; Garcia, Diego A.; Hillesheim, Patrick C.; Guillet, Gary L.","Bis[2,6-bis(trimethylsilylamino)pyridine-κ<i>N</i>^1^]{[6-bis(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^](trimethylsilyl)azanido-κ<i>N</i>}lithium","IUCrData","2016","1","3","x160338","","10.1107/S2414314616003382","","","0.71073","MoKα","","0.1312","0.0681","","","0.1345","0.1745","","","","","","1.03","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542884","6.517","0.0012","19.393","0.003","8.5991","0.0016","90","","102.287","0.005","90","","1061.9","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>tert</i>-Butyl isocyanide-κ<i>C</i>)trichloridogallium(III)","","- C5 H9 Cl3 Ga N -","- C5 H9 Cl3 Ga N -","- C20 H36 Cl12 Ga4 N4 -","4","1","WM4009","Bourque, Jeremy L.; Tashkandi, Nada Y.; Baines, Kim M.","(<i>tert</i>-Butyl isocyanide-κ<i>C</i>)trichloridogallium(III)","IUCrData","2016","1","3","x160389","","10.1107/S2414314616003898","","","1.54178","CuKα","","0.0223","0.0211","","","0.0536","0.0545","","","","","","1.108","","","","has coordinates,has Fobs","178211","2020-10-21","18:00:00",""
"1542885","31.27","0.002","5.672","0.0004","7.8812","0.0005","90","","99.271","0.003","90","","1379.58","0.16","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-Benzyloxy-1,1'-biphenyl","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Adam, Farook; Ameram, Nadiah; Kamath, Shevgoor Dhiraj; Pallavi; Samshuddin, Seranthimata","4-Benzyloxy-1,1'-biphenyl","IUCrData","2016","1","3","x160398","","10.1107/S2414314616003989","","","0.71073","MoKα","","0.0389","0.0339","","","0.0965","0.104","","","","","","0.867","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542886","11.39","0.002","10.9935","0.0018","12.5613","0.0019","90","","113.79","0.009","90","","1439.2","0.4","200","2","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylcyclohexyl <i>p</i>-toluenesulfonate","4-Methylcyclohexyl 4-methylbenzenesulfonate","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C56 H80 O12 S4 -","4","1","VM4007","Paquin, Cyrenus T.; Boerth, Donald W.; Golen, James A.; Manke, David R.","4-Methylcyclohexyl <i>p</i>-toluenesulfonate","IUCrData","2016","1","3","x160390","","10.1107/S2414314616003904","","","1.54178","CuKα","","0.0733","0.0494","","","0.1333","0.1505","","","","","","1.092","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542887","14.6122","0.0015","8.3882","0.0009","20.911","0.002","90","","90","","90","","2563.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-5-methylindoline-2,3-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","","Sharmila, N.; Sundar, T. V.; Satish, G.; Venkatesan, P.","1-Benzyl-5-methylindoline-2,3-dione","IUCrData","2016","1","3","x160381","","10.1107/S2414314616003813","","","0.71073","MoKα","","0.1172","0.0566","","","0.1275","0.1638","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542899","8.1828","0.0002","12.1541","0.0003","12.3654","0.0003","114.474","0.001","93.681","0.001","96.949","0.001","1102.14","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2-{[5-(4-Chlorophenoxymethyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}-<i>N</i>-(4-nitrophenyl)acetamide","","- C23 H18 Cl N5 O4 S -","- C23 H18 Cl N5 O4 S -","- C46 H36 Cl2 N10 O8 S2 -","2","1","IS4005","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Bakhite, Etify A.; Albayati, Mustafa R.","2-{[5-(4-Chlorophenoxymethyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}-<i>N</i>-(4-nitrophenyl)acetamide","IUCrData","2016","1","3","x160452","","10.1107/S2414314616004521","","","1.54178","CuKα","","0.0377","0.0343","","","0.0862","0.0889","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542900","9.8022","0.0006","14.9047","0.0009","12.643","0.0007","90","","90","","90","","1847.13","0.19","173","2","173.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","2-(naphthalen-1-yl)ethanol","2-(Naphthalen-1-yl)ethanol","","- C12 H12 O -","- C12 H12 O -","- C96 H96 O8 -","8","2","HB4026","Garozzo, Lee Ann; Nazarenko, Alexander Y.","2-(Naphthalen-1-yl)ethanol","IUCrData","2016","1","3","x160423","","10.1107/S2414314616004235","","","1.54178","CuKα","","0.0286","0.0282","","","0.0732","0.0735","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542901","11.7678","0.0007","13.0072","0.0007","9.9025","0.0006","90","","112.371","0.002","90","","1401.66","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(4-methylbenzylidene)benzohydrazide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","SU4020","Maheswari, R.; Manjula, J.; Gunasekaran, B.","(<i>E</i>)-4-Methoxy-<i>N</i>'-(4-methylbenzylidene)benzohydrazide","IUCrData","2016","1","3","x160431","","10.1107/S2414314616004314","","","0.71073","MoKα","","0.0546","0.0421","","","0.1231","0.1362","","","","","","0.998","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542902","16.1115","0.0019","7.704","0.0009","23.873","0.003","90","","90","","90","","2963.2","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","1","SU4021","Queiroz, Jaqueline Evangelista; Vila Verde, Giuliana Muniz; Pereira, Mariette Miguens; Ramos Silva, Manuela; Aquino, Gilberto L. B.","4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one","IUCrData","2016","1","3","x160430","","10.1107/S2414314616004302","","","0.71073","MoKα","","0.0984","0.0501","","","0.1257","0.1547","","","","","","0.974","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542903","17.377","0.001","18.889","0.008","19.705","0.006","94.766","0.002","90.035","0.003","104.681","0.002","6233","3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc(II) <i>mer</i>-aquatris(dimethyl sulfoxide-κ<i>O</i>)(ethanol-κ<i>O</i>)[octadecatungstodiphosphato(V)-κ<i>O</i>]zincate(II)‒dimethyl sulfoxide‒ethanol‒water (2/4/2/3)","","- C38 H119 O83.5 P2 S17 W18 Zn3 -","- C38 H119 O83.5 P2 S17 W18 Zn3 -","- C76 H238 O167 P4 S34 W36 Zn6 -","2","1","XU4002","Hammami, Imen; Ghandour, Yassine; Belkhiria, Mohamed Salah","Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc <i>mer</i>-aquatris(dimethyl sulfoxide-κ<i>O</i>)(ethanol-κ<i>O</i>)[octadecatungstodiphosphato(V)-κ<i>O</i>]zincate(II)‒dimethyl sulfoxide‒ethanol‒water (2/4/2/3)","IUCrData","2016","1","3","x160406","","10.1107/S2414314616004065","","","0.71073","MoKα","","0.0798","0.0506","","","0.119","0.1311","","","","","","0.976","","","","has coordinates,has disorder,has Fobs","178352","2020-10-21","18:00:00",""
"1542931","13.1432","0.0011","13.613","0.0012","8.3381","0.0007","90","","98.495","0.004","90","","1475.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methoxy-4-[3-(3-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]phenol","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","SU4019","Inturi, Bharathkumar; Roopashree, K. R.; Pujar, Gurubasavaraj V.; Mohammed, Irfan Ali; Devarajegowda, H. C.","2-Methoxy-4-[3-(3-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]phenol","IUCrData","2016","1","3","x160466","","10.1107/S2414314616004661","","","1.54178","CuKα","","0.0456","0.0391","","","0.1059","0.1125","","","","","","0.998","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542932","17.7676","0.0016","13.138","0.0013","11.4852","0.0011","90","","108.261","0.002","90","","2546","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]amine","","- C28 H43 N -","- C28 H43 N -","- C112 H172 N4 -","4","1","HB4027","Wang, Limin; Wang, Shengpei; Liu, Shenggao","Bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]amine","IUCrData","2016","1","3","x160424","","10.1107/S2414314616004247","","","0.71073","MoKα","","0.1157","0.0801","","","0.2345","0.2683","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1542933","14.1643","0.0007","16.7047","0.0008","24.9505","0.0012","90","","91.601","0.002","90","","5901.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]","","- C39 H72 Bi2 I9 N9 -","- C39 H72 Bi2 I9 N9 -","- C156 H288 Bi8 I36 N36 -","4","0.5","ZL4007","Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi","Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]","IUCrData","2016","1","3","x160427","","10.1107/S2414314616004272","","","0.71073","MoKα","","0.0224","0.018","","","0.033","0.0339","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","179695","2020-10-21","18:00:00",""
"1542934","15.2211","0.0018","12.2037","0.0015","14.4716","0.0018","90","","98.788","0.005","90","","2656.6","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dimethyl cyanocarbonimidodithioate","Dimethyl <i>N</i>-cyanodithioiminocarbonate","","- C4 H6 N2 S2 -","- C4 H6 N2 S2 -","- C64 H96 N32 S32 -","16","4","","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Dimethyl <i>N</i>-cyanodithioiminocarbonate","IUCrData","2016","1","3","x160454","","10.1107/S2414314616004545","","","0.71073","MoKα","","0.1031","0.0478","","","0.0891","0.1063","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1542935","20.9334","0.0017","10.2009","0.0008","9.0493","0.0007","90","","90","","90","","1932.4","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone","","- C22 H20 Cl2 N2 O -","- C22 H20 Cl2 N2 O -","- C88 H80 Cl8 N8 O4 -","4","1","HB4029","Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Akhilesh Bairy, Kurady; Shivashankarappa Sunil, Madhugiri","1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone","IUCrData","2016","1","3","x160474","","10.1107/S2414314616004740","","","0.71073","MoKα","","0.0597","0.0409","","","0.0862","0.0939","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542936","4.0105","0.0001","21.0705","0.0007","10.7451","0.0004","90","","96.323","0.002","90","","902.47","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Nitro-1-(prop-2-yn-1-yl)-1<i>H</i>-indazole","","- C10 H7 N3 O2 -","- C10 H7 N3 O2 -","- C40 H28 N12 O8 -","4","1","ZQ4005","Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","5-Nitro-1-(prop-2-yn-1-yl)-1<i>H</i>-indazole","IUCrData","2016","1","3","x160480","","10.1107/S2414314616004806","","","1.54178","CuKα","","0.0493","0.044","","","0.1198","0.1237","","","","","","1.041","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542937","7.7705","0.0005","9.8189","0.0006","21.5478","0.0014","90","","90","","90","","1644.05","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexamethylguanidinium 1,1,3,3-tetracyanoprop-2-en-1-ide","","- C14 H19 N7 -","- C14 H19 N7 -","- C56 H76 N28 -","4","1","SJ4016","Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium 1,1,3,3-tetracyanoprop-2-en-1-ide","IUCrData","2016","1","3","x160478","","10.1107/S2414314616004788","","","0.71073","MoKα","","0.0555","0.0364","","","0.0699","0.0761","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","179699","2020-10-21","18:00:00",""
"1542975","7.4551","0.0008","11.9212","0.0013","15.1931","0.0016","90.605","0.006","99.245","0.005","105.408","0.006","1282.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(5-anilino-1,3,4-thiadiazol-2-yl)pyridinium] sulfate","","- C26 H22 N8 O4 S3 -","- C26 H22 N8 O4 S3 -","- C52 H44 N16 O8 S6 -","2","1","SJ4013","Bharti, Akhilesh; Nath, Paras; Bharati, Pooja; Gupta, Sushil K.; Bharty, Manoj K.","Bis[4-(5-anilino-1,3,4-thiadiazol-2-yl)pyridinium] sulfate","IUCrData","2016","1","3","x160446","","10.1107/S2414314616004466","","","0.71073","MoKα","","0.0356","0.0301","","","0.0711","0.0742","","","","","","1.073","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542976","14.0236","0.0003","6.9976","0.0001","25.3551","0.0005","90","","105.245","0.001","90","","2400.58","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzyl-5-nitro-1<i>H</i>-indazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","2","SJ4014","Boulhaoua, Mohammed; Abdelahi, Mohammed Mokhtar; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-5-nitro-1<i>H</i>-indazole","IUCrData","2016","1","3","x160485","","10.1107/S2414314616004855","","","1.54178","CuKα","","0.0469","0.0365","","","0.0877","0.0942","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542977","9.4106","0.0012","14.936","0.002","24.175","0.004","90","","90.29","0.002","90","","3397.9","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(4,4'-Dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) hexafluoridophosphate","","- C34 H28 F6 Ir N4 O2 P -","- C34 H28 F6 Ir N4 O2 P -","- C136 H112 F24 Ir4 N16 O8 P4 -","4","1","TK4009","Natsumi, Yano; Yusuke, Kataoka; Tatsuya, Kawamoto; Makoto, Handa","(4,4'-Dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) hexafluoridophosphate unknown solvate","IUCrData","2016","1","3","x160487","","10.1107/S2414314616004879","","","0.71075","MoKα","","0.036","0.0321","","","0.0803","0.0828","","","","","","1.08","","","","has coordinates,has Fobs","180629","2020-10-21","18:00:00",""
"1542978","5.8594","0.0003","18.8756","0.0008","16.0649","0.0009","90","","108.13","0.004","90","","1688.56","0.15","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","FF4003","Atalay, Şehriman; Gerçeker, Semra; Eserci, Hande; Ağar, Erbil","<i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide","IUCrData","2016","1","3","x160464","","10.1107/S2414314616004648","","","0.71073","MoKα","","0.111","0.0588","","","0.1225","0.1417","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1542979","11.5579","0.0005","9.9279","0.0004","12.5271","0.0005","90","","95.03","0.002","90","","1431.89","0.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Menthone-4-methylthiosemicarbazone","2-[(<i>E</i>)-(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexylidene]-<i>N</i>-methylhydrazine-1-carbothioamide","","- C12 H23 N3 S -","- C12 H23 N3 S -","- C48 H92 N12 S4 -","4","2","BX4002","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; de Farias, Renan Lira","2-[(<i>E</i>)-(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexylidene]-<i>N</i>-methylhydrazine-1-carbothioamide","IUCrData","2016","1","3","x160459","","10.1107/S2414314616004594","","","0.71073","MoKα","","0.0649","0.0444","","","0.096","0.104","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542980","11.2326","0.0004","8.025","0.0003","16.3653","0.0007","90","","91.95","0.003","90","","1474.34","0.1","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium 4,4'-bipyridinidyl","","- C28 H44 N4 O6 Rb -","- C28 H44 N4 O6 Rb -","- C56 H88 N8 O12 Rb2 -","2","0.5","WM4010","Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F.","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium 4,4'-bipyridinidyl","IUCrData","2016","1","3","x160505","","10.1107/S2414314616005058","","","0.71073","MoKα","","0.0384","0.0293","","","0.0622","0.0651","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542981","19.155","0.003","10.5762","0.0014","19.495","0.003","90","","92.382","0.003","90","","3946","1","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7,10,13-Tetra-<i>tert</i>-butyl-<i>N</i>-phenylacenaphtho[1,2-<i>j</i>]fluoranthene-4,5-dicarboximide","","- C50 H49 N O2 -","- C50 H49 N O2 -","- C200 H196 N4 O8 -","4","1","HB4031","Ozoe, Hiroaki; Kitamura, Chitoshi; Nishida, Jun-ichi; Kawase, Takeshi","2,7,10,13-Tetra-<i>tert</i>-butyl-<i>N</i>-phenylacenaphtho[1,2-<i>j</i>]fluoranthene-4,5-dicarboximide","IUCrData","2016","1","3","x160473","","10.1107/S2414314616004739","","","0.71073","MoKα","","0.1644","0.0766","","","0.1814","0.2433","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1542982","9.7001","0.0014","12.1805","0.0014","13.866","0.0017","75.99","0.005","89.069","0.006","87.074","0.006","1587.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Benzoylphenyl)pyridine-2-carbothioamide","","- C19 H14 N2 O S -","- C19 H14 N2 O S -","- C76 H56 N8 O4 S4 -","4","2","HB4032","Hanif, Muhammad; Hartinger, Christian G.; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz","<i>N</i>-(4-Benzoylphenyl)pyridine-2-carbothioamide","IUCrData","2016","1","3","x160471","","10.1107/S2414314616004715","","","0.71073","MoKα","","0.1242","0.0603","","","0.1626","0.2","","","","","","1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542983","15.794","0.0012","11.1864","0.0008","24.8212","0.0018","90","","95.128","0.001","90","","4367.8","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-({5-[(4-Chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)-<i>N</i>-phenylacetamide","","- C23 H19 Cl N4 O2 S -","- C23 H19 Cl N4 O2 S -","- C184 H152 Cl8 N32 O16 S8 -","8","1","RZ4002","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","2-({5-[(4-Chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)-<i>N</i>-phenylacetamide","IUCrData","2016","1","3","x160453","","10.1107/S2414314616004533","","","0.71073","MoKα","","0.0605","0.0431","","","0.1093","0.1177","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1542984","10.2254","0.0003","26.6695","0.0009","9.921","0.0003","90","","110.718","0.001","90","","2530.56","0.14","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Ethyl 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5,6-diphenylpyridazine-4-carboxylate","","- C28 H25 N3 O3 S -","- C28 H25 N3 O3 S -","- C112 H100 N12 O12 S4 -","4","1","XU4003","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","Ethyl 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5,6-diphenylpyridazine-4-carboxylate","IUCrData","2016","1","3","x160479","","10.1107/S241431461600479X","","","1.54178","CuKα","","0.0286","0.0278","","","0.0704","0.071","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543037","7.6398","0.0003","10.8372","0.0011","25.982","0.004","90","","92.478","0.005","90","","2149.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Diammine[3-(3-chloro-7-methoxy-9,10-dihydroacridin-9-ylideneamino)propan-1-amine-κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate","","- C17 H24 Cl N7 O7 Pt -","- C17 H24 Cl N7 O7 Pt -","- C68 H96 Cl4 N28 O28 Pt4 -","4","1","XU4005","Cheun, Young; Lee, Seongmin","<i>cis</i>-Diammine[3-(3-chloro-7-methoxy-9,10-dihydroacridin-9-ylideneamino)propan-1-amine-κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate","IUCrData","2016","1","4","x160481","","10.1107/S2414314616004818","","","1.54184","CuKα","","0.0822","0.059","","","0.1388","0.1547","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543038","14.824","0.003","8.2946","0.0017","16.924","0.003","90","","90","","90","","2081","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one","","- C27 H19 Cl N2 O -","- C27 H19 Cl N2 O -","- C108 H76 Cl4 N8 O4 -","4","1","BH4004","Raja, Rajamani; Kandhasamy, Subramani; Narayanan, Uma Maheswari; Perumal, Paramasivam T.; Dhanapal, Ramu","1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one","IUCrData","2016","1","4","x160529","","10.1107/S2414314616005290","","","0.71073","MoKα","","0.0517","0.0344","","","0.0819","0.0934","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543039","15.1498","0.0003","7.4949","0.0002","16.4795","0.0003","90","","90","","90","","1871.19","0.07","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione)","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","0.5","BT4003","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione)","IUCrData","2016","1","4","x160542","","10.1107/S2414314616005423","","","0.71073","MoKα","","0.0772","0.0534","","","0.1502","0.1708","","","","","","1.03","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543040","9.8513","0.0002","15.0619","0.0002","28.931","0.0004","90","","90","","90","","4292.76","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile","","- C24 H20 N4 O2 S -","- C24 H20 N4 O2 S -","- C192 H160 N32 O16 S8 -","8","1","SJ4017","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Albayati, Mustafa R.","5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile","IUCrData","2016","1","4","x160492","","10.1107/S2414314616004922","","","1.54178","CuKα","","0.0393","0.0339","","","0.0869","0.0909","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543041","5.9498","0.0002","8.0999","0.0002","16.3919","0.0004","85.99","0.001","81.41","0.001","82.294","0.001","773.05","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate","","- C16 H13 Cl N2 O2 S -","- C16 H13 Cl N2 O2 S -","- C32 H26 Cl2 N4 O4 S2 -","2","1","SU4024","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate","IUCrData","2016","1","4","x160531","","10.1107/S2414314616005319","","","1.54178","CuKα","","0.0408","0.0373","","","0.1018","0.1052","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543042","4.54371","0.00018","11.6697","0.0006","15.5677","0.0008","90.8429","0.0014","98.1733","0.0018","100.344","0.0011","803.11","0.07","173","","173","","","","","","","","","6","P -1","-P 1","2","","Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","","- C30 H42 N4 O2 Pd S4 -","- C30 H42 N4 O2 Pd S4 -","- C30 H42 N4 O2 Pd S4 -","1","0.5","","Zangrando, E.; Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R.","Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","IUCrData","2016","1","4","x160521","","10.1107/S2414314616005216","","","0.71075","MoKα","","","0.0214","","","","0.0567","","","","","","1.15","","","","has coordinates,has Fobs","181835","2020-10-21","18:00:00",""
"1543043","9.41","0.005","9.667","0.005","25.285","0.005","90","","90","","90","","2300.1","1.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-yl 4-methylbenzene-1-sulfonate","","- C23 H32 Cl2 O3 S -","- C23 H32 Cl2 O3 S -","- C92 H128 Cl8 O12 S4 -","4","1","HB4024","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-yl 4-methylbenzene-1-sulfonate","IUCrData","2016","1","4","x160422","","10.1107/S2414314616004223","","","0.71073","MoKα","","0.0369","0.03","","","0.0665","0.0687","","","","","","0.966","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543051","11.58792","0.00019","12.2101","0.0002","5.25364","0.0001","90","","90.5649","0.0007","90","","743.3","0.02","293","2","293","2","","","","","","","","3","P 21/n","-P 2yn","14","cis-inositol","cis-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.351","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543052","14.1313","0.0002","11.0757","0.0002","9.36191","0.00018","90","","90","","90","","1465.27","0.05","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cis-inositol","cis-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","1","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.299","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543053","14.01476","0.00014","11.03782","0.00011","9.33193","0.00012","90","","90","","90","","1443.58","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cis-inositol","cis-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","2","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.21","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543054","11.8577","0.0003","7.01486","0.00016","8.68032","0.00019","90","","90","","90","","722.03","0.03","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","myo-inositol","cis-1,2,3,5-trans-4,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.174","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543055","6.86637","0.00011","9.12272","0.00014","6.21914","0.000098","90","","106.596","0.00059","90","","373.338","0.01","293","2","293","2","","","","","","","","3","P 21","P 2yb","4","D-(+)-chiro-inositol","cis-1,2,4-trans-3,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C12 H24 O12 -","2","","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.377","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543056","10.1435","0.0006","8.1542","0.0004","8.6239","0.0004","90","","92.3556","0.0015","90","","712.7","0.07","293","2","293","2","","","","","","","","3","P 21/c","-P 2ybc","14","rac-chiro-inositol","rac-chiro-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","2.417","2.917","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543062","14.527","0.004","10.721","0.003","36.004","0.01","90","","97.459","0.003","90","","5560","3","223.15","","223.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^9^,<i>N</i>^10^-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine","","- C64 H74 N4 -","- C64 H74 N4 -","- C256 H296 N16 -","4","1","","Williams, Owen M.; Cowley, Alan H.","(4<i>Z</i>,5<i>E</i>,9<i>E</i>,10<i>Z</i>)-<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^9^,<i>N</i>^10^-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine","IUCrData","2016","1","4","x160484","","10.1107/S2414314616004843","","","0.71075","MoKα","","0.0867","0.0637","","","0.1556","0.1745","","","","","","1.063","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543063","4.5205","0.0001","13.4538","0.0003","21.0436","0.0005","90","","90","","90","","1279.83","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-5-bromoindoline-2,3-dione","","- C15 H10 Br N O2 -","- C15 H10 Br N O2 -","- C60 H40 Br4 N4 O8 -","4","1","BT4004","Kharbach, Yassine; Kandri Rodi, Youssef; Renard, Catherine; Essassi, El Mokhtar; El Ammari, Lahcen","1-Benzyl-5-bromoindoline-2,3-dione","IUCrData","2016","1","4","x160559","","10.1107/S2414314616005599","","","0.71073","MoKα","","0.0321","0.0256","","","0.0563","0.0577","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543064","15.984","0.0019","4.8453","0.0003","23.071","0.003","90","","93.835","0.009","90","","1782.8","0.3","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol","","- C26 H16 N2 O -","- C26 H16 N2 O -","- C104 H64 N8 O4 -","4","1","","Mukherjee, Soma; Talukder, Shrabani; Stoeckli-Evans, Helen","(<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol","IUCrData","2016","1","4","x160543","","10.1107/S2414314616005435","","","0.71073","MoKα","","0.0842","0.04","","","0.0818","0.0934","","","","","","0.879","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543065","9.4796","0.0015","7.155","0.0012","13.651","0.002","90","","90.968","0.004","90","","925.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>R</i>,2<i>R</i>)-8-Bromo-1-[(<i>E</i>)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-<i>b</i>]furan","","- C20 H13 Br2 N O3 -","- C20 H13 Br2 N O3 -","- C40 H26 Br4 N2 O6 -","2","1","PK4003","Fang, Xiaoqin; Wang, Yifeng","(1<i>R</i>,2<i>R</i>)-8-Bromo-1-[(<i>E</i>)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-<i>b</i>]furan","IUCrData","2016","1","4","x160515","","10.1107/S2414314616005150","","","0.71073","MoKα","","0.0518","0.0411","","","0.0885","0.0934","","","","","","0.972","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543066","9.9172","0.0005","10.001","0.0005","10.4124","0.0005","86.863","0.004","84.173","0.004","66.037","0.004","938.73","0.09","173","2","173","2","","","","","","","","5","P 1","P 1","1","","<i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide","","- C18 H26 Cl2 N2 O -","- C18 H26 Cl2 N2 O -","- C36 H52 Cl4 N4 O2 -","2","2","SU4028","Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; Daran, Jean-Claude; Berraho, Moha","<i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide","IUCrData","2016","1","4","x160554","","10.1107/S241431461600554X","","","0.71073","MoKα","","0.0554","0.0534","","","0.1432","0.1456","","","","","","1.063","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543082","5.4311","0.0005","13.6861","0.0015","27.34","0.004","90","","90","","90","","2032.2","0.4","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<i>L</i>-valine-κ<i>O</i>)lead(II) nitrate","","- C10 H26 N4 O12 Pb -","- C10 H26 N4 O12 Pb -","- C40 H104 N16 O48 Pb4 -","4","1","PJ4001","Bernès, Sylvain; Gasque, Laura","Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<small>L</small>-valine-κ<i>O</i>)lead(II) nitrate at 296K","IUCrData","2016","1","4","x160539","","10.1107/S2414314616005393","","","0.71073","MoKα","","0.0617","0.0437","","","0.1042","0.116","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","182043","2020-10-21","18:00:00",""
"1543083","15.8392","0.0013","12.9075","0.001","10.3997","0.0008","90","","103.354","0.008","90","","2068.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","","- C24 H21 N3 O S -","- C24 H21 N3 O S -","- C96 H84 N12 O4 S4 -","4","1","","Kamni; Singh, Vikram D.; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni","(4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","IUCrData","2016","1","4","x160587","","10.1107/S2414314616005873","","","0.71073","MoKα","","0.1203","0.0743","","","0.2092","0.2469","","","","","","1.047","","","","has coordinates,has Fobs","182044","2020-10-21","18:00:00",""
"1543084","9.8263","0.0004","7.4617","0.0002","11.9888","0.0004","90","","91.956","0.001","90","","878.52","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Ferrocenylmethyl-2,2-dimethyl-5-(prop-2-ynyl)-1,3-dioxane-4,6-dione","","- C20 H20 Fe O4 -","- C20 H20 Fe O4 -","- C40 H40 Fe2 O8 -","2","1","WM4012","Naier, Benjamin; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","5-Ferrocenylmethyl-2,2-dimethyl-5-(prop-2-ynyl)-1,3-dioxane-4,6-dione","IUCrData","2016","1","4","x160569","","10.1107/S2414314616005691","","","0.71073","MoKα","","0.0235","0.0212","","","0.0511","0.0521","","","","","","1.046","","","","has coordinates,has Fobs","182045","2020-10-21","18:00:00",""
"1543085","7.957","0.005","10.796","0.005","13.673","0.005","90","","90","","90","","1174.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3a<i>R</i>,6<i>R</i>)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazole-2-carbothioamide","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C44 H76 N12 S4 -","4","1","SU4023","N'Ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Chevreux, Sylviane; Berraho, Moha","(3a<i>R</i>,6<i>R</i>)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazole-2-carbothioamide","IUCrData","2016","1","4","x160573","","10.1107/S2414314616005733","","","1.5418","CuKα","","0.0213","0.0209","","","0.0537","0.0541","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543086","20.6796","0.0018","5.4004","0.0004","17.2537","0.0016","90","","104.299","0.009","90","","1867.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","","- C22 H17 N3 O2 S -","- C22 H17 N3 O2 S -","- C88 H68 N12 O8 S4 -","4","1","","Singh, Vikram D.; Kamni; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni","(4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","IUCrData","2016","1","4","x160566","","10.1107/S2414314616005666","","","0.71073","MoKα","","0.0941","0.0496","","","0.1051","0.1356","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543087","6.7563","0.0001","11.2307","0.0002","11.7323","0.0003","90","","90","","90","","890.22","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-5-nitro-1<i>H</i>-indazole","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C36 H36 N12 O8 -","4","1","TK4008","Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-Ethyl-5-nitro-1<i>H</i>-indazole","IUCrData","2016","1","4","x160567","","10.1107/S2414314616005678","","","1.54178","CuKα","","0.0331","0.0318","","","0.0822","0.0834","","","","","","1.139","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543088","4.2047","0.0006","34.146","0.004","13.347","0.003","90","","97.67","0.01","90","","1899.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dihydroxy phenyl tetradecyl ketone","1-(2,6-Dihydroxyphenyl)tetradecan-1-one","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","SU4030","Bauri, A. K.; Foro, Sabine; Do, Nhu Quynh Nguyen","1-(2,6-Dihydroxyphenyl)tetradecan-1-one: isolated from the fruit rinds of <i>Myristica malabarica</i>","IUCrData","2016","1","4","x160577","","10.1107/S2414314616005770","","","0.71073","MoKα","","0.1364","0.0857","","","0.1395","0.1604","","","","","","1.299","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543089","12.4764","0.0006","7.8471","0.0003","16.7265","0.0008","90","","90.478","0.002","90","","1637.53","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-Hydroxybenzoyl)-2-(1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C84 H52 N12 O8 -","4","1","","Ezhilarasi, K. S.; Poomathi, Nataraj; Perumal, P. T.; Vasanthi, R.; Usha, G.","5-(2-Hydroxybenzoyl)-2-(1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile","IUCrData","2016","1","4","x160586","","10.1107/S2414314616005861","","","0.71073","MoKα","","0.0558","0.0405","","","0.1134","0.1208","","","","","","1.57","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543090","7.4998","0.0008","13.835","0.0014","12.2324","0.0012","90","","107.474","0.004","90","","1210.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(2-Hydroxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","","- C13 H10 N2 O5 -","- C13 H10 N2 O5 -","- C52 H40 N8 O20 -","4","1","FF4005","Vimala, G.; Poomathi, N.; Perumal, P. T.; SubbiahPandi, A.","5-(2-Hydroxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","IUCrData","2016","1","4","x160527","","10.1107/S2414314616005277","","","0.71073","MoKα","","0.1032","0.0557","","","0.1415","0.1757","","","","","","1.011","","","","has coordinates,has Fobs","182051","2020-10-21","18:00:00",""
"1543091","10.2688","0.0004","10.5322","0.0004","11.2934","0.0004","111.72","0.002","93.883","0.002","91.653","0.003","1130.18","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(naphthalen-2-yl)-1<i>H</i>-pyrrole-3-carbonitrile","","- C30 H19 N3 O -","- C30 H19 N3 O -","- C60 H38 N6 O2 -","2","1","SU4022","Vimala, G.; Raja, J. Kamal; Perumal, P. T.; SubbiahPandi, A.","5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(naphthalen-2-yl)-1<i>H</i>-pyrrole-3-carbonitrile","IUCrData","2016","1","4","x160526","","10.1107/S2414314616005265","","","0.71073","MoKα","","0.0588","0.0389","","","0.0952","0.1287","","","","","","0.742","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543125","13.217","0.01","9.831","0.007","13.627","0.009","90","","90","","90","","1771","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Hydroxy-4-(hydroxymethyl)-2-oxo-2<i>H</i>-chromene","","- C10 H8 O4 -","- C10 H8 O4 -","- C80 H64 O32 -","8","1","SJ4022","Bai, Jun-Hua; Dong, Jin-Long","7-Hydroxy-4-(hydroxymethyl)coumarin","IUCrData","2016","1","4","x160598","","10.1107/S2414314616005988","","","0.71073","MoKα","","0.0435","0.0333","","","0.0714","0.0781","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543126","8.755","0.005","9.533","0.005","10.897","0.005","91.324","0.005","90.517","0.005","103.216","0.005","885.1","0.8","150","","150","","","","","","","","","5","P -1","-P 1","2","Dibromonitrotoluene","1,3-Dibromo-2-methyl-5-nitrobenzene","","- C7 H5 Br2 N O2 -","- C7 H5 Br2 N O2 -","- C28 H20 Br8 N4 O8 -","4","2","","Medjroubi, Mohamed Larbi; Jeannin, Olivier; Fourmigué, Marc; Boudjada, Ali; Meinnel, Jean","Dibromonitrotoluene","IUCrData","2016","1","4","x160621","","10.1107/S2414314616006210","","","0.71069","MoKα","","0.0419","0.0294","","0.0602","0.0554","0.0528","","","","","","0.8477","","","","has coordinates,has Fobs","182159","2020-10-21","18:00:00",""
"1543127","10.5765","0.0002","11.8088","0.0002","39.1512","0.0007","90","","92.618","0.001","90","","4884.72","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-<i>N</i>-(4-methylpyrimidin-2-yl)benzenesulfonamide tetrahydrofuran monosolvate","","- C15 H20 N4 O3 S -","- C15 H20 N4 O3 S -","- C180 H240 N48 O36 S12 -","12","3","HB4037","Hossain, G. M. Golzar","Sulfamerazine tetrahydrofuran monosolvate","IUCrData","2016","1","4","x160596","","10.1107/S2414314616005964","","","0.71073","MoKα","","0.1262","0.0628","","","0.1413","0.1691","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543128","4.4793","0.0002","10.3596","0.0005","21.5724","0.0011","90","","90","","90","","1001.04","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C32 H44 N12 O16 -","4","1","ZP4004","Hakmaoui, Yassine; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","IUCrData","2016","1","4","x160588","","10.1107/S2414314616005885","","","0.71073","MoKα","","0.0434","0.0372","","","0.0961","0.1002","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543129","7.6842","0.0007","8.1013","0.0006","22.0669","0.0016","90","","90.893","0.003","90","","1373.54","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminobenzoic acid–quinoline (1/1)","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","HB4033","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","4-Aminobenzoic acid–quinoline (1/1)","IUCrData","2016","1","4","x160604","","10.1107/S2414314616006040","","","0.71073","MoKα","","0.0779","0.0443","","","0.0979","0.1166","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543130","4.4666","0.0002","12.9169","0.0006","16.3857","0.0008","90","","90","","90","","945.37","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Propyl-1<i>H</i>-indole-2,3-dione","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","SJ4024","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-Propyl-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160609","","10.1107/S241431461600609X","","","0.71073","MoKα","","0.0442","0.0379","","","0.0856","0.0891","","","","","","1.255","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543131","10.1721","0.0003","11.2475","0.0003","12.0154","0.0004","79.638","0.002","82.454","0.002","82.371","0.002","1332.14","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-nitrophenyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","","- C28 H21 Br N4 O4 S -","- C28 H21 Br N4 O4 S -","- C56 H42 Br2 N8 O8 S2 -","2","1","HG4002","AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A.","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-nitrophenyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","IUCrData","2016","1","4","x160597","","10.1107/S2414314616005976","","","0.71073","MoKα","","0.089","0.0594","","","0.1534","0.1861","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543132","7.7113","0.0002","8.1375","0.0002","17.8089","0.0004","90","","93.83","0.0013","90","","1115.03","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Bromopropyl)indoline-2,3-dione","","- C11 H10 Br N O2 -","- C11 H10 Br N O2 -","- C44 H40 Br4 N4 O8 -","4","1","HB4036","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-(3-Bromopropyl)indoline-2,3-dione","IUCrData","2016","1","4","x160593","","10.1107/S2414314616005939","","","0.71073","MoKα","","0.0801","0.0547","","","0.1417","0.1575","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543133","15.579","0.003","16.799","0.004","17.332","0.004","72.622","0.002","73.116","0.002","84.324","0.002","4142","1.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-\ terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent","","- C50 H36 N2 -","- C50 H36 N2 -","- C200 H144 N8 -","4","2","","Zhu, Liqiong; Zhao, Yan","(1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent","IUCrData","2016","1","4","x160594","","10.1107/S2414314616005940","","","0.71073","MoKα","","0.1653","0.065","","","0.1296","0.144","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543143","10.0293","0.0009","18.123","0.0017","10.7973","0.001","90","","97.475","0.006","90","","1945.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane","","- C19 H29 B O3 -","- C19 H29 B O3 -","- C76 H116 B4 O12 -","4","1","XU4004","Li, Kai-Xiao; Wang, Xiao-Juan","4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane","IUCrData","2016","1","4","x160611","","10.1107/S2414314616006118","","","0.71073","MoKα","","0.0882","0.0517","","","0.1473","0.1681","","","","","","1.094","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543144","5.0643","0.0003","12.8006","0.0007","20.554","0.0011","90","","91.076","0.002","90","","1332.2","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-<i>N</i>-(4-bromophenyl)benzenesulfonamide","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C48 H36 Br8 N4 O8 S4 -","4","1","ZQ4006","Rodrigues, Vinola Z.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","4-Bromo-<i>N</i>-(4-bromophenyl)benzenesulfonamide","IUCrData","2016","1","4","x160631","","10.1107/S2414314616006313","","","1.54178","CuKα","","0.0619","0.0613","","","0.1797","0.1811","","","","","","1.156","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543145","7.7265","0.0002","13.4792","0.0004","14.5827","0.0003","90","","96.073","0.001","90","","1510.22","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2,3,3-Tetramethyl-7-nitro-3,4-dihydroisoquinolinium tetrafluoroborate","","- C13 H17 B F4 N2 O2 -","- C13 H17 B F4 N2 O2 -","- C52 H68 B4 F16 N8 O8 -","4","1","BG4001","Bouzid, Mouna; Hrizi, Chakib; Kammoun, Majed","1,2,3,3-Tetramethyl-7-nitro-3,4-dihydroisoquinolinium tetrafluoroborate","IUCrData","2016","1","4","x160619","","10.1107/S2414314616006192","","","0.71073","MoKα","","0.0938","0.068","","","0.2189","0.244","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543146","11.64797","0.00017","12.20869","0.00017","25.7274","0.0004","90","","90","","90","","3658.6","0.09","294","1","294","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-3β,16β-Diacetoxy-23-acetyl-22,26-epoxycholesta-5,22-diene <i>n</i>-hexane 0.8-solvate","","- C37.8 H59.2 O6 -","- C37.8 H59.2 O6 -","- C151.2 H236.8 O24 -","4","1","ZP4003","Hernández Linares, María-Guadalupe; Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Bernès, Sylvain; Aguirre Hernández, Gerardo","(25<i>R</i>)-3β,16β-Diacetoxy-23-acetyl-22,26-epoxycholesta-5,22-diene <i>n</i>-hexane 0.8-solvate","IUCrData","2016","1","4","x160622","","10.1107/S2414314616006222","","","1.54184","CuKα","","0.0469","0.0397","","","0.1","0.1061","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","182211","2020-10-21","18:00:00",""
"1543165","8.2585","0.0002","7.2677","0.0001","44.4667","0.0008","90","","90","","90","","2668.9","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","SU4035","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160633","","10.1107/S2414314616006337","","","0.71073","MoKα","","0.0843","0.0471","","","0.11","0.1268","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543166","9.7478","0.0003","25.2229","0.0008","8.6354","0.0002","90","","101.733","0.002","90","","2078.8","0.1","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(±)-3-<i>tert</i>-Butyl-4-(4-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>e</i>][1,4]thiazepin-7(4<i>H</i>,6<i>H</i>,8<i>H</i>)-one","","","- C22 H22 Cl N3 O S -","- C22 H22 Cl N3 O S -","- C88 H88 Cl4 N12 O4 S4 -","4","1","HG4005","Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Tenorio, Juan C.; Ellena, Javier","3-<i>tert</i>-Butyl-4-(4-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>e</i>][1,4]thiazepin-7(4<i>H</i>,6<i>H</i>,8<i>H</i>)-one","IUCrData","2016","1","4","x160608","","10.1107/S2414314616006088","","","0.71073","MoKα","","0.108","0.0483","","","0.1037","0.1146","","","","","","0.945","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543167","9.5461","0.0005","11.8724","0.0006","15.9962","0.0008","90","","90.104","0.002","90","","1812.93","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","2","SJ4025","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Mohamed, Alaa F.; Albayati, Mustafa R.","<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide: a redetermination","IUCrData","2016","1","4","x160662","","10.1107/S2414314616006623","","","1.54178","CuKα","","0.0506","0.0423","","","0.1027","0.1085","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543168","8.5765","0.0002","9.8469","0.0002","10.2677","0.0002","78.903","0.001","79.552","0.001","68.655","0.001","786.65","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate","","- C18 H12 O6 -","- C18 H12 O6 -","- C36 H24 O12 -","2","1","ZP4005","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate","IUCrData","2016","1","4","x160629","","10.1107/S2414314616006295","","","0.71073","MoKα","","0.032","0.0298","","","0.0809","0.0823","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543169","10.5993","0.0003","9.7641","0.0003","12.4435","0.0004","90","","109.065","0.001","90","","1217.17","0.06","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-4-carbonitrile","","- C12 H19 N3 -","- C12 H19 N3 -","- C48 H76 N12 -","4","1","","Zhao, Ningfeng; Akwataghibe, Kelechi; Pompilius, Arielle; Shelly, Everett","3,5-Di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-4-carbonitrile","IUCrData","2016","1","4","x160673","","10.1107/S2414314616006738","","","1.54178","CuKα","","0.0386","0.0366","","","0.0942","0.0958","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","182309","2020-10-21","18:00:00",""
"1543170","29.063","0.002","9.9393","0.0006","25.645","0.003","90","","121.609","0.003","90","","6309","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Di-μ-dimethylformamide-κ^4^<i>O</i>:<i>O</i>-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)sodium(I)] bis(μ-3,6-dichlorobenzene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)]","","- C50 H62 Cl8 Fe2 N2 Na2 O7 S8 -","- C50 H62 Cl8 Fe2 N2 Na2 O7 S8 -","- C200 H248 Cl32 Fe8 N8 Na8 O28 S32 -","4","0.5","BH4005","Barrio, Jesús; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Di-μ-dimethylformamide-κ^4^<i>O</i>:<i>O</i>-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)sodium(I)] bis(μ-3,6-dichlorobenzene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)]","IUCrData","2016","1","4","x160643","","10.1107/S241431461600643X","","","0.71073","MoKα","","0.1076","0.0622","","","0.1447","0.1691","","","","","","1.036","","","","has coordinates,has Fobs","182310","2020-10-21","18:00:00",""
"1543171","5.7634","0.0002","8.2218","0.0002","12.0915","0.0003","105.541","0.0014","102.539","0.0016","97.4291","0.0014","528.03","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-4-(4-Ethoxyphenyl)but-3-en-2-one","","- C12 H14 O2 -","- C12 H14 O2 -","- C24 H28 O4 -","2","1","","Kamalini, G. Joseline Sheeba; Sugaraj, Samuel R.; Reuben Jonathan, D.; Revathi, B. K.; Usha, G.","(<i>E</i>)-4-(4-Ethoxyphenyl)but-3-en-2-one","IUCrData","2016","1","4","x160610","","10.1107/S2414314616006106","","","0.71073","MoKα","","0.0461","0.0391","","","0.1129","0.121","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543172","8.8388","0.0003","17.7686","0.0006","16.9487","0.0006","90","","94.159","0.002","90","","2654.84","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-<i>b</i>]pyridine-5-carboxylate","","- C30 H24 Cl N3 O4 S -","- C30 H24 Cl N3 O4 S -","- C120 H96 Cl4 N12 O16 S4 -","4","1","SU4032","Bakhite, Etify A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Al-Taifi, Elham A.","Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-<i>b</i>]pyridine-5-carboxylate","IUCrData","2016","1","4","x160657","","10.1107/S241431461600657X","","","1.54178","CuKα","","0.0456","0.037","","","0.0884","0.0935","","","","","","1.022","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543173","8.9885","0.0013","15.43","0.002","11.4182","0.0016","90","","91.806","0.002","90","","1582.8","0.4","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[[bis(pyridin-2-yl-κ<i>N</i>)amine]zinc(II)]-μ~2~-(2<i>E</i>,4<i>E</i>)-hexa-2,4-dienedioato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^] monohydrate]","","- C16 H15 N3 O5 Zn -","- C16 H15 N3 O5 Zn -","- C64 H60 N12 O20 Zn4 -","4","1","LH4006","Lee, Do Nam; Kim, Youngmee","<i>catena</i>-Poly[[[[bis(pyridin-2-yl-κ<i>N</i>)amine]zinc(II)]-μ~2~-(2<i>E</i>,4<i>E</i>)-hexa-2,4-dienedioato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^] monohydrate]","IUCrData","2016","1","4","x160636","","10.1107/S2414314616006362","","","0.71073","MoKα","","0.043","0.0343","","","0.0819","0.0834","","","","","","0.909","","","","has coordinates,has Fobs","182313","2020-10-21","18:00:00",""
"1543174","10.733","0.0004","16.0616","0.0006","20.9885","0.0008","96.662","0.002","102.673","0.001","98.067","0.001","3454.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>'-Benzylidene-2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide hemihydrate","","- C48 H42 Cl2 N10 O5 S2 -","- C48 H42 Cl2 N10 O5 S2 -","- C144 H126 Cl6 N30 O15 S6 -","3","1.5","SJ4023","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","<i>N</i>'-Benzylidene-2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide hemihydrate","IUCrData","2016","1","4","x160627","","10.1107/S2414314616006271","","","1.54178","CuKα","","0.0523","0.0402","","","0.1059","0.1146","","","","","","1.018","","","","has coordinates,has Fobs","182314","2020-10-21","18:00:00",""
"1543175","5.985","0.0003","21.0709","0.001","11.5617","0.0005","90","","100.423","0.002","90","","1433.98","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","","- C16 H12 N4 O S -","- C16 H12 N4 O S -","- C64 H48 N16 O4 S4 -","4","1","SU4033","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","IUCrData","2016","1","4","x160626","","10.1107/S241431461600626X","","","1.54178","CuKα","","0.0407","0.0351","","","0.0856","0.0889","","","","","","1.03","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543176","16.5042","0.0004","9.6896","0.0003","18.1221","0.0005","90","","90","","90","","2898.07","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Essaghouani, Abdelhanine; Bouzian, Younos; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2016","1","4","x160661","","10.1107/S2414314616006611","","","0.71073","MoKα","","0.0659","0.0483","","","0.1308","0.1458","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543177","12.4817","0.0006","12.3107","0.0006","8.5737","0.0004","90","","94.276","0.001","90","","1313.75","0.11","100.1","0.1","100.1","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>-Benzylcinnamamide","<i>N</i>-Benzyl-3-phenylprop-2-enamide","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Bugenhagen, Bernhard; Al Jasem, Yosef; Thiemann, Thies","<i>N</i>-Benzylcinnamamide","IUCrData","2016","1","4","x160647","","10.1107/S2414314616006477","","","0.71073","MoKα","","0.04","0.0376","","","0.0958","0.0977","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543178","7.2562","0.0002","16.4818","0.0005","18.0306","0.0006","90","","95.149","0.002","90","","2147.67","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)(2-phenyl-1<i>H</i>-indol-3-yl)methyl]cyclohexan-1-one","","- C27 H24 Cl N O -","- C27 H24 Cl N O -","- C108 H96 Cl4 N4 O4 -","4","1","BT4005","Venkatachalam, M.; Srinivasan, N.; Krishnakumar, R. V.; Chitra, S.; Manisankar, P.","2-[(4-Chlorophenyl)(2-phenyl-1<i>H</i>-indol-3-yl)methyl]cyclohexan-1-one","IUCrData","2016","1","4","x160644","","10.1107/S2414314616006441","","","0.71073","MoKα","","0.0734","0.0453","","","0.1087","0.1241","","","","","","1.035","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543179","7.2363","0.0002","24.26","0.0007","12.9049","0.0004","90","","105.603","0.001","90","","2182","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Piperidinium 4-(4-chlorophenyl)-3-cyano-5-ethoxycarbonyl-6-methylpyridine-2-thiolate","Piperidin-1-ium [4-(4-chlorophenyl)-3-cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanide","","- C21 H24 Cl N3 O2 S -","- C21 H24 Cl N3 O2 S -","- C84 H96 Cl4 N12 O8 S4 -","4","1","XU4007","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Bakhite, Etify A.; Albayati, Mustafa R.","Piperidinium 4-(4-chlorophenyl)-3-cyano-5-ethoxycarbonyl-6-methylpyridine-2-thiolate","IUCrData","2016","1","4","x160651","","10.1107/S2414314616006519","","","1.54178","CuKα","","0.0396","0.0364","","","0.0948","0.0974","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543180","26.289","0.005","15.132","0.005","7.403","0.005","90","","95.179","0.005","90","","2933","2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium","","","- C16 H13 N3 O3 S -","- C16 H13 N3 O3 S -","- C128 H104 N24 O24 S8 -","8","2","XU4006","Benosmane, A.; Rouag, D. A.; Mili, A.; Merazig, H.; Benaouida, M. A.","(4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium","IUCrData","2016","1","4","x160658","","10.1107/S2414314616006581","","","0.71073","MoKα","","0.0878","0.0488","","","0.1068","0.1241","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543224","8.2745","0.0008","6.0367","0.0006","14.8609","0.0014","90","","104.746","0.005","90","","717.86","0.12","120","2","120.06","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-1<i>H</i>-indole-2,3-dione","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C32 H16 Cl4 N4 O8 -","4","2","SJ4026","Juma, Rashid M.; Golen, James A.; Manke, David R.","4-Chloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160689","","10.1107/S2414314616006891","","","1.54178","CuKα","","0.0423","0.0379","","","0.0923","0.0959","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543225","5.8932","0.0009","7.1714","0.0009","27.347","0.004","90","","90","","90","","1155.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>S</i>,5<i>S</i>,6<i>R</i>,<i>E</i>)-3,5-Dimethyl-6-vinylhept-2-ene-1,4,7-triol","","- C11 H20 O3 -","- C11 H20 O3 -","- C44 H80 O12 -","4","1","","von Kiedrowski, Valeska; Quentin, Florian; Golz, Christopher; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin","(4<i>S</i>,5<i>S</i>,6<i>R</i>,<i>E</i>)-3,5-Dimethyl-6-vinylhept-2-ene-1,4,7-triol","IUCrData","2016","1","4","x160697","","10.1107/S2414314616006970","","","1.54178","CuKα","","0.0309","0.0305","","","0.0792","0.0796","","","","","","1.095","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543226","7.5429","0.0004","21.4003","0.0016","9.7773","0.0006","90","","112.325","0.003","90","","1459.96","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido{(<i>E</i>)-1-[(2-methoxyphenyl)diazenyl]naphthalen-2-olato}palladium(II)","","- C17 H13 Cl N2 O2 Pd -","- C17 H13 Cl N2 O2 Pd -","- C68 H52 Cl4 N8 O8 Pd4 -","4","1","SU4039","Mili, Assia; Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bailly, Corinne","Chlorido{(<i>E</i>)-1-[(2-methoxyphenyl)diazenyl]naphthalen-2-olato}palladium(II)","IUCrData","2016","1","4","x160691","","10.1107/S241431461600691X","","","0.71073","MoKα","","0.1117","0.0535","","","0.1053","0.1271","","","","","","1.026","","","","has coordinates,has Fobs","182425","2020-10-21","18:00:00",""
"1543227","8.8711","0.0007","8.6175","0.0006","23.698","0.002","90","","99.672","0.004","90","","1785.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6-Dipropylphthalazino[2,3-<i>a</i>]cinnoline-8,13-dione","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","SU4026","Vimala, G.; Krishnan, S. Maya; Perumal, P. T.; SubbiahPandi, A.","5,6-Dipropylphthalazino[2,3-<i>a</i>]cinnoline-8,13-dione","IUCrData","2016","1","4","x160688","","10.1107/S241431461600688X","","","0.71073","MoKα","","0.0558","0.0433","","","0.1317","0.1479","","","","","","1.083","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543228","17.17","0.06","4.267","0.013","20.22","0.06","90","","108.45","0.04","90","","1405","8","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,6-Tribromo-9-ethyl-9<i>H</i>-carbazole","","- C14 H10 Br3 N -","- C14 H10 Br3 N -","- C56 H40 Br12 N4 -","4","1","","Bezuglyi, Mkola; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas","1,3,6-Tribromo-9-ethyl-9<i>H</i>-carbazole","IUCrData","2016","1","4","x160708","","10.1107/S2414314616007082","","","0.71075","MoKα","","","0.0843","","","","0.2493","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543229","6.4152","0.0012","7.5089","0.0012","8.9546","0.0015","110.162","0.007","96.12","0.008","91.997","0.008","401.43","0.12","200","2","200.15","","","","","","","","","5","P -1","-P 1","2","","6-Iodo-1<i>H</i>-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C16 H8 I2 N2 O4 -","2","1","","Golen, James A.; Manke, David R.","6-Iodo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160700","","10.1107/S2414314616007008","","","0.71073","MoKα","","0.0228","0.02","","","0.0428","0.0437","","","","","","1.129","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543230","5.7058","0.0001","10.6201","0.0002","18.8688","0.0004","90","","90","","90","","1143.38","0.04","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","","- C10 H9 F N4 O S -","- C10 H9 F N4 O S -","- C40 H36 F4 N16 O4 S4 -","4","1","IS4006","Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan","(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","IUCrData","2016","1","4","x160659","","10.1107/S2414314616006593","","","0.71073","MoKα","","0.0292","0.0266","","","0.0675","0.0692","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543231","10.8316","0.0014","8.7542","0.0011","17.959","0.002","90","","106.322","0.005","90","","1634.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,6-Diacetyl-2-isopropyl-4,7-dimethylnaphthalene","1-[6-Acetyl-4,7-dimethyl-2-(propan-2-yl)naphthalen-1-yl]ethanone","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","BT4006","Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","1,6-Diacetyl-2-isopropyl-4,7-dimethylnaphthalene","IUCrData","2016","1","4","x160703","","10.1107/S2414314616007033","","","0.71073","MoKα","","0.0593","0.0471","","","0.1262","0.1394","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543232","10.3848","0.0003","10.4306","0.0003","14.4513","0.0004","69.394","0.001","72.388","0.001","70.871","0.001","1352.92","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2-(4-Chlorophenyl)-15-hydroxy-4-methyl-4,18-diazaoctacyclo[14.11.1.1^6,10^.0^1,5^.0^5,15^.0^17,26^.0^19,24^.0^14,29^]nonacosa-6,8,10(29),11,13,17,19(24),20,22,25-decaen-27-one methanol hemisolvate","15-(4-Chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro- 7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one methanol hemisolvate","","- C34.5 H26.5 Cl N2 O2.5 -","- C34.5 H26.5 Cl N2 O2.5 -","- C69 H53 Cl2 N4 O5 -","2","1","SU4031","Joseph, J. M.; Viswanathan, Vijayan; Velmurugan, Devadasan","15-(4-Chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one methanol hemisolvate","IUCrData","2016","1","4","x160637","","10.1107/S2414314616006374","","","0.71073","MoKα","","0.0632","0.0519","","","0.1644","0.1781","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543233","5.6231","0.0006","4.993","0.0006","12.5145","0.0014","90","","91.916","0.007","90","","351.16","0.07","120","2","120.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","6-Chloro-1<i>H</i>-indole-2,3-dione","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C16 H8 Cl2 N2 O4 -","2","1","SU4040","Golen, James A.; Manke, David R.","6-Chloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160690","","10.1107/S2414314616006908","","","1.54178","CuKα","","0.0342","0.0305","","","0.0681","0.0701","","","","","","1.124","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543234","15.0422","0.0012","5.6323","0.0005","17.1019","0.0015","90","","102.48","0.002","90","","1414.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1<i>H</i>-pyrazole","","- C16 H13 Cl N2 S -","- C16 H13 Cl N2 S -","- C64 H52 Cl4 N8 S4 -","4","1","","Suresh, Ganesan; Muniraj, Sarangapani","3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1<i>H</i>-pyrazole","IUCrData","2016","1","4","x160679","","10.1107/S2414314616006799","","","0.71073","MoKα","","0.0834","0.0577","","","0.1152","0.13","","","","","","1.124","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543253","8.9612","0.0003","5.0796","0.0002","12.5535","0.0004","90","","102.438","0.001","90","","558.02","0.03","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Benzimidazolium <i>L</i>-aspartate","1<i>H</i>-benzo[<i>d</i>]imidazol-3-ium 2-azaniumylsuccinate","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C22 H26 N6 O8 -","2","1","SU4038","Amudha, M.; Kumar, P. Praveen; Chakkaravarthi, G.","Benzimidazolium <small>L</small>-aspartate","IUCrData","2016","1","5","x160677","","10.1107/S2414314616006775","","","0.71073","MoKα","","0.0299","0.0278","","","0.0709","0.0729","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543254","8.6253","0.0019","7.125","0.0016","26.289","0.006","90","","90","","90","","1615.6","0.6","120","2","120.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,6-Dichloro-1<i>H</i>-indole-2,3-dione","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C64 H24 Cl16 N8 O16 -","8","1","HB4042","Mastrolia, Ronald J.; Golen, James A.; Manke, David R.","4,6-Dichloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","5","x160695","","10.1107/S2414314616006957","","","1.54178","CuKα","","0.0398","0.0381","","","0.0966","0.0977","","","","","","1.1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543255","11.2908","0.001","13.8516","0.0014","14.6956","0.0017","104.477","0.008","96.359","0.008","111.675","0.007","2014.6","0.4","296","1","296","1","","","","","","","","7","P -1","-P 1","2","","Bis(pentafluorobenzenethiolato-κ<i>S</i>){(pentafluorophenyl)phenyl[3,4,5,6-tetrafluoro-2-(pentafluorophenylsulfanyl)phenyl]phosphane-κ^2^<i>P</i>,<i>S</i>}platinum(II) dichloromethane hemisolvate","","- C36.5 H6 Cl F24 P Pt S3 -","- C36.5 H6 Cl F24 P Pt S3 -","- C73 H12 Cl2 F48 P2 Pt2 S6 -","2","1","FF4006","Bernès, Sylvain; Torrens, Hugo","Bis(pentafluorobenzenethiolato-κ<i>S</i>){(pentafluorophenyl)phenyl[3,4,5,6-tetrafluoro-2-(pentafluorophenylsulfanyl)phenyl]phosphane-κ^2^<i>P</i>,<i>S</i>}platinum(II) dichloromethane hemisolvate","IUCrData","2016","1","5","x160696","","10.1107/S2414314616006969","","","0.71073","MoKα","","0.0521","0.0368","","","0.0824","0.089","","","","","","1.023","","","","has coordinates,has Fobs","182572","2020-10-21","18:00:00",""
"1543256","11.8562","0.0003","7.1984","0.0002","25.4331","0.0005","90","","101.045","0.001","90","","2130.4","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 13-(4-chlorophenyl)-11-methyl-6-oxo-5-phenyl-8-thia-3,4,5,10-tetraazatricyclo[7.4.0.0^2,7^]trideca-1(9),2(7),3,10,12-pentaene-12-carboxylate","","- C24 H17 Cl N4 O3 S -","- C24 H17 Cl N4 O3 S -","- C96 H68 Cl4 N16 O12 S4 -","4","1","TK4011","Al-Taifi, Elham A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.","Ethyl 13-(4-chlorophenyl)-11-methyl-6-oxo-5-phenyl-8-thia-3,4,5,10-tetraazatricyclo[7.4.0.0^2,7^]trideca-1(9),2(7),3,10,12-pentaene-12-carboxylate","IUCrData","2016","1","5","x160701","","10.1107/S241431461600701X","","","1.54178","CuKα","","0.0335","0.0313","","","0.0812","0.0832","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543257","9.87","0.007","10.624","0.008","11.319","0.007","74.34","0.02","81.35","0.02","68.246","0.019","1059.8","1.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-(trimethylsilylamido)-6-(trimethylsilylamino)pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^]bis[(diethyl ether-κ<i>O</i>)lithium(I)]","","- C30 H64 Li2 N6 O2 Si4 -","- C30 H64 Li2 N6 O2 Si4 -","- C30 H64 Li2 N6 O2 Si4 -","1","0.5","BH4003","Rave, Justin A.; Garcia, Diego A.; Hillesheim, Patrick C.; Guillet, Gary L.","Bis[μ-2-(trimethylsilylamido)-6-(trimethylsilylamino)pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^]bis[(diethyl ether-κ<i>O</i>)lithium(I)]","IUCrData","2016","1","5","x160707","","10.1107/S2414314616007070","","","0.71073","MoKα","","0.1087","0.0592","","","0.1249","0.1575","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543274","29.889","0.002","4.8479","0.0003","20.0427","0.0016","90","","104.337","0.002","90","","2813.7","0.3","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone","","- C17 H13 Br O4 -","- C17 H13 Br O4 -","- C136 H104 Br8 O32 -","8","1","PK4005","Ohira, Natsumi; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi","4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone","IUCrData","2016","1","5","x160753","","10.1107/S2414314616007537","","","0.71073","MoKα","","0.0411","0.03","","","0.0742","0.0803","","","","","","1.102","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543275","14.1096","0.0006","14.1096","0.0006","24.6537","0.0011","90","","90","","90","","4908.1","0.4","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","2-Amino-6-methylpyridinium 2-hydroxybenzoate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C208 H224 N32 O48 -","16","1","BT4008","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-6-methylpyridinium 2-hydroxybenzoate","IUCrData","2016","1","5","x160747","","10.1107/S2414314616007471","","","0.71073","MoKα","","0.1063","0.0546","","","0.1401","0.191","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543276","6.3268","0.0008","7.2868","0.001","28.272","0.004","90","","90","","90","","1303.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","HB4039","Pereira Almeida, Wanda; Paes Koury, Isabela; de Simoni, Deborah","<i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate","IUCrData","2016","1","5","x160752","","10.1107/S2414314616007525","","","0.71073","MoKα","","0.0315","0.0298","","","0.0779","0.0788","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543277","14.6503","0.0006","9.6974","0.0003","15.2946","0.0007","90","","93.284","0.002","90","","2169.33","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-methoxyphenyl)-1<i>H</i>-pyrrole-3-carbonitrile","","- C27 H18 Br N3 O2 -","- C27 H18 Br N3 O2 -","- C108 H72 Br4 N12 O8 -","4","1","SU4044","Vimala, G.; Raja, J. Kamal; Perumal, P. T.; SubbiahPandi, A.","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-methoxyphenyl)-1<i>H</i>-pyrrole-3-carbonitrile","IUCrData","2016","1","5","x160724","","10.1107/S2414314616007240","","","0.71073","MoKα","","0.0692","0.0353","","","0.1025","0.1386","","","","","","0.78","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543278","30.1064","0.0012","17.5911","0.0007","13.7937","0.0008","90","","92.613","0.004","90","","7297.6","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylidene)ethyl]-2<i>H</i>-pyran-2-one","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C336 H336 N48 O72 -","24","3","SJ4030","Rahmouni, Samra; Djedouani, Amel; Touzani, Rachid; Fleutot, Solenne; Bendaas, Abderrahmen","(<i>E</i>)-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylidene)ethyl]-2<i>H</i>-pyran-2-one","IUCrData","2016","1","5","x160729","","10.1107/S241431461600729X","","","0.71073","MoKα","","0.0867","0.0482","","","0.109","0.1253","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543279","6.1422","0.0014","18.117","0.004","11.061","0.002","90","","98.896","0.008","90","","1216","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(5-Chloro-2-hydroxyphenyl)-<i>N</i>'-(3-hydroxypropyl)ethanediamide","","- C11 H13 Cl N2 O4 -","- C11 H13 Cl N2 O4 -","- C44 H52 Cl4 N8 O16 -","4","1","SJ4028","Wang, Chang-Kai; Zheng, Kang; Li, Yan-Tuan; Wu, Zhi-Yong","<i>N</i>-(5-Chloro-2-hydroxyphenyl)-<i>N</i>'-(3-hydroxypropyl)oxalamide","IUCrData","2016","1","5","x160737","","10.1107/S2414314616007379","","","0.71073","MoKα","","0.1042","0.0471","","","0.0889","0.1065","","","","","","0.996","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543280","9.6524","0.0017","10.1168","0.0017","16.655","0.003","101.299","0.008","106.315","0.009","95.628","0.008","1510.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-Phenyl-<i>N</i>-(thiophen-2-ylmethylidene)imidazo[1,2-<i>a</i>]pyridin-3-amine","","- C18 H13 N3 S -","- C18 H13 N3 S -","- C72 H52 N12 S4 -","4","2","BT4007","Elaatiaoui, Abdelmalik; Elkalai, Fouad; Benchat, Noureddine; Saadi, Mohamed; El Ammari, Lahcen","(<i>E</i>)-2-Phenyl-<i>N</i>-(thiophen-2-ylmethylidene)imidazo[1,2-<i>a</i>]pyridin-3-amine","IUCrData","2016","1","5","x160723","","10.1107/S2414314616007239","","","0.71073","MoKα","","0.0742","0.0436","","","0.1068","0.1247","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543318","11.8931","0.0011","6.5358","0.0006","22.817","0.002","90","","93.239","0.001","90","","1770.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>Z</i>)-4-Benzyl-[(4-chlorophenyl)methylidene]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C22 H16 Cl N O S -","- C22 H16 Cl N O S -","- C88 H64 Cl4 N4 O4 S4 -","4","1","TK4010","Ellouz, Mohamed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Ouzidan, Younes; Mague, Joel T.; Zouihri, Hafid","4-Benzyl-2-(4-chlorobenzylidene)-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","IUCrData","2016","1","5","x160764","","10.1107/S2414314616007641","","","0.71073","MoKα","","0.0552","0.0437","","","0.1278","0.1321","","","","","","1.12","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543319","14.6923","0.0008","6.1988","0.0003","16.2254","0.0008","90","","92.911","0.001","90","","1475.82","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(6-bromo-2-phenyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-1-yl)acetate","","- C16 H14 Br N3 O2 -","- C16 H14 Br N3 O2 -","- C64 H56 Br4 N12 O8 -","4","1","BT4010","Hjouji, Mohammed Yassin; Kandri Rodi, Youssef; Mague, Joel T.; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid","Ethyl 2-(6-bromo-2-phenyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-1-yl)acetate","IUCrData","2016","1","5","x160771","","10.1107/S2414314616007719","","","0.71073","MoKα","","0.0414","0.0307","","","0.0781","0.0814","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543320","12.1163","0.0002","9.7911","0.0002","20.9428","0.0004","90","","90","","90","","2484.48","0.08","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C13 H9 Br Cl N3 -","- C13 H9 Br Cl N3 -","- C104 H72 Br8 Cl8 N24 -","8","1","BT4009","Bourichi, Selma; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid","6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2016","1","5","x160763","","10.1107/S241431461600763X","","","1.54178","CuKα","","0.0319","0.0261","","","0.0661","0.0694","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543333","5.6514","0.0016","21.22","0.007","7.381","0.002","90","","96.473","0.017","90","","879.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzo[4,5]imidazo[2,1-<i>b</i>]thiazole-2-carbaldehyde","","- C10 H6 N2 O S -","- C10 H6 N2 O S -","- C40 H24 N8 O4 S4 -","4","1","SU4045","Yallur, Basappa; Krishna, P. Murali; Hosamani, Amar A.","Benzo[4,5]imidazo[2,1-<i>b</i>]thiazole-2-carbaldehyde","IUCrData","2016","1","5","x160778","","10.1107/S2414314616007781","","","0.71073","MoKα","","0.1921","0.0581","","","0.1085","0.1504","","","","","","0.911","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543342","11.0395","0.0012","6.4734","0.0007","11.1397","0.0012","90","","98.889","0.001","90","","786.52","0.15","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C7 H6 Br N3 -","- C7 H6 Br N3 -","- C28 H24 Br4 N12 -","4","1","HB4043","Bouayad, Kaoutar; Kandri Rodi, Youssef; El Ghadraoui, El Houcine; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid","6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2016","1","5","x160766","","10.1107/S2414314616007665","","","0.71073","MoKα","","0.0524","0.0348","","","0.0842","0.0901","","","","","","0.994","","","","has coordinates,has Fobs","183058","2020-10-21","18:00:00",""
"1543343","25.755","0.007","6.5962","0.0016","14.503","0.004","90","","116.935","0.005","90","","2196.6","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)(phenyl)methanone","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Wang, Fengzhen; Peng, Songsong; Yue, Mingbo; Zhu, Ruitao","(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)(phenyl)methanone","IUCrData","2016","1","5","x160785","","10.1107/S2414314616007859","","","0.71073","MoKα","","0.0818","0.048","","","0.1019","0.1165","","","","","","1.013","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543344","9.8364","0.0008","5.9731","0.0005","17.0805","0.0015","90","","98.152","0.005","90","","993.4","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Carboxy-2-(piperidin-1-ium-1-yl)propanoate","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C36 H60 N4 O16 -","4","1","SJ4031","Sudhahar, S.; Sankaranarayanan, K.; Ravi, G.; Kumar, R. Mohan; Chakkaravarthi, G.","3-Carboxy-2-(piperidin-1-ium-1-yl)propanoate","IUCrData","2016","1","5","x160748","","10.1107/S2414314616007483","","","0.71073","MoKα","","0.1042","0.0566","","","0.1381","0.1716","","","","","","1.044","","","","has coordinates,has Fobs","183060","2020-10-21","18:00:00",""
"1543345","6.3283","0.0001","19.6204","0.0004","10.1245","0.0002","90","","105.746","0.001","90","","1209.92","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-<i>N</i>'-[(<i>Z</i>)-4-methylbenzylidene]-1<i>H</i>-pyrazole-3-carbohydrazide","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","HB4045","Karrouchi, Khalid; Ramli, Youssef; Taoufik, Jamal; Radi, Smaail; Ansar, Mhammed; Mague, Joel T.","5-Methyl-<i>N</i>'-[(<i>Z</i>)-4-methylbenzylidene]-1<i>H</i>-pyrazole-3-carbohydrazide","IUCrData","2016","1","5","x160793","","10.1107/S2414314616007938","","","1.54178","CuKα","","0.0399","0.0355","","","0.0872","0.0909","","","","","","1.049","","","","has coordinates,has Fobs","183061","2020-10-21","18:00:00",""
"1543346","14.5487","0.0009","10.1675","0.0006","10.4269","0.0006","90","","100.104","0.0017","90","","1518.47","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-<i>N</i>-(4-methylpyridin-2-yl)-<i>N</i>-(3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)pyridin-2-amine","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","El-Gokha, Ahmed; Schollmeyer, Dieter; Koch, Pierre","4-Methyl-<i>N</i>-(4-methylpyridin-2-yl)-<i>N</i>-(3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)pyridin-2-amine","IUCrData","2016","1","5","x160804","","10.1107/S241431461600804X","","","0.71069","MoKα","","0.0463","0.0418","","","0.1137","0.1216","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543347","5.83624","0.00017","8.4245","0.0003","17.0381","0.0005","90","","90","","90","","837.72","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>D</i>-(-)-2-Azaniumyl-2-(4-hydroxyphenyl)acetate","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","SJ4032","Zhang, Xiaohui; Yu, Yuzhen; Li, Zhanjun; Li, Wen","<small>D</small>-({-})-2-Azaniumyl-2-(4-hydroxyphenyl)acetate: an orthorhombic polymorph","IUCrData","2016","1","5","x160768","","10.1107/S2414314616007689","","","1.54184","CuKα","","0.0356","0.0333","","","0.0941","0.096","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543348","7.1355","0.0007","7.4786","0.0008","14.8254","0.0018","99.626","0.009","91.602","0.009","105.02","0.008","751.23","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-((<i>E</i>)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4<i>H</i>-chromen-4-one","","- C17 H11 F3 N2 O2 -","- C17 H11 F3 N2 O2 -","- C34 H22 F6 N4 O4 -","2","1","HB4046","Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Alaman Ağar, Ayşen","2-Amino-3-((<i>E</i>)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4<i>H</i>-chromen-4-one","IUCrData","2016","1","5","x160797","","10.1107/S2414314616007975","","","0.71073","MoKα","","0.0938","0.0487","","","0.1241","0.1405","","","","","","1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543349","4.8428","0.0002","31.7181","0.0014","10.7171","0.0005","90","","101.206","0.002","90","","1614.81","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1-nonylindoline-2,3-dione","","- C17 H22 Br N O2 -","- C17 H22 Br N O2 -","- C68 H88 Br4 N4 O8 -","4","1","SU4049","Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen","5-Bromo-1-nonylindoline-2,3-dione","IUCrData","2016","1","5","x160791","","10.1107/S2414314616007914","","","0.71073","MoKα","","0.0323","0.0262","","","0.0588","0.0608","","","","","","1.103","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543350","18.0701","0.0008","16.2611","0.0007","9.0801","0.0004","90","","97.645","0.002","90","","2644.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3',6'-Bis(diethylamino)-2-(prop-2-ynyl)spiro[isoindoline-1,9'-xanthen]-3-one","","- C31 H33 N3 O2 -","- C31 H33 N3 O2 -","- C124 H132 N12 O8 -","4","1","SU4041","Naaz, Y. Aamina; Savithri, Jothinathan Sathiya; Rajakumar, Perumal; SubbiahPandi, A.","3',6'-Bis(diethylamino)-2-(prop-2-ynyl)spiro[isoindoline-1,9'-xanthen]-3-one","IUCrData","2016","1","5","x160772","","10.1107/S2414314616007720","","","0.71073","MoKα","","0.0839","0.0533","","","0.1219","0.1533","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543351","19.2938","0.0015","7.8839","0.0006","19.6969","0.0017","90","","109.639","0.005","90","","2821.8","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(μ-diethyl sulfide-κ^2^<i>S</i>:<i>S</i>)bis[(biphenyl-2,2'-diyl)platinum(ll)]","","- C32 H36 Pt2 S2 -","- C32 H36 Pt2 S2 -","- C128 H144 Pt8 S8 -","4","1","ZL4008","Rillema, D. Paul; Moore, Curtis; Jehan, Ali","Bis(μ-diethyl sulfide-κ^2^<i>S</i>:<i>S</i>)bis[(biphenyl-2,2'-diyl)platinum(ll)]","IUCrData","2016","1","5","x160789","","10.1107/S2414314616007896","","","0.71073","MoKα","","0.0456","0.0333","","","0.0633","0.0664","","","","","","1.097","","","","has coordinates,has Fobs","183067","2020-10-21","18:00:00",""
"1543352","8.9998","0.0008","9.0314","0.0006","10.2747","0.0005","67.15","0.02","72.45","0.03","82.91","0.03","733.76","0.18","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate","","- C18 H13 F2 N O2 -","- C18 H13 F2 N O2 -","- C36 H26 F4 N2 O4 -","2","1","SJ4012","Shashidhar Bharadwaj, S.; Kumara, Karthik; Poojary, Boja; Yathirajan, H. S.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.","Ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate: a second triclinic polymorph","IUCrData","2016","1","5","x160739","","10.1107/S2414314616007392","","","0.71073","MoKα","","0.0837","0.0578","","","0.1528","0.1723","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543367","12.0924","0.0002","7.3293","0.0001","15.1975","0.0002","90","","90","","90","","1346.94","0.03","301","","301","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Octaamminecalcium dichloride","","- Ca Cl2 H24 N8 -","- Ca Cl2 H24 N8 -","- Ca4 Cl8 H96 N32 -","4","0.5","WM4011","Kishida, Yoshihiro; Aoki, Masakazu","Calcium octaammine dichloride","IUCrData","2016","1","5","x160835","","10.1107/S241431461600835X","powder diffraction","","0.99958","synchrotron","","0.0295","","","","","","0.02947","0.03926","1.186","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543368","14.193","0.003","11.912","0.002","21.253","0.004","90","","93.86","0.03","90","","3585","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(4-bromobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-bromobenzoate dihydrate","","- C38 H30 Br2 Mn N4 O7 -","- C38 H30 Br2 Mn N4 O7 -","- C152 H120 Br8 Mn4 N16 O28 -","4","1","","Hu, Ling-Xia; Zhang, Bi-Song","Aqua(4-bromobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-bromobenzoate dihydrate","IUCrData","2016","1","5","x160833","","10.1107/S2414314616008336","","","0.71073","MoKα","","0.1008","0.0555","","","0.1411","0.2049","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543369","6.6872","0.0002","7.9309","0.0002","13.9723","0.0004","82.348","0.002","84.783","0.001","88.71","0.001","731.35","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate","","- C15 H13 F3 N2 O3 -","- C15 H13 F3 N2 O3 -","- C30 H26 F6 N4 O6 -","2","1","SU4051","Maheswari, R.; Manjula, J.; Gunasekaran, B.; Bakiyaraj, G.","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate","IUCrData","2016","1","5","x160846","","10.1107/S2414314616008464","","","0.71073","MoKα","","0.0434","0.0364","","","0.104","0.1109","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543370","9.3566","0.0003","12.1189","0.0004","12.7055","0.0004","94.49","0.002","93.3","0.002","107.554","0.001","1364.39","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6b-Hydroxy-17-methyl-15-(3-nitrophenyl)-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one dichloromethane hemisolvate","","- C34.5 H26 Cl N3 O4 -","- C34.5 H26 Cl N3 O4 -","- C69 H52 Cl2 N6 O8 -","2","1","SU4048","Joseph, J. M.; Viswanathan, Vijayan; Velmurugan, Devadasan","6b-Hydroxy-17-methyl-15-(3-nitrophenyl)-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one dichloromethane hemisolvate","IUCrData","2016","1","5","x160828","","10.1107/S2414314616008282","","","0.71073","MoKα","","0.0594","0.0517","","","0.1423","0.1507","","","","","","1.03","","","","has coordinates,has Fobs","183133","2020-10-21","18:00:00",""
"1543371","15.1825","0.0008","17.7557","0.0007","26.2236","0.0013","90","","92.283","0.004","90","","7063.6","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(3',6'-Dihydroxy-3-oxo-3<i>H</i>-spiro[isobenzofuran-1,9'-xanthen]-5-yl)-3-[4-({4-[1-(4-fluorophenyl)-1<i>H</i>-imidazol-5-yl]pyridin-2-yl}amino)phenyl]thiourea; methanol","","- C42 H31 F N6 O6 S -","- C42 H31 F N6 O6 S -","- C336 H248 F8 N48 O48 S8 -","8","1","","Ansideri, Francesco; Schollmeyer, Dieter; Koch, Pierre","1-(3',6'-Dihydroxy-3-oxo-3<i>H</i>-spiro[isobenzofuran-1,9'-xanthen]-5-yl)-3-[4-({4-[1-(4-fluorophenyl)-1<i>H</i>-imidazol-5-yl]pyridin-2-yl}amino)phenyl]thiourea methanol monosolvate","IUCrData","2016","1","5","x160840","","10.1107/S2414314616008403","","","0.71073","MoKα","","0.1938","0.0701","","","0.1618","0.2397","","","","","","0.918","","","","has coordinates,has disorder,has Fobs","183134","2020-10-21","18:00:00",""
"1543417","6.2175","0.0002","10.2646","0.0004","20.7094","0.0008","102.511","0.002","94.343","0.002","95.263","0.002","1278.63","0.08","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","(4<i>E</i>)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C60 H48 N16 O8 -","4","2","TK4017","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Khodairy, Ahmed; Albayati, Mustafa R.; Ahmed, Eman A.","(4<i>E</i>)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione","IUCrData","2016","1","6","x160909","","10.1107/S2414314616009093","","","1.54178","CuKα","","0.075","0.0656","","","0.1648","0.1706","","","","","","1.112","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543418","14.178","0.003","6.9187","0.0018","7.6407","0.0012","90","","90","","90","","749.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,5-Dibromo-4-methylpyridine","","- C6 H5 Br2 N -","- C6 H5 Br2 N -","- C24 H20 Br8 N4 -","4","0.5","SJ4042","Medjani, Meriem; Brihi, Ouarda; Bouraoui, Hazem; Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean","3,5-Dibromo-4-methylpyridine","IUCrData","2016","1","6","x160859","","10.1107/S2414314616008592","","","0.71073","MoKα","","0.122","0.0511","","","0.125","0.125","","","","","","1.022","","","","has coordinates,has Fobs","183357","2020-10-21","18:00:00",""
"1543419","8.1594","0.0006","9.2419","0.0006","10.4393","0.0007","82.454","0.006","77.443","0.006","82.281","0.004","757.16","0.09","297","1","297","1","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-Dichlorido(6,11-dihydrodibenzo[<i>b</i>,<i>f</i>][1,4]dithiocine-κ^2^<i>S</i>,<i>S</i>')palladium(II)","","- C14 H12 Cl2 Pd S2 -","- C14 H12 Cl2 Pd S2 -","- C28 H24 Cl4 Pd2 S4 -","2","1","SJ4043","Bernès, Sylvain; Tiburcio, Jorge; Torrens, Hugo","<i>cis</i>-Dichlorido(6,11-dihydrodibenzo[<i>b</i>,<i>f</i>][1,4]dithiocine-κ^2^<i>S</i>,<i>S</i>')palladium(II)","IUCrData","2016","1","6","x160852","","10.1107/S241431461600852X","","","0.71073","MoKα","","0.0477","0.0318","","","0.0693","0.0759","","","","","","1.026","","","","has coordinates,has Fobs","183358","2020-10-21","18:00:00",""
"1543420","8.2338","0.0002","10.9617","0.0002","12.2646","0.0003","76.239","0.001","83.571","0.001","80.407","0.001","1057.12","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,4-Dichloro-<i>N</i>-{[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methyl}benzamide","","- C20 H18 Cl4 N2 O2 -","- C20 H18 Cl4 N2 O2 -","- C40 H36 Cl8 N4 O4 -","2","1","","Gomathi, S.; Reuben Jonathan, D.; Dravida Thendral, E. R. A.; Revathi, B. K.; Usha, G.","2,4-Dichloro-<i>N</i>-{[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methyl}benzamide","IUCrData","2016","1","6","x160919","","10.1107/S2414314616009196","","","0.71073","MoKα","","0.1545","0.0859","","","0.1477","0.1863","","","","","","1.065","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543421","8.2286","0.0003","14.9146","0.0006","10.4058","0.0004","90","","111.423","0.001","90","","1188.83","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclohexane-1,4-diammonium dithiocyanate","","- C8 H16 N4 S2 -","- C8 H16 N4 S2 -","- C32 H64 N16 S8 -","4","1","SJ4044","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Albayati, Mustafa R.","Cyclohexane-1,4-diammonium dithiocyanate","IUCrData","2016","1","6","x160864","","10.1107/S2414314616008646","","","1.54178","CuKα","","0.0417","0.037","","","0.097","0.1005","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543422","8.4761","0.0002","15.2842","0.0002","20.5734","0.0003","90","","90","","90","","2665.29","0.08","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium dicarbonyl(η^5^-pentamethylcyclopentadienyl)ferrate(II)","","- C24 H39 Fe K O8 -","- C24 H39 Fe K O8 -","- C96 H156 Fe4 K4 O32 -","4","1","WM4016","Mizuhata, Yoshiyuki; Yanagisawa, Tatsuya; Sasamori, Takahiro; Tokitoh, Norihiro","[K(18-crown-6)][FeCp*(CO)~2~]","IUCrData","2016","1","6","x160881","","10.1107/S2414314616008816","","","0.71075","MoKα","","0.0267","0.026","","","0.0665","0.0671","","","","","","1.11","","","","has coordinates,has Fobs","183361","2020-10-21","18:00:00",""
"1543423","3.9766","0.0004","11.9503","0.0013","17.947","0.002","90","","96.163","0.003","90","","847.94","0.16","299.69","","299.69","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-1-methylindoline-2,3-dione","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C36 H24 Cl4 N4 O8 -","4","1","TK4016","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","5-Chloro-1-methylindoline-2,3-dione","IUCrData","2016","1","6","x160913","","10.1107/S2414314616009135","","","0.71073","MoKα","","0.0538","0.0405","","","0.0959","0.1033","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543424","12.8934","0.0009","7.6576","0.0004","13.2374","0.0009","90","","113.58","0.008","90","","1197.83","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>N</i>-{Amino[(diaminomethylidene)amino]methylidene}-<i>N</i>-methylmethanaminium)tribromidozinc(II)","","- C4 H12 Br3 N5 Zn -","- C4 H12 Br3 N5 Zn -","- C16 H48 Br12 N20 Zn4 -","4","1","","Germán-Acacio, Juan M.; Rivas Arzate, Chrystian; Cardenas-Valencia, Zeus; Flores-Alamo, Marcos; Morales-Morales, David","(N-{Amino[(diaminomethylidene)amino]methylidene}-N-methylmethanaminium)tribromidozinc(II)","IUCrData","2016","1","6","x160855","","10.1107/S2414314616008555","","","0.71073","MoKα","","0.0821","0.0623","","","0.1891","0.2056","","","","","","1.081","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:32",""
"1543425","8.0406","0.0009","9.2313","0.0014","15.9898","0.0017","85.693","0.019","76.448","0.019","87.082","0.019","1149.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-<i>N</i>-(4-phenyl-1,3-thiazol-2-yl)acetamide","","- C11 H9 Cl N2 O S -","- C11 H9 Cl N2 O S -","- C44 H36 Cl4 N8 O4 S4 -","4","2","ZQ4007","Saravanan, K.; Elancheran, R.; Divakar, S.; Kabilan, S.; Selvanayagam, S.","2-Chloro-<i>N</i>-(4-phenyl-1,3-thiazol-2-yl)acetamide","IUCrData","2016","1","6","x160879","","10.1107/S2414314616008798","","","0.71073","MoKα","","0.0771","0.0554","","","0.1534","0.1739","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543454","16.249","0.003","9.878","0.002","8.2425","0.0016","90","","104.79","0.03","90","","1279.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-bromido]","","- C10 H8 Br2 N2 Pb -","- C10 H8 Br2 N2 Pb -","- C40 H32 Br8 N8 Pb4 -","4","0.5","","Zhang, Bi-Song; Wu, Chang-Sheng","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-bromido]","IUCrData","2016","1","5","x160782","","10.1107/S2414314616007823","","","0.71073","MoKα","","0.0628","0.0426","","","0.086","0.1236","","","","","","1.211","","","","has coordinates,has Fobs","183619","2020-10-21","18:00:00",""
"1543455","18.2964","0.0014","7.1388","0.0006","10.3574","0.0006","90","","90","","90","","1352.82","0.17","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Piperazin-1-ium 4-aminobenzoate monohydrate","","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","- C44 H76 N12 O12 -","4","1","SJ4036","Sivakumar, P.; Mani, A.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","Piperazin-1-ium 4-aminobenzoate monohydrate","IUCrData","2016","1","5","x160819","","10.1107/S2414314616008191","","","0.71073","MoKα","","0.0654","0.0378","","","0.0794","0.0911","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543456","15.5151","0.0003","7.1752","0.0001","14.4593","0.0003","90","","110.072","0.001","90","","1511.9","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(1<i>E</i>)-4-Bromobenzylidene]-5-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide","","- C17 H13 Br N4 O -","- C17 H13 Br N4 O -","- C68 H52 Br4 N16 O4 -","4","1","HB4044","Karrouchi, Khalid; Ramli, Youssef; Taoufik, Jamal; Radi, Smaail; Ansar, Mhammed; Mague, Joel T.","<i>N</i>'-[(1<i>E</i>)-4-Bromobenzylidene]-5-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide","IUCrData","2016","1","5","x160830","","10.1107/S2414314616008300","","","1.54178","CuKα","","0.0333","0.0299","","","0.0737","0.0756","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543457","4.0634","0.0001","11.9235","0.0003","18.0978","0.0005","90","","96.17","0.002","90","","871.76","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromo-1-methylindoline-2,3-dione","","- C9 H6 Br N O2 -","- C9 H6 Br N O2 -","- C36 H24 Br4 N4 O8 -","4","1","SJ4033","Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen","5-Bromo-1-methylindoline-2,3-dione","IUCrData","2016","1","5","x160792","","10.1107/S2414314616007926","","","0.71073","MoKα","","0.0528","0.0388","","","0.0954","0.1017","","","","","","1.073","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543458","8.2323","0.0003","12.9269","0.0006","16.6298","0.0008","90","","90","","90","","1769.71","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2,11-Tribromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H22 Br4 -","- C16 H22 Br4 -","- C64 H88 Br16 -","4","1","SU4046","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2,11-Tribromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","IUCrData","2016","1","5","x160820","","10.1107/S2414314616008208","","","0.71073","MoKα","","0.0456","0.0331","","","0.0557","0.059","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543459","13.0967","0.0008","8.1049","0.0004","30.3013","0.0018","90","","97.543","0.003","90","","3188.6","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methylpyridinium 2-carboxybenzoate–benzene-1,2-dicarboxylic acid (2/1)","","- C18 H16 N O6 -","- C18 H16 N O6 -","- C144 H128 N8 O48 -","8","1","SJ4037","Sivakumar, P.; Sudhahar, S.; Gunasekaran, B.; Israel, S.; Chakkaravarthi, G.","2-Methylpyridinium 2-carboxybenzoate–benzene-1,2-dicarboxylic acid (2/1)","IUCrData","2016","1","5","x160817","","10.1107/S2414314616008178","","","0.71073","MoKα","","0.1097","0.0463","","","0.1093","0.1389","","","","","","0.999","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543460","7.3951","0.0004","9.0021","0.0004","10.5163","0.0004","97.298","0.003","92.096","0.003","90.4322","0.0018","693.9","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-methoxy-6-methylpyrimidinium hydrogen phthalate","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C28 H30 N6 O10 -","2","1","SU4043","Sangeetha, Ramalingam; Edison, Bellarmin; Thanikasalam, Kanagasabapathy; Kavitha, Savaridasson Jose; Balasubramani, Kasthuri","2-Amino-4-methoxy-6-methylpyrimidinium hydrogen phthalate","IUCrData","2016","1","5","x160794","","10.1107/S241431461600794X","","","0.71073","MoKα","","0.0767","0.0576","","","0.1713","0.209","","","","","","1.119","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543461","7.9149","0.0003","9.3676","0.0004","21.6431","0.0008","90","","90","","90","","1604.7","0.11","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(Pyridin-4-yl)propan-1-one oxime","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","2","","Eitel, Michael; Schollmeyer, Dieter; Koch, Pierre","(<i>E</i>)-1-(Pyridin-4-yl)propan-1-one oxime","IUCrData","2016","1","5","x160803","","10.1107/S2414314616008038","","","1.54178","CuKα","","0.0325","0.031","","","0.0824","0.0884","","","","","","1.115","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543462","12.4858","0.0006","14.0212","0.0006","9.848","0.0004","90","","98.179","0.001","90","","1706.51","0.13","183","2","183","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide","","- C8 H11 F6 N3 O6 S2 -","- C8 H11 F6 N3 O6 S2 -","- C32 H44 F24 N12 O24 S8 -","4","1","HB4048","Partl, Gabriel; Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide","IUCrData","2016","1","5","x160824","","10.1107/S2414314616008245","","","0.71073","MoKα","","0.0334","0.0326","","","0.0906","0.0915","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543472","4.731","0.0001","11.9082","0.0003","13.2907","0.0004","87.354","0.001","82.381","0.001","85.283","0.001","739.17","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(5<i>Z</i>)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C30 H30 N2 O8 S2 -","2","1","HB4050","Khalid, Karrouchi; Tachallait, Hamza; Khalid, Bougrin; Mague, Joel T.; Ramli, Youssef","Ethyl 2-[(5<i>Z</i>)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","IUCrData","2016","1","6","x160851","","10.1107/S2414314616008518","","","1.54178","CuKα","","0.0391","0.0366","","","0.0943","0.0956","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543473","4.4576","0.0002","27.6646","0.0011","20.953","0.0008","90","","93.87","0.002","90","","2577.98","0.18","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzyl-5-chloroindoline-2,3-dione","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C120 H80 Cl8 N8 O16 -","8","2","HB4051","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-Benzyl-5-chloroindoline-2,3-dione","IUCrData","2016","1","6","x160854","","10.1107/S2414314616008543","","","0.71073","MoKα","","0.0738","0.0431","","","0.1024","0.1175","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543474","7.6004","0.0003","7.92","0.0003","9.3621","0.0003","113.02","0.001","91.404","0.002","118.35","0.002","440.83","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-(5-Nitro-1<i>H</i>-indazol-1-yl)ethanone","","- C9 H7 N3 O3 -","- C9 H7 N3 O3 -","- C18 H14 N6 O6 -","2","1","ZQ4008","Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-(5-Nitro-1<i>H</i>-indazol-1-yl)ethanone","IUCrData","2016","1","6","x160939","","10.1107/S2414314616009391","","","1.54178","CuKα","","0.0423","0.0381","","","0.1002","0.1045","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543475","4.6344","0.0002","12.6284","0.0006","25.3537","0.0012","90","","90","","90","","1483.83","0.12","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Bromo-1-(6-bromohexyl)indoline-2,3-dione","","- C14 H15 Br2 N O2 -","- C14 H15 Br2 N O2 -","- C56 H60 Br8 N4 O8 -","4","1","BT4013","Kharbach, Yassine; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","5-Bromo-1-(6-bromohexyl)indoline-2,3-dione","IUCrData","2016","1","6","x160883","","10.1107/S241431461600883X","","","0.71073","MoKα","","0.0591","0.0333","","","0.0649","0.0717","","","","","","1.018","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543476","7.2571","0.0002","9.7909","0.0002","12.006","0.0002","112.984","0.001","98.163","0.001","96.909","0.001","762.8","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-((<i>E</i>)-{2-[4-(2-{(1<i>E</i>)-[(Carbamothioylamino)imino]methyl}phenoxy)butoxy]benzylidene}amino)thiourea dimethyl sulfoxide disolvate","","- C24 H36 N6 O4 S4 -","- C24 H36 N6 O4 S4 -","- C24 H36 N6 O4 S4 -","1","0.5","HG4009","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdel-Raheem, Eman M. M.; Albayati, Mustafa R.","1-((<i>E</i>)-{2-[4-(2-{(1<i>E</i>)-[(carbamothioylamino)imino]methyl}phenoxy)butoxy]benzylidene}amino)thiourea dimethyl sulfoxide disolvate","IUCrData","2016","1","6","x160946","","10.1107/S2414314616009469","","","1.54178","CuKα","","0.0596","0.056","","","0.1582","0.1622","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543477","6.0099","0.0003","8.7905","0.0004","9.2603","0.0004","91.03","0.002","91.835","0.002","94.878","0.002","487.09","0.04","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","1,1'-(Ethane-1,2-diyl)bis[3-(4-chlorobenzoyl)thiourea]","","- C18 H16 Cl2 N4 O2 S2 -","- C18 H16 Cl2 N4 O2 S2 -","- C18 H16 Cl2 N4 O2 S2 -","1","0.5","SJ4038","Abusaadiya, Salima M.; Yamin, Bohari M.; Ngatiman, Fadzlee; Hasbullah, Siti Aishah","1,1'-(Ethane-1,2-diyl)bis[3-(4-chlorobenzoyl)thiourea]","IUCrData","2016","1","6","x160927","","10.1107/S2414314616009275","","","0.71073","MoKα","","0.0476","0.0356","","","0.0859","0.0944","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543478","8.0416","0.0008","9.4577","0.001","9.7397","0.001","74.168","0.002","84.636","0.002","78.731","0.002","698.28","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Methyl 8-oxo-2-phenyl-1-oxaspiro[4.5]deca-2,6,9-triene-3-carboxylate","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","","Gomes, Ralph C.; de Simoni, Deborah; Coelho, Fernando","Methyl 8-oxo-2-phenyl-1-oxaspiro[4.5]deca-2,6,9-triene-3-carboxylate","IUCrData","2016","1","6","x160925","","10.1107/S2414314616009251","","","0.71073","MoKα","","0.0418","0.0391","","","0.096","0.0985","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543479","9.7953","0.0003","12.4179","0.0003","14.4833","0.0004","90","","107.49","0.001","90","","1680.26","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Acetamido-1<i>H</i>-pyrazole-4-carboxamide monohydrate","","- C6 H10 N4 O3 -","- C6 H10 N4 O3 -","- C48 H80 N32 O24 -","8","2","TK4015","El Ghayati, Lhoussaine; Ramli, Youssef; Essassi, El Mokhtar; Taha, Mohamed Labd; Mague, Joel T.","5-Acetamido-1<i>H</i>-pyrazole-4-carboxamide monohydrate","IUCrData","2016","1","6","x160947","","10.1107/S2414314616009470","","","1.54178","CuKα","","0.0413","0.0363","","","0.0919","0.096","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543480","5.094","0.0012","14.738","0.003","15.703","0.003","90","","96.932","0.009","90","","1170.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-<i>N</i>-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide","","- C11 H8 Cl2 N2 O S -","- C11 H8 Cl2 N2 O S -","- C44 H32 Cl8 N8 O4 S4 -","4","1","BT4014","Saravanan, K.; Priya, K.; Anand, S. Athavan Alias; Kabilan, S.; Selvanayagam, S.","2-Chloro-<i>N</i>-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide","IUCrData","2016","1","6","x160903","","10.1107/S2414314616009032","","","0.71073","MoKα","","0.0818","0.0627","","","0.1684","0.1776","","","","","","0.977","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543481","5.7659","0.0011","8.5396","0.0017","10.804","0.002","81.579","0.006","88.02","0.006","71.167","0.006","498.02","0.17","200","2","200.15","","","","","","","","","3","P -1","-P 1","2","","4-[(<i>E</i>)-4-Hydroxybut-2-en-1-yl]-2-methoxyphenol","","- C11 H14 O3 -","- C11 H14 O3 -","- C22 H28 O6 -","2","1","SJ4039","Knight, Kyle S.; Orick, Michael C.","4-[(<i>E</i>)-4-Hydroxybut-2-en-1-yl]-2-methoxyphenol","IUCrData","2016","1","6","x160936","","10.1107/S2414314616009366","","","0.71073","MoKα","","0.0551","0.0456","","","0.1085","0.1135","","","","","","1.067","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543482","31.2222","0.0006","7.9107","0.0002","8.3373","0.0002","90","","90","","90","","2059.23","0.08","296.15","","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1-Allyl-5-chloroindoline-2,3-dione","","- C11 H8 Cl N O2 -","- C11 H8 Cl N O2 -","- C88 H64 Cl8 N8 O16 -","8","1","HB4053","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid","1-Allyl-5-chloroindoline-2,3-dione","IUCrData","2016","1","6","x160862","","10.1107/S2414314616008622","","","0.71073","MoKα","","0.0633","0.0459","","","0.1308","0.1462","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543483","8.676","0.0003","8.7882","0.0003","9.8142","0.0004","78.2","0.001","73.311","0.001","86.242","0.001","701.61","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-[(2<i>Z</i>)-2-Benzylidene-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl]acetic acid","","- C17 H13 N O3 S -","- C17 H13 N O3 S -","- C34 H26 N2 O6 S2 -","2","1","HB4054","Sebbar, Nada Kheira; Ellouz, Mohamed; Mague, Joel T.; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid","2-[(2<i>Z</i>)-2-Benzylidene-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl]acetic acid","IUCrData","2016","1","6","x160863","","10.1107/S2414314616008634","","","1.54178","CuKα","","0.0333","0.0321","","","0.0821","0.0831","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543484","7.8524","0.0004","14.8559","0.0009","12.6646","0.0006","90","","96.964","0.005","90","","1466.48","0.14","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]","","- C4 H18 B2 Na2 O14 -","- C4 H18 B2 Na2 O14 -","- C16 H72 B8 Na8 O56 -","4","1","WM4014","Rajasekar, Gunasekaran; Vinothkumar, Panchanathan; Sudhahar, Sakkarapani; Chakkaravarthi, Ganesan; Bhaskaran, Arumugam","<i>catena</i>-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]","IUCrData","2016","1","6","x160948","","10.1107/S2414314616009482","","","0.71073","MoKα","","0.1153","0.0687","","","0.1338","0.1641","","","","","","1.094","","","","has coordinates,has Fobs","183696","2020-10-21","18:00:00",""
"1543485","7.2648","0.0003","8.7228","0.0004","8.9297","0.0004","82.834","0.002","71.465","0.002","85.478","0.001","531.86","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate","","- C8 H13 N7 O2 -","- C8 H13 N7 O2 -","- C16 H26 N14 O4 -","2","1","HG4007","Lahmidi, Sanae; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.; Zouihri, Hafid","2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate","IUCrData","2016","1","6","x160870","","10.1107/S2414314616008701","","","1.54178","CuKα","","0.042","0.0393","","","0.1018","0.1042","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543486","11.759","0.0011","7.2852","0.0006","15.967","0.0016","90","","105.42","0.003","90","","1318.6","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dihydroxy-2,3-dinitro-9,10-anthraquinone","","- C14 H6 N2 O8 -","- C14 H6 N2 O8 -","- C56 H24 N8 O32 -","4","1","SJ4045","Furukawa, Wataru; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi","1,4-Dihydroxy-2,3-dinitro-9,10-anthraquinone","IUCrData","2016","1","6","x160906","","10.1107/S2414314616009068","","","0.71073","MoKα","","0.0431","0.0388","","","0.1089","0.114","","","","","","1.062","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543503","8.0353","0.0004","8.3496","0.0005","17.1096","0.0011","84.491","0.003","78.086","0.003","65.126","0.002","1018.94","0.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","1-(12-Bromododecyl)-5-chloroindoline-2,3-dione","","- C20 H27 Br Cl N O2 -","- C20 H27 Br Cl N O2 -","- C40 H54 Br2 Cl2 N2 O4 -","2","1","FF4007","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid","1-(12-Bromododecyl)-5-chloroindoline-2,3-dione","IUCrData","2016","1","6","x160971","","10.1107/S2414314616009718","","","0.71073","MoKα","","0.0683","0.0456","","","0.1098","0.1206","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543504","18.28","0.014","5.493","0.004","18.298","0.014","90","","96.02","0.006","90","","1827","2","93","","93","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Takase, Tsugiko; Soga, Yuka; Oyama, Dai","4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine","IUCrData","2016","1","6","x160950","","10.1107/S2414314616009500","","","0.71075","MoKα","","","0.0998","","","","0.2237","","","","","","1.144","","","","has coordinates,has Fobs","183850","2020-10-21","18:00:00",""
"1543505","7.1617","0.0004","7.2787","0.0004","14.4257","0.0008","77.0382","0.0009","78.7453","0.0008","61.5479","0.0007","640.88","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3,4-Bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole","","- C12 H6 Br2 N4 S -","- C12 H6 Br2 N4 S -","- C24 H12 Br4 N8 S2 -","2","1","IS4008","Becker, Lisanne; Altenburger, Kai; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe","A second polymorph of 3,4-bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole","IUCrData","2016","1","6","x160960","","10.1107/S2414314616009603","","","0.71073","MoKα","","0.03","0.0262","","","0.0727","0.0747","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543506","6.3586","0.0004","13.6276","0.0009","11.7469","0.0008","90","","104.559","0.002","90","","985.21","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Methylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","","- C20 H17 N3 O8 -","- C20 H17 N3 O8 -","- C40 H34 N6 O16 -","2","1","VM4009","Sivakumar, P.; Niranjana Devi, R.; Israel, S.; Chakkaravarthi, G.","3-Methylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","IUCrData","2016","1","6","x160979","","10.1107/S2414314616009792","","","0.71073","MoKα","","0.078","0.0452","","","0.1005","0.1172","","","","","","1.085","","","","has coordinates,has Fobs","183852","2020-10-21","18:00:00",""
"1543529","19.1437","0.0006","7.642","0.0003","13.2619","0.0004","90","","97.369","0.001","90","","1924.14","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-([4,4'-Bipyridine]-1,1'-diium-1,1'-diyl)dibenzoate dihydrate","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","0.5","PK4006","Rodriguez, Mark A.; Sava Gallis, Dorina F.; Chavez, James S.; Klivansky, Liana M.; Liu, Yi","4,4'-([4,4'-Bipyridine]-1,1'-diium-1,1'-diyl)dibenzoate dihydrate","IUCrData","2016","1","6","x160966","","10.1107/S2414314616009664","","","1.54178","CuKα","","0.0437","0.0408","","","0.1347","0.1388","","","","","","1.116","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543530","16.51","0.0008","4.459","0.0002","17.5229","0.0008","90","","98.108","0.005","90","","1277.11","0.1","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","1,3-Bis(1-methyl-5-thioxo-1,2,4-triazolin-4-yl)urea","","- C7 H10 N8 O S2 -","- C7 H10 N8 O S2 -","- C28 H40 N32 O4 S8 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","1,3-Bis(1-methyl-5-thioxo-1,2,4-triazolin-4-yl)urea","IUCrData","2016","1","6","x160992","","10.1107/S2414314616009925","","","0.71073","MoKα","","0.0406","0.0326","","","0.0731","0.078","","","","","","1.041","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543531","20.7884","0.0008","3.7215","0.0001","23.8849","0.0009","90","","98.582","0.002","90","","1827.14","0.11","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C80 H72 N8 O32 -","8","2","BH4007","Filali Baba, Yassir; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid","2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate","IUCrData","2016","1","6","x160997","","10.1107/S2414314616009974","","","1.54178","CuKα","","0.0498","0.0408","","","0.1028","0.1099","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543532","3.9098","0.0001","40.7555","0.0015","6.0917","0.0002","90","","93.748","0.001","90","","968.61","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(5<i>Z</i>)-5-(4-Chlorobenzylidene)-1,3-thiazolidine-2,4-dione","","- C10 H6 Cl N O2 S -","- C10 H6 Cl N O2 S -","- C40 H24 Cl4 N4 O8 S4 -","4","1","XU4009","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","(5<i>Z</i>)-5-(4-Chlorobenzylidene)-1,3-thiazolidine-2,4-dione","IUCrData","2016","1","6","x160988","","10.1107/S2414314616009883","","","1.54178","CuKα","","0.0354","0.0342","","","0.0873","0.0882","","","","","","1.142","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543533","4.8087","0.0002","11.0283","0.0005","11.1135","0.0005","108.704","0.003","96.174","0.003","100.533","0.003","540.03","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","2-Amino-4-methoxy-6-methylpyrimidin-1-ium trifluoroacetate","","- C8 H10 F3 N3 O3 -","- C8 H10 F3 N3 O3 -","- C16 H20 F6 N6 O6 -","2","1","SU4055","Jeevaraj, Muthaiah; Edison, Bellarmin; Kavitha, Savaridasson Jose; Thanikasalam, Kanagasabapathy; Britto, Sebastian; Balasubramani, Kasthuri","2-Amino-4-methoxy-6-methylpyrimidin-1-ium trifluoroacetate","IUCrData","2016","1","6","x161010","","10.1107/S2414314616010105","","","0.71073","MoKα","","0.096","0.0645","","","0.1963","0.2448","","","","","","1.078","","","","has coordinates,has Fobs","183950","2020-10-21","18:00:00",""
"1543534","12.7331","0.0003","12.9694","0.0003","14.6354","0.0003","104.159","0.0006","101.358","0.0006","112.687","0.0006","2044.33","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl- 5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ^2^<i>P</i>,<i>P</i>'}palladium(II)) diethyl ether disolvate","","- C44 H128 Cl4 N8 O2 P4 Pd2 Si12 -","- C44 H128 Cl4 N8 O2 P4 Pd2 Si12 -","- C44 H128 Cl4 N8 O2 P4 Pd2 Si12 -","1","0.5","IS4009","Höhne, Martha; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl-5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ^2^<i>P</i>,<i>P</i>'}palladium(II)) diethyl ether disolvate","IUCrData","2016","1","6","x160986","","10.1107/S241431461600986X","","","0.71073","MoKα","","0.032","0.0285","","","0.0728","0.0755","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","183951","2020-10-21","18:00:00",""
"1543535","11.7526","0.0003","10.4082","0.0003","25.5656","0.0007","90","","90","","90","","3127.27","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C144 H128 N16 O16 S8 -","8","1","SJ4050","Sebbar, Nada Kheira; Ellouz, Mohamed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","IUCrData","2016","1","6","x161012","","10.1107/S2414314616010129","","","0.71073","MoKα","","0.0772","0.0415","","","0.0962","0.1163","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543536","33.4769","0.0017","7.4977","0.0003","9.7916","0.0004","90","","90","","90","","2457.69","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Methyl-5-nitro-3-phenyl-1<i>H</i>-indazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","2","SJ4047","Naas, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Methyl-5-nitro-3-phenyl-1<i>H</i>-indazole","IUCrData","2016","1","6","x160961","","10.1107/S2414314616009615","","","0.71073","MoKα","","0.0906","0.049","","","0.1101","0.13","","","","","","1.01","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543537","10.857","0.003","26.523","0.008","33.064","0.01","90","","90","","90","","9521","5","298","","298","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[μ~4~-2,2'-(1,3-phenylene)bis(imidazol-1-yl)-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''']dicopper(I)]","","- C30 H20 Cu2 N6 -","- C30 H20 Cu2 N6 -","- C480 H320 Cu32 N96 -","16","","WM5300","Zhou, Rui; Meng, Fa-Yan; Li, Xue-Hua","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[μ~4~-2,2'-(1,3-phenylene)bis(imidazol-1-yl)-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''']dicopper(I)]","IUCrData","2016","1","6","x161007","","10.1107/S2414314616010075","","","0.71073","MoKα","","0.049","0.0349","","","0.0775","0.0838","","","","","","1.088","","","","has coordinates,has Fobs","183954","2020-10-21","18:00:00",""
"1543538","5.8132","0.0008","19.763","0.002","11.656","0.001","90","","96.85","0.01","90","","1329.6","0.3","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-bromophenyl dipyrromethane","2,2'-[(4-Bromophenyl)methylene]bis(1<i>H</i>-pyrrole)","","- C15 H13 Br N2 -","- C15 H13 Br N2 -","- C60 H52 Br4 N8 -","4","1","SU4054","Bauri, A. K.; Foro, Sabine; Nguyen, Nhu Do Quynh","2,2'-[(4-Bromophenyl)methylene]bis(1<i>H</i>-pyrrole)","IUCrData","2016","1","6","x161005","","10.1107/S2414314616010051","","","0.71073","MoKα","","0.0835","0.0631","","","0.1641","0.1762","","","","","","1.2","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543539","19.564","0.016","9.127","0.008","11.001","0.01","90","","94.88","0.04","90","","1957","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4<i>S</i>,5<i>R</i>)-3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C23 H21 Cl N2 O -","- C23 H21 Cl N2 O -","- C92 H84 Cl4 N8 O4 -","4","1","BT4016","Ben Soumane, Yahya; Baouid, Abdesselam; El Hadrami, El Mestafa; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(4<i>S</i>,5<i>R</i>)-3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2016","1","6","x161022","","10.1107/S2414314616010221","","","0.71073","MoKα","","0.1321","0.0485","","","0.0968","0.1233","","","","","","0.966","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543540","8.6905","0.0002","9.0249","0.0003","10.824","0.0003","68.803","0.001","78.52","0.001","72.98","0.001","752.69","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Oxopropylidene)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","SJ4049","Sebhaoui, Jihad; El Bakri, Youness; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1<i>H</i>)-one","IUCrData","2016","1","6","x161013","","10.1107/S2414314616010130","","","1.54178","CuKα","","0.0412","0.0381","","","0.1043","0.1074","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543541","11.8614","0.0004","15.8834","0.0006","6.7495","0.0002","90","","102.411","0.002","90","","1241.89","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(<i>Z</i>)-2-(2-nitrophenyl)hydrazinylidene]propanoate","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","BT4015","Errossafi, Amal; El Kihel, Abdellatif; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-[(<i>Z</i>)-2-(2-nitrophenyl)hydrazinylidene]propanoate","IUCrData","2016","1","6","x161015","","10.1107/S2414314616010154","","","0.71073","MoKα","","0.1033","0.0488","","","0.1134","0.146","","","","","","1.022","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543542","6.3365","0.0004","21.5911","0.0018","6.6167","0.0006","90","","100.661","0.007","90","","889.62","0.12","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","caesium salicylate monohydrate","Poly[(μ~2~-aqua-μ~4~-(salicylato-κ^4^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1'^:\ <i>O</i>^2^)-caesium]","","- C7 H7 Cs O4 -","- C7 H7 Cs O4 -","- C28 H28 Cs4 O16 -","4","1","WM4017","Smith, Graham","A second monoclinic polymorph of caesium salicylate monohydrate","IUCrData","2016","1","6","x160980","","10.1107/S2414314616009809","","","0.71073","MoKα","","0.043","0.0328","","","0.0618","0.067","","","","","","1.015","","","","has coordinates,has Fobs","183959","2020-10-21","18:00:00",""
"1543543","7.6682","0.0003","16.5504","0.0006","16.2358","0.0007","90","","93.775","0.001","90","","2056.04","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-1-methyl-4-oxo-1<i>H</i>-imidazol-3-ium) 3-nitrobenzene-1,2-dioate monohydrate","","- C16 H21 N7 O9 -","- C16 H21 N7 O9 -","- C64 H84 N28 O36 -","4","1","","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","Bis(creatininium) 3-nitrophthalate monohydrate","IUCrData","2016","1","6","x160989","","10.1107/S2414314616009895","","","0.71073","MoKα","","0.039","0.0339","","","0.0915","0.0971","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543574","7.9645","0.0005","10.3576","0.0006","12.7222","0.0007","101.576","0.005","101.64","0.005","100.566","0.005","979.21","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Sulfamethizole–2-amino-4,6-dimethoxypyrimidine (1/1)","4-Amino-<i>N</i>-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide; 2-amino-4,6-dimethoxypyrimidine","","- C15 H19 N7 O4 S2 -","- C15 H19 N7 O4 S2 -","- C30 H38 N14 O8 S4 -","2","1","HB4056","Öztürk, Filiz; Bulut, İclal; Yavuz, Yunus Emre; Bulut, Ahmet","Sulfamethizole–2-amino-4,6-dimethoxypyrimidine (1/1)","IUCrData","2016","1","6","x161030","","10.1107/S2414314616010300","","","0.71073","MoKα","","0.0533","0.0451","","","0.1065","0.1109","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543575","9.7931","0.0012","8.6816","0.0011","14.1098","0.0017","90","","94.003","0.004","90","","1196.7","0.3","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradeca-4,11-diene bis(methanesulfonate)","","- C18 H40 N4 O6 S2 -","- C18 H40 N4 O6 S2 -","- C36 H80 N8 O12 S4 -","2","0.5","HB4059","Spendel, Katherine; Nazarenko, Alexander Y.","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradeca-4,11-diene bis(methanesulfonate)","IUCrData","2016","1","6","x161033","","10.1107/S2414314616010336","","","0.71073","MoKα","","0.0627","0.0408","","","0.0999","0.1102","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543576","6.3184","0.0002","15.4673","0.0006","13.2528","0.0005","90","","98.762","0.002","90","","1280.06","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>E</i>)-1-Phenyl-4-[(piperidin-1-yl)methylidene]pyrazolidine-3,5-dione","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C60 H68 N12 O8 -","4","1","HB4060","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Ahmed, Eman A.; Mohamed, Alaa F.; Albayati, Mustafa R.","(4<i>E</i>)-1-Phenyl-4-[(piperidin-1-yl)methylidene]pyrazolidine-3,5-dione","IUCrData","2016","1","6","x161028","","10.1107/S2414314616010282","","","1.54178","CuKα","","0.06","0.0427","","","0.1018","0.1093","","","","","","1.028","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543618","5.875","0.0002","25.9891","0.0012","10.3089","0.0004","90","","90.761","0.004","90","","1573.89","0.11","423","2","423","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(3-benzoylthioureido)-3-phenylpropanoic acid","2-(3-Benzoylthioureido)-3-phenylpropanoic acid","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Chong, Yan Yi; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","2-(3-Benzoylthioureido)-3-phenylpropanoic acid","IUCrData","2016","1","7","x161091","","10.1107/S2414314616010919","","","1.54178","CuKα","","0.038","0.0354","","","0.0942","0.0964","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543619","11.374","0.002","14.363","0.003","5.05","0.002","90","","90","","90","","825","0.4","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","Veratraldehyde","3,4-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","HB4058","de Ronde, Erik; Brugman, Sander J.T.; Koning, Niels; Tinnemans, Paul; Vlieg, Elias","3,4-Dimethoxybenzaldehyde","IUCrData","2016","1","7","x161008","","10.1107/S2414314616010087","","","0.71073","MoKα","","0.0467","0.035","","","0.0899","0.0969","","","","","","1.028","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543620","8.7733","0.0002","8.8342","0.0002","39.4158","0.001","90","","94.15","0.002","90","","3046.92","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II) bis(perchlorate) hemihydrate","","- C30 H23 Cl2 N6 Ni O8.5 -","- C30 H23 Cl2 N6 Ni O8.5 -","- C120 H92 Cl8 N24 Ni4 O34 -","4","1","SU4053","Anderer, Carolin; Näther, Christian; Bensch, Wolfgang","Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II) bis(perchlorate) hemihydrate","IUCrData","2016","1","7","x161009","","10.1107/S2414314616010099","","","0.71073","MoKα","","0.0432","0.039","","","0.1037","0.1068","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543621","31.808","0.003","4.6312","0.0004","19.0381","0.0016","90","","122.839","0.003","90","","2356.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-(6-nitro-2<i>H</i>-indazol-2-yl)acetate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C88 H88 N24 O32 -","8","1","TK4019","Rejouani, Fatima-Zahra; Mojahidi, Souad; Rakib, El Mostapha; Mdeghri Alaoui, Abdelouahed; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-(6-nitro-2<i>H</i>-indazol-2-yl)acetate","IUCrData","2016","1","7","x161074","","10.1107/S2414314616010749","","","0.71073","MoKα","","0.06","0.0444","","","0.126","0.1401","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543622","6.1957","0.0002","10.646","0.0003","12.2909","0.0003","68.845","0.001","78.971","0.001","84.919","0.001","741.93","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(5<i>Z</i>)-5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","","- C15 H15 N O5 S -","- C15 H15 N O5 S -","- C30 H30 N2 O10 S2 -","2","1","HB4063","Tachallait, Hamza; Karrouchi, Khalid; Bougrin, Khalid; Mague, Joel T.; Ramli, Youssef","Ethyl 2-[(5<i>Z</i>)-5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","IUCrData","2016","1","7","x161041","","10.1107/S2414314616010415","","","1.54178","CuKα","","0.0324","0.0302","","","0.077","0.0787","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543623","7.9078","0.00014","8.27871","0.00015","13.4075","0.0003","73.8395","0.0007","79.2764","0.0007","68.1246","0.0007","779.01","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","Dichlorido[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>]-1,5-naphthyridine-κ<i>N</i>^1^]zinc","","- C17 H11 Cl2 N3 Zn -","- C17 H11 Cl2 N3 Zn -","- C34 H22 Cl4 N6 Zn2 -","2","1","","Ohtsu, Hideki; Oura, Takahiro; Takaoka, Mikio; Tsuge, Kiyoshi; Tanaka, Koji","Dichlorido[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]zinc","IUCrData","2016","1","7","x161093","","10.1107/S2414314616010932","","","1.54187","CuKα","","","0.039","","","","0.1082","","","","","","1.084","","","","has coordinates,has Fobs","184296","2020-10-21","18:00:00",""
"1543624","7.004","0.009","14.054","0.017","15.275","0.019","90","","90.368","0.012","90","","1504","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","","- C18 H12 N2 O3 S -","- C18 H12 N2 O3 S -","- C72 H48 N8 O12 S4 -","4","1","BT4017","Saravanan, K.; Archana, K.; Lakshmithendral, K.; Kabilan, S.; Selvanayagam, S.","2-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","IUCrData","2016","1","7","x161053","","10.1107/S2414314616010531","","","0.71073","MoKα","","0.1041","0.0655","","","0.1724","0.2188","","","","","","1.072","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543625","9.5048","0.0004","4.8237","0.0002","23.3395","0.0011","90","","100.829","0.002","90","","1051.02","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,6-Dimethyl-benzofuran-3-yl-acetic acid","2-(4,6-Dimethyl-1-benzofuran-3-yl)acetic acid","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Ramprasad, N.; Gowda, Ramakrishna; Gowda, K.V. Arjuna; Basanagouda, Mahantesha","2-(4,6-Dimethyl-1-benzofuran-3-yl)acetic acid","IUCrData","2016","1","7","x161032","","10.1107/S2414314616010324","","","0.71073","MoKα","","0.0594","0.0432","","","0.1145","0.1288","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543656","13.1617","0.0006","14.1804","0.0004","7.4923","0.0003","90","","98.758","0.002","90","","1382.04","0.09","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methylpyridinium 2-carboxy-6-nitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","IS4010","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Methylpyridinium 2-carboxy-6-nitrobenzoate","IUCrData","2016","1","7","x161104","","10.1107/S2414314616011044","","","0.71073","MoKα","","0.0972","0.0587","","","0.1373","0.1632","","","","","","1.084","","","","has coordinates,has Fobs","184423","2020-10-21","18:00:00",""
"1543657","6.8692","0.0012","12.221","0.002","11.7933","0.0019","90","","105.726","0.005","90","","953","0.3","302","2","302","2","","","","","","","","3","P 1 21 1","P 2yb","4","","11β-Hydroxymedroxyprogesterone","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","ZL4009","Yusop, Sharifah Nurfazilah Wan; Sultan, Sadia; Yamin, Bohari M.; Shah, Syed Adnan Ali; Naz, Humera","11β-Hydroxymedroxyprogesterone","IUCrData","2016","1","7","x161075","","10.1107/S2414314616010750","","","0.71073","MoKα","","0.0664","0.0535","","","0.1144","0.122","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543658","8.0636","0.0007","8.4278","0.0007","17.2516","0.0014","90","","91.82","0.002","90","","1171.8","0.17","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","","- C20 H16 Br4 Cu2 N4 O4 -","- C20 H16 Br4 Cu2 N4 O4 -","- C40 H32 Br8 Cu4 N8 O8 -","2","0.5","","Rodriguez-Santiago, Alan J; Acosta, Carlos; Raptis, Raphael G.","Di-μ-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","IUCrData","2016","1","7","x161029","","10.1107/S2414314616010294","","","0.71073","MoKα","","0.0645","0.0465","","","0.1003","0.106","","","","","","1.163","","","","has coordinates,has Fobs","184425","2020-10-21","18:00:00",""
"1543659","27.471","0.003","7.423","0.0006","31.425","0.003","90","","108.428","0.003","90","","6079.5","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis[μ-4-(4-carboxyphenoxy)benzoato](μ-4,4'-oxydibenzoato)bis[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1<i>H</i>-1,2,4-triazole]dicadmium(II)]","","- C66 H44 Cd2 N10 O15 -","- C66 H44 Cd2 N10 O15 -","- C264 H176 Cd8 N40 O60 -","4","0.5","","Qi, Xiao-Jin; Yuan, Bing-Nian; Zhang, Kang-Long","Poly[bis[μ-4-(4-carboxyphenoxy)benzoato](μ-4,4'-oxydibenzoato)bis[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1<i>H</i>-1,2,4-triazole]dicadmium(II)]","IUCrData","2016","1","7","x161092","","10.1107/S2414314616010920","","","0.71073","MoKα","","0.0767","0.0467","","","0.0966","0.1074","","","","","","1.043","","","","has coordinates,has Fobs","184426","2020-10-21","18:00:00",""
"1543660","8.3253","0.0004","9.5065","0.0005","9.5909","0.0005","85.526","0.003","70.885","0.003","78.863","0.003","703.62","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-methylpyridinium 2-(3-methylphenyl)acetate","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","VM4010","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 2-(3-methylphenyl)acetate","IUCrData","2016","1","7","x161098","","10.1107/S2414314616010981","","","0.71073","MoKα","","0.0959","0.0498","","","0.1212","0.1495","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543661","12.8062","0.0018","5.4759","0.0008","15.84","0.002","90","","92.709","0.004","90","","1109.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1<i>H</i>-Benzo[<i>d</i>]imidazol-3-ium (<i>Z</i>)-3-carboxyprop-2-enoate","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","SJ4052","Amudha, M.; Gunasekaran, B.; Kumar, P. Praveen; Chakkaravarthi, G.","1<i>H</i>-Benzo[<i>d</i>]imidazol-3-ium (<i>Z</i>)-3-carboxyprop-2-enoate","IUCrData","2016","1","7","x161025","","10.1107/S2414314616010257","","","0.71073","MoKα","","0.0857","0.0439","","","0.0999","0.118","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543662","11.145","0.003","9.878","0.002","18.355","0.004","90","","93.952","0.007","90","","2015.9","0.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-benzyl-2-(3-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","","- C23 H19 Cl N2 O2 -","- C23 H19 Cl N2 O2 -","- C92 H76 Cl4 N8 O8 -","4","1","HB4064","Kumar, S. Madan; Manasa, D.; Kumar, Vasantha; Poojary, Boja; Byrappa, K.; Abdoh, M. M. M.","Ethyl 1-benzyl-2-(3-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","IUCrData","2016","1","7","x161068","","10.1107/S2414314616010683","","","0.71075","MoKα","","0.159","0.0776","","","0.1536","0.1846","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543663","11.1721","0.0007","8.1249","0.0005","28.8799","0.0018","90","","100.213","0.001","90","","2580","0.3","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Poly[[tetramethanolbis[4-oxo-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-6-olato]disodium]–diethyl ether–methanol (1/1/2)]","","- C21 H24 Cl3 N5 Na O5.5 -","- C21 H24 Cl3 N5 Na O5.5 -","- C84 H96 Cl12 N20 Na4 O22 -","4","1","","Abu Thaher, Bassam; Schollmeyer, Dieter; Laufer, Stefan","Poly[[tetramethanolbis[4-oxo-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-6-olato]disodium]–diethyl ether–methanol (1/1/2)]","IUCrData","2016","1","7","x161081","","10.1107/S2414314616010816","","","0.71073","MoKα","","0.066","0.0554","","","0.126","0.1305","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543670","5.232","0.0004","9.9727","0.0009","19.99","0.0018","90","","97.5196","0.0018","90","","1034.05","0.15","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Hydroxybenzylidene)-4-methylthiosemicarbazide","","- C9 H11 N3 O S -","- C9 H11 N3 O S -","- C36 H44 N12 O4 S4 -","4","1","HG4008","Kassim, Karimah; Hashim, Nor Zakiah Nor; M.Yamin, Bohari; Zaki, Hamizah Mohd","(<i>E</i>)-1-(4-Hydroxybenzylidene)-4-methylthiosemicarbazide","IUCrData","2016","1","7","x161048","","10.1107/S2414314616010488","","","0.71073","MoKα","","0.068","0.048","","","0.1164","0.1295","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543671","18.4827","0.0012","9.8467","0.0006","22.0681","0.0015","90","","90","","90","","4016.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","","- C24 H18 F N3 O2 -","- C23.9999 H17.9995 F N3 O2 -","- C191.999 H143.996 F8 N24 O16 -","8","1","","Madan Kumar, S.; Vasantha, Kumar; Boja, Poojary; Byrappa, K.; Warad, Ismail","Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","IUCrData","2016","1","7","x161124","","10.1107/S241431461601124X","","","0.71075","MoKα","","0.1097","0.0587","","","0.1059","0.1214","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","184488","2020-10-21","18:00:00",""
"1543672","7.0564","0.0004","7.8593","0.0005","24.1907","0.0018","90","","90","","90","","1341.58","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 4-methylbenzenesulfonate","","- C11 H15 N3 O4 S -","- C11 H15 N3 O4 S -","- C44 H60 N12 O16 S4 -","4","1","SU4059","Thayanithi, V.; Kumar, P. Praveen; Chakkaravarthi, G.","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 4-methylbenzenesulfonate","IUCrData","2016","1","7","x161125","","10.1107/S2414314616011251","","","0.71073","MoKα","","0.0514","0.0411","","","0.1028","0.11","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543673","7.915","0.007","12.1641","0.001","17.255","0.014","69.51","0.02","79.5","0.02","82.93","0.03","1527","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[2-(1,3-Dioxoisoindolin-2-yl)-1,3-thiazol-4-yl]benzonitrile","","- C18 H9 N3 O2 S -","- C18 H9 N3 O2 S -","- C72 H36 N12 O8 S4 -","4","2","ZP4007","Saravanan, K.; Divakar, S.; Elancheran, R.; Kabilan, S.; Selvanayagam, S.","4-[2-(1,3-Dioxoisoindolin-2-yl)-1,3-thiazol-4-yl]benzonitrile","IUCrData","2016","1","7","x161117","","10.1107/S2414314616011172","","","0.71073","MoKα","","0.0944","0.0584","","","0.1545","0.1827","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543674","7.514","0.0002","10.3737","0.0003","17.8484","0.0005","90","","90","","90","","1391.25","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Allyl-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-indazole","","- C16 H17 N3 -","- C16 H17 N3 -","- C64 H68 N12 -","4","1","SU4060","El Ghozlani, Mohamed; Rais, Adiba; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","1-Allyl-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-indazole","IUCrData","2016","1","7","x161121","","10.1107/S2414314616011214","","","0.71073","MoKα","","0.078","0.0446","","","0.0967","0.1128","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543675","9.3621","0.0002","11.3559","0.0002","15.192","0.0003","90","","98.0838","0.0018","90","","1599.09","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,7,12,14-Tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-diol dimethylformamide disolvate","","- C40 H36 N2 O4 -","- C40 H36 N2 O4 -","- C80 H72 N4 O8 -","2","0.5","ZL4010","Nozari, Mohammad; Kaur, Manpreet; Jasinski, Jerry P.; Addison, Anthony W.; Arabi Shamsabadi, Ahmad; Soroush, Masoud","5,7,12,14-Tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-diol dimethylformamide disolvate","IUCrData","2016","1","7","x161130","","10.1107/S2414314616011305","","","1.54184","CuKα","","0.0559","0.0511","","","0.1379","0.1438","","","","","","1.035","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543682","13.9118","0.0003","10.37486","0.00019","20.6696","0.0004","90","","103.929","0.0007","90","","2895.58","0.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>S</i>-hexyl 3-(thiophen-2-ylmethylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","","- C24 H34 N4 Pd S6 -","- C24 H34 N4 Pd S6 -","- C96 H136 N16 Pd4 S24 -","4","1","","Begum, K.; Sheikh, M. C.; Miyatake, R.; Zangrando, E.; Begum, M. S.","Bis[<i>S</i>-hexyl 3-(thiophen-2-ylmethylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","IUCrData","2016","1","7","x161132","","10.1107/S2414314616011329","","","0.71075","MoKα","","","0.0206","","","","0.0554","","","","","","1.079","","","","has coordinates,has Fobs","184533","2020-10-21","18:00:00",""
"1543683","12.4679","0.0012","11.9467","0.0011","9.5278","0.0008","90","","95.701","0.007","90","","1412.1","0.2","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","","- C10 H7 Cl3 N4 O S2 -","- C10 H7 Cl3 N4 O S2 -","- C40 H28 Cl12 N16 O4 S8 -","4","1","SU4061","Madan Kumar, S.; Madhu Kumar, D. J.; Shivakumar, H. P.; Jagadeesha Prasad, D.; Byrappa, K.; Abdoh, M. M. M.","2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","IUCrData","2016","1","7","x161123","","10.1107/S2414314616011238","","","0.71075","MoKα","","0.0757","0.0507","","","0.1177","0.1283","","","","","","1.094","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543684","12.2526","0.0008","6.6872","0.0003","16.6376","0.0012","90","","103.836","0.004","90","","1323.66","0.14","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-3-methylpyridinium 4-methoxybenzoate","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","SU4062","Sivakumar, P.; Devi, R. Niranjana; Israel, S.; Chakkaravarthi, G.","2-Amino-3-methylpyridinium 4-methoxybenzoate","IUCrData","2016","1","7","x161126","","10.1107/S2414314616011263","","","0.71073","MoKα","","0.1069","0.0531","","","0.1213","0.1506","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543726","9.33","0.006","18.724","0.004","13.484","0.003","90","","102.898","0.008","90","","2296.2","1.6","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-[(azidocarbonyl)amino]benzoate","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C80 H80 N32 O24 -","8","1","HB4066","Yassine, Hasna; Hafid, Abderrafia; Khouili, Mostafa; Mentre, Olivier; Ketatni, El Mostafa","Ethyl 2-[(azidocarbonyl)amino]benzoate","IUCrData","2016","1","7","x161155","","10.1107/S241431461601155X","","","0.71073","MoKα","","0.0975","0.0425","","","0.0873","0.0963","","","","","","1.61","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543727","10.113","0.008","13.278","0.01","12.224","0.01","90","","102.219","0.015","90","","1604","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C17 H12 Cl2 N2 O2 -","- C17 H12 Cl2 N2 O2 -","- C68 H48 Cl8 N8 O8 -","4","1","VM4011","Kumar, S. Madan; Manju, N.; Asma; Kalluraya, Balakrishna; Byrappa, K.; Warad, Ismail","5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","IUCrData","2016","1","7","x161111","","10.1107/S2414314616011111","","","0.71075","MoKα","","0.1142","0.0724","","","0.1496","0.182","","","","","","1.207","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543728","10.2857","0.0012","14.325","0.0017","17.794","0.002","71.528","0.001","79.919","0.001","72.784","0.001","2365.7","0.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","Diaquabis[<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(isonicotinamide)-κ<i>N</i>]bis(hydrogen phthalato-κ<i>O</i>)nickel(II) hexahydrate","","- C44 H54 N8 Ni O20 -","- C44 H54 N8 Ni O20 -","- C88 H108 N16 Ni2 O40 -","2","1","WM4020","Beard, Torél; LaDuca, Robert L.","Diaquabis[<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(isonicotinamide)-κ<i>N</i>]bis(hydrogen phthalato-κ<i>O</i>)nickel(II) hexahydrate","IUCrData","2016","1","7","x161167","","10.1107/S2414314616011676","","","0.71073","MoKα","","0.0571","0.0427","","","0.1042","0.1145","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543729","8.4132","0.0014","8.487","0.0014","16.67","0.003","83.56","0.002","85.919","0.002","62.599","0.002","1049.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(4<i>E</i>)-1-Decyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C22 H32 N2 O2 -","- C22 H32 N2 O2 -","- C44 H64 N4 O4 -","2","1","BH4008","Sebhaoui, Jihad; Zang Ondo, Cherryl Mirabelle; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(4<i>E</i>)-1-Decyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","7","x161174","","10.1107/S2414314616011743","","","0.71073","MoKα","","0.0717","0.0472","","","0.1194","0.1359","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543730","10.144","0.002","16.276","0.003","10.491","0.002","90","","101.27","0.03","90","","1698.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-Difluoro-3-phenyl-9-(pyridin-2-yl)-1<i>H</i>-1λ^4^,11λ^4^-1,3,5,2-oxadiazaborinino[3,4-<i>a</i>][1,8]naphthyridine","","- C20 H13 B F2 N4 O -","- C20 H13 B F2 N4 O -","- C80 H52 B4 F8 N16 O4 -","4","1","","Wang, Bang Zhong; Zhou, Yong; Zhou, Jun Ping; Luo, Jian Song; Chi, Shao Ming","1,1-Difluoro-3-phenyl-9-(pyridin-2-yl)-1<i>H</i>-1λ^4^,11λ^4^-1,3,5,2-oxadiazaborinino[3,4-<i>a</i>][1,8]naphthyridine","IUCrData","2016","1","7","x161129","","10.1107/S2414314616011299","","","0.71073","MoKα","","0.1218","0.0691","","","0.2002","0.233","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543736","8.199","0.002","7.653","0.002","8.986","0.003","90","","104.005","0.003","90","","547.1","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hexacyclo[7.5.1.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane-7,15-dione","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Kotha, Sambasivarao; Bandi, Vijayalakshmi; Gunta, Rama; Gaddamedi, Sreevani","Hexacyclo[7.5.1.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane-7,15-dione","IUCrData","2016","1","7","x161173","","10.1107/S2414314616011731","","","0.71075","MoKα","","","0.0419","","","","0.0856","","","","","","0.852","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543737","21.231","0.003","10.8714","0.0014","14.589","0.004","90","","128.524","0.003","90","","2634.4","0.9","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(4-Fluorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","","- C13 H15 F N2 S -","- C13 H15 F N2 S -","- C104 H120 F8 N16 S8 -","8","1","LH4008","Kadir, Aisyah; Abd Malek, Normyzatul Akmal; Mohd Zaki, Hamizah; Hasbullah, Siti Aishah; Yamin, Bohari M.","1-(4-Fluorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","IUCrData","2016","1","7","x161189","","10.1107/S2414314616011895","","","0.71073","MoKα","","0.0497","0.039","","","0.0913","0.1017","","","","","","1.1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543738","7.49","0.002","18.968","0.006","28.635","0.009","90","","90","","90","","4068","2","110.15","","110.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole","8-Butyl-8-(2-methyl-1<i>H</i>-inden-1-yl)-8-silatricyclo[7.4.0.0^2,3^]trideca-1(13),2,4,6,9,11-hexaene","","- C26 H26 Si -","- C26 H26 Si -","- C208 H208 Si8 -","8","1","XU4011","Medvedev, Michael G.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole","IUCrData","2016","1","7","x161151","","10.1107/S2414314616011512","","","0.71073","MoKα","","0.1154","0.0565","","","0.1305","0.1477","","","","","","0.855","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543739","12.4962","0.0012","12.8055","0.001","17.6834","0.0017","90","","92.82","0.003","90","","2826.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-(5-Bromo-1<i>H</i>-indol-3-yl)-4-(4-bromophenyl)-5-(4-chlorobenzoyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","","- C28 H20 Br2 Cl N3 O2 S -","- C28 H20 Br2 Cl N3 O2 S -","- C112 H80 Br8 Cl4 N12 O8 S4 -","4","1","SU4063","AaminaNaaz, Y.; Kamalraja, Jayabal; Vimala, G.; Perumal, Paramasivam T.; SubbiahPandi, A.","2-(5-Bromo-1<i>H</i>-indol-3-yl)-4-(4-bromophenyl)-5-(4-chlorobenzoyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","IUCrData","2016","1","7","x161197","","10.1107/S2414314616011974","","","0.71073","MoKα","","0.1261","0.0698","","","0.0953","0.1069","","","","","","1.148","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543740","4.9667","0.0006","23.701","0.003","7.1113","0.0008","90","","104.189","0.004","90","","811.57","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide)","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","","Mohamooda Sumaya, U.; Reuben Jonathan, D.; Dravida Thendral, E. R. A.; Revathi, B. K.; Usha, G.","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide)","IUCrData","2016","1","7","x161190","","10.1107/S2414314616011901","","","0.71073","MoKα","","0.0735","0.0641","","","0.1512","0.1561","","","","","","1.168","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543752","7.5774","0.0015","13.244","0.003","13.488","0.003","90","","97.157","0.007","90","","1343","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C56 H44 Cl8 N4 O8 -","4","1","VM4012","Yeshwanthkumar, H. S.; Nagendra, P.; Siddaraju, B. P.; Chaluvaraju, K. C.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.","4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene","IUCrData","2016","1","7","x161204","","10.1107/S2414314616012049","","","0.71075","MoKα","","0.0972","0.0602","","","0.1266","0.1439","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543753","9.6138","0.0002","8.8891","0.0002","11.7292","0.0003","90","","97.127","0.001","90","","994.61","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3<i>S</i>,4<i>S</i>)-4-Phenyl-1,5-bis(prop-2-en-1-yl)-3-(prop-2-en-1-yloxy)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","XU4010","Rida, Mohammed; El Bakri, Youness; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","(3<i>S</i>,4<i>S</i>)-4-Phenyl-1,5-bis(prop-2-en-1-yl)-3-(prop-2-en-1-yloxy)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","7","x161175","","10.1107/S2414314616011755","","","1.54178","CuKα","","0.0312","0.0296","","","0.0733","0.0749","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543755","6.238","0.002","7.234","0.003","10.887","0.004","103.331","0.015","92.329","0.016","113.846","0.015","432.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6-Methyl-7<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-thione","","- C6 H7 N5 S -","- C6 H7 N5 S -","- C12 H14 N10 S2 -","2","1","TK4020","El Bakri, Youness; Harmaoui, Abdallah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","6-Methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-thione","IUCrData","2016","1","8","x161229","","10.1107/S2414314616012293","","","0.71073","MoKα","","0.0443","0.0394","","","0.1145","0.1194","","","","","","1.073","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543777","13.5461","0.0015","7.7453","0.0009","19.625","0.002","90","","101.486","0.004","90","","2017.8","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-amino-6-methylpyridinium) 3-nitrobenzene-1,2-dicarboxylate","","- C20 H21 N5 O6 -","- C20 H21 N5 O6 -","- C80 H84 N20 O24 -","4","1","VM4013","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","Bis(2-amino-6-methylpyridinium) 3-nitrobenzene-1,2-dicarboxylate","IUCrData","2016","1","8","x161233","","10.1107/S2414314616012335","","","0.71073","MoKα","","0.0593","0.0416","","","0.1082","0.1225","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543778","7.5436","0.0003","15.6498","0.0006","10.9701","0.0004","90","","108.334","0.001","90","","1229.34","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(7<i>R</i>)-6-Methyl-7,9-bis(prop-2-yn-1-yl)-7<i>H</i>,8<i>H</i>,9<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C48 H44 N20 O4 -","4","1","BH4010","El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","(7<i>R</i>)-6-Methyl-7,9-bis(prop-2-yn-1-yl)-7<i>H</i>,8<i>H</i>,9<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","IUCrData","2016","1","8","x161245","","10.1107/S2414314616012451","","","0.71073","MoKα","","0.056","0.0466","","","0.1343","0.1427","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1543875","19.7608","0.0006","12.4156","0.0004","5.0776","0.0002","90","","90","","90","","1245.75","0.07","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide","","- C12 H9 Br F N O2 S -","- C12 H9 Br F N O2 S -","- C48 H36 Br4 F4 N4 O8 S4 -","4","1","LH4010","Rodrigues, Vinola Z.; Suchetan, P. A.; Saritha, L.; Lokanath, N. K.; Naveen, S.","4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide","IUCrData","2016","1","8","x161256","","10.1107/S2414314616012566","","","1.54178","CuKα","","0.0346","0.0334","","","0.0823","0.0833","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543876","9.743","0.0005","8.6535","0.0003","12.3173","0.0006","90","","111.67","0.004","90","","965.09","0.08","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[dihydrobis(pyrazol-1-yl-κ<i>N</i>^2^)borato]bis(methanol-κ<i>O</i>)iron(II)","","- C14 H24 B2 Fe N8 O2 -","- C14 H24 B2 Fe N8 O2 -","- C28 H48 B4 Fe2 N16 O4 -","2","0.5","BT4021","Ossinger, Sascha; Näther, Christian; Tuczek, Felix","Bis[dihydrobis(pyrazol-1-yl-κN2)borato]bis(methanol-κO)iron(II)","IUCrData","2016","1","8","x161252","","10.1107/S2414314616012529","","","0.71073","MoKα","","0.0385","0.0339","","","0.0867","0.0892","","","","","","1.072","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543877","8.4549","0.0006","14.7691","0.001","16.3607","0.0009","90","","90","","90","","2043","0.2","297","1","297","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(-)-Sparteinium tetrachloridozincate monohydrate","(-)-7,15-Diazatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadecane-7,15-diium tetrachloridozincate monohydrate","","- C15 H30 Cl4 N2 O Zn -","- C15 H30 Cl4 N2 O Zn -","- C60 H120 Cl16 N8 O4 Zn4 -","4","1","WM4021","Bernès, Sylvain; Gutiérrez, René; Hernández-Téllez, Guadalupe; Moreno, Gloria E.","({-})-Sparteinium tetrachloridozincate monohydrate","IUCrData","2016","1","8","x161237","","10.1107/S2414314616012372","","","0.71073","MoKα","","0.0304","0.0265","","","0.0659","0.0679","","","","","","1.05","","","","has coordinates,has Fobs","185719","2020-10-21","18:00:00",""
"1543878","27.3649","0.0009","9.496","0.0003","10.0932","0.0003","90","","97.371","0.003","90","","2601.12","0.14","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(Pyrazin-2-yl)adamantane-1-carboxamide","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C120 H152 N24 O8 -","8","1","BT4022","Dziuk, Błażej; Ośmiałowski, Borys; Ejsmont, Krzysztof; Zarychta, Bartosz","<i>N</i>-(Pyrazin-2-yl)adamantane-1-carboxamide","IUCrData","2016","1","8","x161258","","10.1107/S241431461601258X","","","0.71073","MoKα","","0.0399","0.0318","","","0.0803","0.0821","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543884","7.5362","0.0002","15.1084","0.0004","14.5384","0.0004","90","","90","","90","","1655.34","0.08","102","2","102","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Tetra[dimethyloxyboryl]methane","Octamethyl methanetetrayltetraboronate","","- C9 H24 B4 O8 -","- C9 H24 B4 O8 -","- C36 H96 B16 O32 -","4","0.5","RZ4004","Liu, Sumeng; Girolami, Gregory S.","Tetrakis(dimethoxyboryl)methane","IUCrData","2016","1","8","x161264","","10.1107/S2414314616012645","","","1.54178","CuKα","","0.0397","0.037","","","0.0978","0.0998","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1543885","4.7764","0.001","11.75","0.003","13.067","0.003","109.917","0.01","99.766","0.011","101.71","0.01","652","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-3-Allyl-5-(4-fluorobenzylidene)-2-sulfanylidenethiazolidin-4-one","","- C13 H10 F N O S2 -","- C13 H10 F N O S2 -","- C26 H20 F2 N2 O2 S4 -","2","1","BT4020","El Ajlaoui, Rahhal; Belkhouya, Najat; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","(<i>Z</i>)-3-Allyl-5-(4-fluorobenzylidene)-2-sulfanylidenethiazolidin-4-one","IUCrData","2016","1","8","x161236","","10.1107/S2414314616012360","","","0.71073","MoKα","","0.0733","0.0496","","","0.1262","0.1475","","","","","","1.066","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543886","12.5891","0.0004","7.7739","0.0002","14.124","0.0004","90","","100.466","0.001","90","","1359.27","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(2-Hydroxy-5-methoxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Bargavi, Srinivasan; Nataraj, Poomathi; Perumal, Paramasivam T.; Lakshmi, Srinivasakannan","5-(2-Hydroxy-5-methoxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","IUCrData","2016","1","8","x161235","","10.1107/S2414314616012359","","","0.71073","MoKα","","0.0483","0.0409","","","0.11","0.1158","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","185790","2020-10-21","18:00:00",""
"1543887","17.5105","0.0015","7.7068","0.0007","10.6885","0.0013","90","","107.553","0.001","90","","1375.3","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1'-Biphenyl-2,2',5,5'-tetracarboxylic acid","","- C16 H10 O8 -","- C16 H10 O8 -","- C64 H40 O32 -","4","0.5","ZL4011","Li, Yan-Hong; Lu, Li-Ping","1,1'-Biphenyl-2,2',5,5'-tetracarboxylic acid","IUCrData","2016","1","8","x161274","","10.1107/S2414314616012748","","","0.71073","MoKα","","0.047","0.0353","","","0.09","0.0986","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543888","9.3289","0.001","9.9031","0.001","9.8984","0.0012","90","","97.221","0.011","90","","907.21","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide","","- C20 H16 N4 O2 S -","- C20 H16 N4 O2 S -","- C40 H32 N8 O4 S2 -","2","1","","Sharma, Devinder K.; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni","<i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide","IUCrData","2016","1","8","x161276","","10.1107/S2414314616012761","","","0.71073","MoKα","","0.0773","0.0544","","","0.117","0.1366","","","","","","0.984","","","","has coordinates,has Fobs","185792","2020-10-21","18:00:00",""
"1543889","5.263","0.003","9.782","0.005","12.795","0.006","78.591","0.009","80.188","0.007","74.418","0.01","617.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-<i>N</i>-(isoquinolin-3-yl)butanamide","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","BT4019","Loganathan, C.; Ananad, S. Athavan Alias; Alphonsa, A. Therasa; Kabilan, S.; Selvanayagam, S.","4-Chloro-<i>N</i>-(isoquinolin-3-yl)butanamide","IUCrData","2016","1","8","x161290","","10.1107/S2414314616012906","","","0.71073","MoKα","","0.1134","0.0688","","","0.1786","0.2273","","","","","","1.011","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543890","7.9359","0.0003","9.6283","0.0004","9.6807","0.0005","88.01","0.003","74.936","0.002","81.561","0.002","706.54","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-methylpyridinium 2-(4-nitrophenyl)acetate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","HB4061","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 2-(4-nitrophenyl)acetate","IUCrData","2016","1","8","x161203","","10.1107/S2414314616012037","","","0.71073","MoKα","","0.0924","0.0524","","","0.1209","0.144","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543901","16.442","0.011","10.991","0.007","11.722","0.008","90","","108.611","0.007","90","","2008","2","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tris(4-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(4-methoxyphenyl)phosphine selenide","IUCrData","2016","1","8","x161271","","10.1107/S2414314616012712","","","0.71075","MoKα","","0.0384","0.0328","","","0.0608","0.0649","","","","","","0.915","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543902","10.4487","0.0008","16.8817","0.0013","17.3829","0.0014","90","","90","","90","","3066.2","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Biphenyl-2,2'-diyl)[1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II)","","- C39 H34 P2 Pt -","- C39 H34 P2 Pt -","- C156 H136 P8 Pt4 -","4","1","WM4022","Rillema, D. Paul; Moore, Curtis; Jehan, Ali","(Biphenyl-2,2'-diyl)[1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II)","IUCrData","2016","1","8","x161277","","10.1107/S2414314616012773","","","0.71073","MoKα","","0.0172","0.0162","","","0.0346","0.0349","","","","","","1.039","","","","has coordinates,has Fobs","185844","2020-10-21","18:00:00",""
"1543903","4.2926","0.0004","17.7983","0.0013","14.8522","0.0013","90","","94.757","0.004","90","","1130.81","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one","","- C15 H10 F2 O -","- C15 H10 F2 O -","- C60 H40 F8 O4 -","4","1","SU4068","Santos de Barros, Leonardo; Ramalho Freitas, Maria Clara; Rangel Campos, Vinícius; Assis da Silva, Francisco; Netto-Ferreira, José Carlos; Cesarin-Sobrinho, Darí","(<i>E</i>)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one","IUCrData","2016","1","8","x161295","","10.1107/S2414314616012955","","","0.71073","MoKα","","0.0677","0.048","","","0.1224","0.1361","","","","","","1.066","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543904","4.9685","0.0001","18.8795","0.0005","8.2913","0.0002","90","","91.448","0.002","90","","777.5","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2-Amino-thiazol-4-yl)-aceticacidhydrazide","2-(2-Amino-1,3-thiazol-4-yl)acetohydrazide","","- C5 H8 N4 O S -","- C5 H8 N4 O S -","- C20 H32 N16 O4 S4 -","4","1","HB4068","Pallavi, G. B.; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha; Latha, A. L.","2-(2-Amino-1,3-thiazol-4-yl)acetohydrazide","IUCrData","2016","1","8","x161273","","10.1107/S2414314616012736","","","0.71073","MoKα","","0.0322","0.0299","","","0.0769","0.0788","","","","","","1.0937","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543940","12.383","0.006","13.145","0.006","26.51","0.011","90","","90","","90","","4315","3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triethylammonium) tetrabromidozincate","","- C12 H32 Br4 N2 Zn -","- C12 H32 Br4 N2 Zn -","- C96 H256 Br32 N16 Zn8 -","8","1","","Seck, Gorgui Awa; Sene, Aboubacary; Diop, Libasse; Schmidt, Horst","Bis(triethylammonium) tetrabromidozincate","IUCrData","2016","1","8","x161317","","10.1107/S2414314616013171","","","0.71073","MoKα","","0.0401","0.0238","","","0.0435","0.0453","","","","","","1.022","","","","has coordinates,has Fobs","185908","2020-10-21","18:00:00",""
"1543980","11.9289","0.0007","13.2908","0.0006","11.5","0.0006","90","","111.497","0.007","90","","1696.43","0.17","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)octanediamide","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C72 H88 N16 O8 -","4","0.5","HB4070","Dziuk, Błażej; Ośmiałowski, Borys; Ejsmont, Krzysztof; Zarychta, Bartosz","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)octanediamide","IUCrData","2016","1","8","x161309","","10.1107/S2414314616013092","","","0.71073","MoKα","","0.0464","0.0315","","","0.0698","0.0729","","","","","","0.946","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543981","20.3301","0.001","17.4558","0.0006","20.5691","0.0011","90","","119.399","0.007","90","","6359.5","0.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(18-Crown-6-κ^6^<i>O</i>){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^]azanido-κ<i>N</i>}potassium(I)","","- C23 H46 K N3 O6 Si2 -","- C23 H46 K N3 O6 Si2 -","- C184 H368 K8 N24 O48 Si16 -","8","1","BH4011","Toney, Sydney E.; Hillesheim, Patrick C.; Guillet, Gary L.","(18-Crown-6-κ^6^<i>O</i>){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^]azanido-κ<i>N</i>}potassium(I)","IUCrData","2016","1","8","x161338","","10.1107/S2414314616013389","","","0.71073","MoKα","","0.0753","0.0573","","","0.1304","0.1404","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1543982","8.7638","0.0002","9.2286","0.0002","16.7192","0.0003","89.402","0.001","88.904","0.001","76.121","0.001","1312.47","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(η^2^,η^2^-cycloocta-1,5-diene)[2-(diphenylphosphanylmethyl)pyridine-κ^2^<i>N</i>,<i>P</i>]rhodium(I) tetrafluoridoborate 1,2-dichloroethane monosolvate","","- C26 H28 B F4 N P Rh -","- C26 H28 B F4 N P Rh -","- C52 H56 B2 F8 N2 P2 Rh2 -","2","1","BT4024","Wei, Siping; Möller, Saskia; Heller, Detlef; Drexler, Hans-Joachim","(η^2^,η^2^-Cycloocta-1,5-diene)[2-(diphenylphosphanylmethyl)pyridine-κ^2^<i>N</i>,<i>P</i>]rhodium(I) tetrafluoridoborate 1,2-dichloroethane monosolvate","IUCrData","2016","1","8","x161318","","10.1107/S2414314616013183","","","0.71073","MoKα","","0.0213","0.0205","","","0.0535","0.0539","","","","","","1.049","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543983","13.414","0.004","12.654","0.003","9.964","0.001","90","","101.43","0.02","90","","1657.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(methanol-κ<i>O</i>)bis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}cobalt(II)","","- C38 H32 Co N10 O2 -","- C38 H32 Co N10 O2 -","- C76 H64 Co2 N20 O4 -","2","0.5","","Peng, Zhen; Xia, Liang; Dong, Wen-Wen","Bis(methanol-κ<i>O</i>)bis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}cobalt(II)","IUCrData","2016","1","8","x161316","","10.1107/S241431461601316X","","","0.71073","MoKα","","0.1019","0.074","","","0.1744","0.1928","","","","","","1.004","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543984","11.6245","0.0007","6.913","0.0004","13.7792","0.001","90","","106.591","0.002","90","","1061.2","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-Methyl-10<i>H</i>-phenothiazine","","- C13 H11 N S -","- C13 H11 N S -","- C52 H44 N4 S4 -","4","1","BT4023","Malikireddy, Parvathi; Siddan, Gouthaman; Madurai, Sugunalakshmi; Chandramouleeswaran, Suvasini; Srinivasakannan, Lakshmi","10-Methyl-10<i>H</i>-phenothiazine","IUCrData","2016","1","8","x161299","","10.1107/S2414314616012992","","","0.71073","MoKα","","0.0451","0.0346","","","0.0825","0.0974","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543985","8.3687","0.0007","13.0913","0.001","12.6778","0.0011","90","","99.086","0.005","90","","1371.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(1<i>E</i>)-4-Hydroxy-3-methoxybenzylidene]isonicotinohydrazide monohydrate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","BV4002","Roopashree, K. R.; Inturi, Bharathkumar; Pujar, Gurubasavaraj V.; Prem Kumar, S. R.; Devarajegowda, H. C.","<i>N</i>'-[(1<i>E</i>)-4-Hydroxy-3-methoxybenzylidene]isonicotinohydrazide monohydrate","IUCrData","2016","1","8","x161300","","10.1107/S2414314616013006","","","1.54178","CuKα","","0.0539","0.0429","","","0.104","0.114","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543986","9.6719","0.0007","13.4005","0.0009","11.1874","0.0008","90","","112.994","0.002","90","","1334.77","0.16","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,3,5-Tetramethyl-1<i>H</i>-pyrazol-2-ium triiodide","","- C7 H13 I3 N2 -","- C7 H13 I3 N2 -","- C28 H52 I12 N8 -","4","1","HB4073","Oberparleiter, Stefan; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","1,2,3,5-Tetramethyl-1<i>H</i>-pyrazol-2-ium triiodide","IUCrData","2016","1","8","x161331","","10.1107/S2414314616013316","","","0.71073","MoKα","","0.0298","0.0255","","","0.0583","0.0619","","","","","","1.235","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543987","11.6972","0.0008","6.6637","0.0005","19.2325","0.0017","90","","103","0.002","90","","1460.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-3-methylpyridinium 3,4-dimethoxybenzoate","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","HB4072","Sivakumar, P.; Devi, R. Niranjana; Israel, S.; Chakkaravarthi, G.","2-Amino-3-methylpyridinium 3,4-dimethoxybenzoate","IUCrData","2016","1","8","x161332","","10.1107/S2414314616013328","","","0.71073","MoKα","","0.0861","0.0483","","","0.109","0.1281","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544028","8.9453","0.0006","24.8813","0.0017","17.3105","0.0011","90","","103.135","0.002","90","","3752","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Diphenyl-4-methoxybenzamidinium nitrate","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C160 H152 N24 O32 -","8","2","","Silva, Renata S.; Sena, Jonathan X.; Rodrigues-Santos, Claudio Eduardo; Echevarria, Aurea; Guedes, Guilherme P.; Herbst, Marcelo H.","<i>N</i>,<i>N</i>'-Diphenyl-4-methoxybenzamidinium nitrate","IUCrData","2016","1","9","x161392","","10.1107/S2414314616013924","","","0.71073","MoKα","","0.1157","0.0694","","","0.1756","0.2087","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544029","21.3428","0.0008","5.7635","0.0002","28.287","0.0011","90","","91.634","0.001","90","","3478.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(4-Aminophenyl)-3-[4-(benzyloxy)phenyl]prop-2-en-1-one","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C176 H152 N8 O16 -","8","2","","Hannah Clara, T.; Prasana, Johanan Christian; Reuben Jonathan, D.; Revathi, B. K.; Usha, G.","(<i>E</i>)-1-(4-Aminophenyl)-3-[4-(benzyloxy)phenyl]prop-2-en-1-one","IUCrData","2016","1","9","x161371","","10.1107/S2414314616013717","","","0.71073","MoKα","","0.1042","0.0491","","","0.1375","0.1914","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544030","8.717","0.003","16.325","0.005","21.043","0.007","90","","90","","90","","2994.5","1.7","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-[4-(9,17-Dithia[3.3]metacyclophane)]-1,3-butadiyne","Bis[3,11-dithiatricyclo[11.3.1.1^5,9^]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne","","- C36 H30 S4 -","- C36 H30 S4 -","- C144 H120 S16 -","4","0.5","HB4071","Moriguchi, Tetsuji; Yakeya, Daisuke; Jalli, Venkataprasad; Tsuge, Akihiko","Bis[3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne","IUCrData","2016","1","9","x161378","","10.1107/S241431461601378X","","","0.71073","MoKα","","0.0568","0.0433","","","0.1125","0.1298","","","","","","1.156","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544037","5.6873","0.0001","13.809","0.0003","29.7776","0.0006","90","","90","","90","","2338.61","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Allyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<i>D</i>-glucopyranoside","","- C23 H25 N O10 -","- C23 H25 N O10 -","- C92 H100 N4 O40 -","4","1","LH4012","Curran, Hannah; Zhang, Chenyao; Piro, Nicholas A.; Kassel, W. Scott; Giuliano, Robert M.","Allyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<small>D</small>-glucopyranoside","IUCrData","2016","1","8","x161363","","10.1107/S2414314616013638","","","0.71073","MoKα","","0.0505","0.0355","","","0.0703","0.077","","","","","","1.025","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544059","27.1174","0.0013","10.1914","0.0003","11.9292","0.0006","90","","94.075","0.004","90","","3288.5","0.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(2,4-Difluorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(<i>3H</i>)-one","","- C20 H11 F2 N5 O -","- C20 H11 F2 N5 O -","- C160 H88 F16 N40 O8 -","8","1","","Abu Thaher, Bassam; Schollmeyer, Dieter; Qeshta, Basem; Deigner, Hans-Peter","3-(2,4-Difluorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(<i>3H</i>)-one","IUCrData","2016","1","9","x161380","","10.1107/S2414314616013808","","","0.71073","MoKα","","0.056","0.0375","","","0.089","0.0983","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544060","15.9363","0.0008","15.9363","0.0008","16.8801","0.0008","90","","90","","90","","4287","0.4","100","","100","","","","","","","","","5","P -4 21 c","P -4 2n","114","","(η^5^-2,4-Dimethylcyclopenta[<i>b</i>]indolyl)(η^5^-pentamethylcyclopentadienyl)zirconium(IV) dichloride","","- C23 H27 Cl2 N Zr -","- C23 H27 Cl2 N Zr -","- C184 H216 Cl16 N8 Zr8 -","8","1","FF4008","Medvedev, Michael G.; Ryabov, Alexey N.; Uborsky, Dmitry V.; Kononovich, Dmitry S.; Izmer, Vyatcheslav V.; Voskoboynikov, Alexander Z.","(η5-2,4-Dimethylcyclopenta[b]indolyl)(η5-pentamethylcyclopentadienyl)zirconium(IV) dichloride","IUCrData","2016","1","9","x161408","","10.1107/S2414314616014085","","","0.71073","MoKα","","0.0452","0.0422","","","0.0951","0.0963","","","","","","1.11","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:36",""
"1544061","7.4207","0.0006","8.8159","0.0007","12.5246","0.001","86.873","0.003","87.735","0.003","77.166","0.003","797.39","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-(2-Azabicyclo[3.2.1]octa-3,6-dien-2-yl)-1,3-dimethoxyimidazolium hexafluoridophosphate","","- C12 H16 F6 N3 O2 P -","- C12 H16 F6 N3 O2 P -","- C24 H32 F12 N6 O4 P2 -","2","1","HB4076","Haslinger, Simone; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","2-(2-Azabicyclo[3.2.1]octa-3,6-dien-2-yl)-1,3-dimethoxyimidazolium hexafluoridophosphate","IUCrData","2016","1","9","x161410","","10.1107/S2414314616014103","","","0.71073","MoKα","","0.0627","0.0538","","","0.1178","0.1239","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544062","16.7541","0.0018","11.0261","0.0011","7.2064","0.0007","90","","90","","90","","1331.3","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Amino-4-methylpyridinium 4-methylbenzoate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","HB4078","Sivakumar, P.; Anzline, C.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-methylbenzoate","IUCrData","2016","1","9","x161411","","10.1107/S2414314616014115","","","0.71073","MoKα","","0.0584","0.0386","","","0.0867","0.1018","","","","","","1.108","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544072","21.4745","0.0008","7.4295","0.0002","26.173","0.0011","90","","127.366","0.002","90","","3318.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(dimethylformamide-1κ<i>O</i>)(ethanol-1κ<i>O</i>)(μ~5~-2,3,5,6-tetrafluorobenzenedicarboxylato-1:2κ^2^<i>O</i>;1:3κ^2^<i>O</i>';4κ<i>O</i>'';5κ<i>O</i>''')barium(II)]","","- C13 H13 Ba F4 N O6 -","- C13 H12 Ba F4 N O6 -","- C104 H96 Ba8 F32 N8 O48 -","8","2","WM4024","Smets, Daniel; Sobieray, Miriam; Ruschewitz, Uwe","A new alkaline earth metal tetrafluoroterephthalate: [Ba(tfBDC)(DMF)(EtOH)]","IUCrData","2016","1","9","x161409","","10.1107/S2414314616014097","","","0.71073","MoKα","","0.0536","0.0383","","","0.0919","0.0989","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","186547","2020-10-21","18:00:00",""
"1544073","13.069","0.001","9.1387","0.0006","11.3367","0.0009","90","","112.841","0.003","90","","1247.81","0.16","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methylpyridinium 4-hydroxybenzoate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","BT4025","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-hydroxybenzoate","IUCrData","2016","1","9","x161425","","10.1107/S2414314616014255","","","0.71073","MoKα","","0.1319","0.0686","","","0.1574","0.1985","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544074","12.14","0.001","19.298","0.0015","19.449","0.0016","90","","90","","90","","4556.5","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[2-(pyrrol-2-ylmethyleneamino)-2'-methoxy-6,6'-dimethyl-1,1'-biphenyl-κ^2^<i>N,N</i>']bis(dimethylamido-κ<i>N</i>)vanadium(IV) toluene monosolvate","","- C51 H58 N6 O2 V -","- C51 H58 N6 O2 V -","- C204 H232 N24 O8 V4 -","4","1","HG4012","Wang, Qiuwen; Xiong, Yihan; Deng, Xuebin","Bis[2-(pyrrol-2-ylmethyleneamino)-2'-methoxy-6,6'-dimethyl-1,1'-biphenyl-κ^2^<i>N,N</i>']bis(dimethylamido-κ<i>N</i>)vanadium(IV) toluene monosolvate","IUCrData","2016","1","9","x161421","","10.1107/S2414314616014218","","","1.54187","CuKα","","0.0329","0.0297","","","0.0656","0.0678","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544144","13.856","0.002","4.5401","0.0007","11.926","0.002","90","","111.173","0.005","90","","699.59","0.19","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-(4-Nitrophenyl)acetate 2-amino-4-methylpyridin-1-ium","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","BG4002","Sivakumar, P.; Anzline, C.; Israel, S.; Chakkaravarthi, G.","2-(4-Nitrophenyl)acetate 2-amino-4-methylpyridin-1-ium","IUCrData","2016","1","9","x161433","","10.1107/S2414314616014334","","","0.71073","MoKα","","0.0832","0.046","","","0.0843","0.1011","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544145","13.9972","0.0006","17.2985","0.0004","18.4787","0.0006","63.725","0.003","68.593","0.003","67.115","0.004","3594.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","<i>RS</i>-Efonidipine acetone hemisolvate","<i>RS</i>-2-(Phenyl-(phenylmethyl)amino)ethyl 5-(5,5-dimethyl-2-oxo-1,3-dioxa-2λ5-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-\ nitrophenyl)-1,4-dihydropyridine-3-carboxylate acetone hemisolvate","","- C35.5 H41 N3 O7.5 P -","- C35.5 H41 N3 O7.5 P -","- C142 H164 N12 O30 P4 -","4","2","XU4012","Liu, Yu-Heng; Li, Zhan-Jun; Li, Wen","(<i>RS</i>)-Efonidipine acetone hemisolvate","IUCrData","2016","1","9","x161432","","10.1107/S2414314616014322","","","1.54184","CuKα","","0.0686","0.0621","","","0.1883","0.1964","","","","","","1.053","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544146","9.78","0.003","17.698","0.005","15.819","0.004","90","","105.985","0.016","90","","2632.2","1.3","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Butyl 2-[(azidocarbonyl)amino]benzoate","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C96 H112 N32 O24 -","8","1","SJ4055","Yassine, Hasna; Khouili, Mostafa; Hafid, Abderrafia; Mentre, Olivier; Ketatni, El Mostafa","Butyl 2-[(azidocarbonyl)amino]benzoate","IUCrData","2016","1","9","x161454","","10.1107/S2414314616014541","","","0.71073","MoKα","","0.089","0.0445","","","0.1032","0.1173","","","","","","0.977","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544147","13.1126","0.0005","6.8916","0.0003","16.1831","0.0006","90","","90","","90","","1462.41","0.1","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline","","- C7 H7 F N2 O2 -","- C7 H7 F N2 O2 -","- C56 H56 F8 N16 O16 -","8","1","BT4026","Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław","4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline","IUCrData","2016","1","9","x161446","","10.1107/S2414314616014462","","","0.71073","MoKα","","0.0366","0.0302","","","0.0807","0.085","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544148","12.6615","0.0009","13.8008","0.0011","15.4039","0.0014","90","","111.225","0.002","90","","2509.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methylpyridinium 2-hydroxybenzoate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","HB4080","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 2-hydroxybenzoate","IUCrData","2016","1","9","x161443","","10.1107/S2414314616014437","","","0.71073","MoKα","","0.1185","0.0601","","","0.1251","0.1607","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544190","7.3989","0.0016","9.6247","0.001","17.483","0.002","90","","91.112","0.013","90","","1244.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,6-Bis(pyridin-2-yl)-2,3-dihydropyrazine","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Posel, Maciej; Stoeckli-Evans, Helen","5,6-Bis(pyridin-2-yl)-2,3-dihydropyrazine","IUCrData","2016","1","9","x161467","","10.1107/S241431461601467X","","","0.71069","MoKα","","0.0696","0.0398","","","0.0886","0.0997","","","","","","0.979","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544191","9.995","0.0007","10.1492","0.0005","11.262","0.0008","90.656","0.005","92.291","0.005","101.925","0.005","1116.66","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-amino-2-carbamoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-5-carboxylate dimethyl sulfoxide monosolvate","","- C21 H25 N3 O5 S2 -","- C21 H25 N3 O5 S2 -","- C42 H50 N6 O10 S4 -","2","1","HG4013","Bakhite, Etify A.; Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Albayati, Mustafa R.","Ethyl 3-amino-2-carbamoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-5-carboxylate dimethyl sulfoxide monosolvate","IUCrData","2016","1","9","x161474","","10.1107/S2414314616014747","","","1.54184","CuKα","","0.0543","0.049","","","0.1322","0.1393","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544192","5.1939","0.0011","8.0697","0.0017","9.1482","0.0015","106.819","0.019","96.077","0.018","92.804","0.018","363.69","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>,<i>N</i>'-(1,2-Dicyanoethene-1,2-diyl)dipicolinamide","","- C16 H10 N6 O2 -","- C16 H10 N6 O2 -","- C16 H10 N6 O2 -","1","0.5","","Posel, Maciej; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>,<i>N</i>'-(1,2-Dicyanoethene-1,2-diyl)dipicolinamide","IUCrData","2016","1","9","x161464","","10.1107/S2414314616014644","","","0.71073","MoKα","","0.0781","0.0728","","","0.1522","0.1551","","","","","","1.404","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544193","11.3333","0.0006","16.4178","0.0009","12.765","0.0006","90","","94.14","0.005","90","","2369","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Histamine perchlorate","4-(2-Azaniumylethyl)-1<i>H</i>-imidazol-3-ium bis(perchlorate)","","- C5 H11 Cl2 N3 O8 -","- C5 H11 Cl2 N3 O8 -","- C40 H88 Cl16 N24 O64 -","8","2","HG4015","Okeke, Ugochukwu; Gultneh, Yilma; Jasinski, Jerry P.; Butcher, Ray J.","Histamine perchlorate","IUCrData","2016","1","9","x161481","","10.1107/S2414314616014814","","","0.71073","MoKα","","0.0999","0.0628","","","0.1831","0.2185","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544194","7.6303","0.0002","9.3142","0.0003","17.2518","0.0005","90.339","0.002","99.468","0.002","99.556","0.003","1191.91","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Aminopyridinium 2,4-dinitrophenolate","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C44 H40 N16 O20 -","4","2","BH4014","Devi, S. Reena; Akilan, R.; Kumar, R. Mohan; Ganesh, T.; Chakkaravarthi, G.","2-Aminopyridinium 2,4-dinitrophenolate","IUCrData","2016","1","9","x161489","","10.1107/S2414314616014899","","","0.71073","MoKα","","0.1159","0.0512","","","0.1242","0.1566","","","","","","1.009","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544195","3.8639","0.001","13.933","0.004","15.019","0.004","90","","93.313","0.009","90","","807.2","0.4","120","2","120.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,7-Dichloro-1<i>H</i>-indole-2,3-dione","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","1","VM4014","Golen, James A.; Manke, David R.","4,7-Dichloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","9","x161485","","10.1107/S2414314616014851","","","0.71073","MoKα","","0.0278","0.0251","","","0.0596","0.0613","","","","","","1.078","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544212","19.6761","0.0011","7.233","0.0004","9.9258","0.0007","90","","90","","90","","1412.61","0.15","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylic acid <i>tert</i>-butyl ester","<i>tert</i>-Butyl 2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylate","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","0.5","BV4003","Jordon, Jason A.; Badenock, Jeanese C.; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P.","<i>tert</i>-Butyl 2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylate","IUCrData","2016","1","9","x161468","","10.1107/S2414314616014681","","","0.71073","MoKα","","0.0672","0.056","","","0.1389","0.1465","","","","","","1.105","","","","has coordinates,has Fobs","186802","2020-10-21","18:00:00",""
"1544213","6.6659","0.0004","7.4965","0.0005","34.7364","0.0017","90","","94.7132","0.0019","90","","1729.94","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{(1<i>E</i>,3<i>E</i>)-4-[4-(Dimethylamino)phenyl]buta-1,3-dien-1-yl}-1-methylpyridin-1-ium iodide","","- C18 H21 I N2 -","- C18 H21 I N2 -","- C72 H84 I4 N8 -","4","1","","John Sundaram, S.; Sagayaraj, P.; Antony Raj, A.; Dravida Thendral, E. R. A.; Usha, G.","4-{(1<i>E</i>,3<i>E</i>)-4-[4-(Dimethylamino)phenyl]buta-1,3-dien-1-yl}-1-methylpyridin-1-ium iodide","IUCrData","2016","1","9","x161463","","10.1107/S2414314616014632","","","0.71073","MoKα","","0.0431","0.0406","","","0.0788","0.0796","","","","","","1.33","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544214","8.2829","0.0002","13.8636","0.0004","15.1292","0.0004","72.328","0.001","74.922","0.001","87.252","0.001","1597.42","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","2","ZQ4012","Samba, Mohamed; Minnih, Mohamed Said; Ramli, Youssef; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","9","x161448","","10.1107/S2414314616014486","","","0.71073","MoKα","","0.0658","0.0472","","","0.1419","0.1514","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544215","26.2392","0.0008","5.1197","0.0001","14.2546","0.0004","90","","103.826","0.001","90","","1859.43","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6-Methyl-1-benzofuran-3-yl acetic acid","","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","2","","Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha","2-(6-Methyl-1-benzofuran-3-yl)acetic acid","IUCrData","2016","1","9","x161434","","10.1107/S2414314616014346","","","0.71073","MoKα","","0.0518","0.0387","","","0.1034","0.1153","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544216","10.6503","0.0002","10.6112","0.0002","11.2086","0.0002","90","","97.857","0.002","90","","1254.82","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Methyl-<i>N</i>-(pyrazin-2-yl)propanamide‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1)","","- C11 H11 F2 I N3 O -","- C11 H11 F2 I N3 O -","- C44 H44 F8 I4 N12 O4 -","4","1","BT4027","Dziuk, Błażej; Ośmiałowski, Borys; Zarychta, Bartosz; Ejsmont, Krzysztof","2-Methyl-<i>N</i>-(pyrazin-2-yl)propanamide‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1)","IUCrData","2016","1","9","x161466","","10.1107/S2414314616014668","","","0.71073","MoKα","","0.016","0.0145","","","0.0359","0.0363","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","186806","2020-10-21","18:00:00",""
"1544217","7.2101","0.0003","8.2105","0.0003","20.5363","0.0008","90","","90.619","0.001","90","","1215.65","0.08","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(2,3-Dibromoallyl)sulfanyl]-1-methyl-1<i>H</i>-imidazol-3-ium bromide","","- C7 H9 Br3 N2 S -","- C7 H9 Br3 N2 S -","- C28 H36 Br12 N8 S4 -","4","1","SJ4057","Oberparleiter, Stefan; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","(<i>E</i>)-2-[(2,3-Dibromoallyl)sulfanyl]-1-methyl-1<i>H</i>-imidazol-3-ium bromide","IUCrData","2016","1","9","x161499","","10.1107/S2414314616014991","","","0.71073","MoKα","","0.0266","0.0214","","","0.0507","0.0524","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544218","9.4212","0.0017","12.062","0.002","16.116","0.003","107.369","0.003","95.857","0.003","107.938","0.004","1624.5","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","{6,6'-Dimethyl-2,2'-bis[(2-oxidobenzylidene)amino]-1,1'-biphenyl-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis(propan-2-olato-κ<i>O</i>)titanium(IV) <i>n</i>-hexane hemisolvate","","- C37 H43 N2 O4 Ti -","- C37 H43 N2 O4 Ti -","- C74 H86 N4 O8 Ti2 -","2","1","WM4027","Chen, Liang; Deng, Xuebin","{6,6'-Dimethyl-2,2'-bis[(2-oxidobenzylidene)amino]-1,1'-biphenyl-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis(propan-2-olato-κ<i>O</i>)titanium(IV) <i>n</i>-hexane hemisolvate","IUCrData","2016","1","9","x161482","","10.1107/S2414314616014826","","","0.71073","MoKα","","0.0896","0.0635","","","0.1611","0.1764","","","","","","1.053","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544227","6.494","0.004","17.665","0.01","13.508","0.008","90","","92.402","0.009","90","","1548.2","1.6","300.15","","300.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(2-Butyl-4-chloro-1<i>H</i>-imidazol-5-yl)methylidene]-<i>N</i>-methylhydrazine-1-carbothioamide monohydrate","","- C10 H18 Cl N5 O S -","- C10 H18 Cl N5 O S -","- C40 H72 Cl4 N20 O4 S4 -","4","1","","Aabaka, Sreenath Reddy; Yaaratha, Sarala; Krishna, L. Sivarama; Das, Samar K.; Ammireddy, Varada Reddy","(<i>E</i>)-2-[(2-Butyl-4-chloro-1<i>H</i>-imidazol-5-yl)methylidene]-<i>N</i>-methylhydrazine-1-carbothioamide monohydrate","IUCrData","2016","1","9","x161514","","10.1107/S2414314616015145","","","0.71073","MoKα","","0.0645","0.0486","","","0.1383","0.1504","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544228","11.0789","0.0017","4.9866","0.0008","15.049","0.002","90","","108.041","0.007","90","","790.5","0.2","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7-Dichloro-1<i>H</i>-indole-2,3-dione","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","1","SJ4060","Golen, James A.; Manke, David R.","5,7-Dichloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","9","x161510","","10.1107/S2414314616015108","","","1.54178","CuKα","","0.0396","0.0353","","","0.0836","0.0861","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544229","7.4849","0.0008","16.1306","0.0016","10.4904","0.001","90","","109.234","0.003","90","","1195.9","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylanilinium 2-hydroxysuccinate","4-Methylanilinium 3-carboxy-2-hydroxypropanoate","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","VM4015","Kalaiyarasi, S.; Devi, S. Reena; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium 3-carboxy-2-hydroxypropanoate","IUCrData","2016","1","9","x161525","","10.1107/S241431461601525X","","","0.71073","MoKα","","0.0944","0.0483","","","0.1162","0.1363","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544230","16.109","0.0009","11.2205","0.0005","10.7515","0.0005","90","","104.888","0.002","90","","1878.11","0.16","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,3,4-trimethoxybenzylidene)benzohydrazide monohydrate","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","BT4029","Veeramanikandan, S.; Sherine, H. Benita; Gunasekaran, B.; Chakkaravarthi, G.","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,3,4-trimethoxybenzylidene)benzohydrazide monohydrate","IUCrData","2016","1","9","x161526","","10.1107/S2414314616015261","","","0.71073","MoKα","","0.1157","0.0486","","","0.113","0.1446","","","","","","0.99","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544231","5.9136","0.0001","19.1658","0.0004","10.8946","0.0002","90","","91.852","0.002","90","","1234.14","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>-Dicyclohexylnitramine","<i>N</i>-Cyclohexyl-<i>N</i>-nitrocyclohexanamine","","- C12 H22 N2 O2 -","- C12 H22 N2 O2 -","- C48 H88 N8 O8 -","4","1","HB4079","Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław; Zarychta, Bartosz","<i>N</i>,<i>N</i>-Dicyclohexylnitramine","IUCrData","2016","1","9","x161513","","10.1107/S2414314616015133","","","0.71073","MoKα","","0.0464","0.034","","","0.0808","0.0841","","","","","","1.073","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544243","19.5521","0.0012","15.1072","0.0005","15.5543","0.0009","90","","126.057","0.004","90","","3714.3","0.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","","- C20 H10 Cl3 N5 O -","- C20 H10 Cl3 N5 O -","- C160 H80 Cl24 N40 O8 -","8","1","","Abu Thaher, Bassam; Schollmeyer, Dieter; Qeshta, Basem; Wahedy, Kanan M.; Almasri, Ihab M.; Morjan, Rami Y.; Deigner, Hans-Peter","1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","IUCrData","2016","1","10","x161529","","10.1107/S2414314616015297","","","0.71073","MoKα","","0.059","0.0413","","","0.104","0.1133","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544244","3.9059","0.0008","13.493","0.003","13.767","0.003","92.212","0.007","93.163","0.007","93.016","0.007","722.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","Diethyl 2,2'-bipyridine-4,4'-dicarboxylate","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","1","","Rillema, D. Paul; Moore, Curtis; KomReddy, Venugopal","Diethyl 2,2'-bipyridine-4,4'-dicarboxylate","IUCrData","2016","1","10","x161547","","10.1107/S2414314616015479","","","0.71073","MoKα","","0.1059","0.0568","","","0.1226","0.1413","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544251","4.6056","0.0003","24.7911","0.0013","13.7523","0.0007","90","","98.751","0.003","90","","1551.93","0.15","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2,3-Dimethoxyphenyl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","HB4081","Koh, Dongsoo","(<i>E</i>)-3-(2,3-Dimethoxyphenyl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","IUCrData","2016","1","10","x161492","","10.1107/S2414314616014929","","","0.71073","MoKα","","0.1004","0.0499","","","0.1057","0.1263","","","","","","1.018","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544252","8.2241","0.0004","12.2161","0.0007","12.3952","0.0008","115.507","0.006","93.532","0.004","96.914","0.004","1106.77","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Nitrophenyl)-2-({4-phenyl-5-[(<i>p</i>-tolyloxy)methyl]-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetamide","","- C24 H21 N5 O4 S -","- C24 H21 N5 O4 S -","- C48 H42 N10 O8 S2 -","2","1","SJ4062","Al-Taifi, Elham A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.","1-(4-Nitrophenyl)-2-({4-phenyl-5-[(<i>p</i>-tolyloxy)methyl]-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetamide","IUCrData","2016","1","10","x161533","","10.1107/S2414314616015339","","","1.54184","CuKα","","0.0479","0.0382","","","0.0956","0.1019","","","","","","1.021","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544253","11.0662","0.0005","11.1661","0.0005","11.2508","0.0005","65.2268","0.0006","67.0573","0.0006","71.9789","0.0006","1144.57","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[1-Phenyl-2,5-bis(trimethylsilyl)pent-2-en-4-yn-1-yl]aniline","","- C23 H31 N Si2 -","- C23 H31 N Si2 -","- C46 H62 N2 Si4 -","2","1","","Burlakov, Vladimir V.; Spannenberg, Anke; Bogdanov, Vyacheslav S.; Andreev, Maxim V.; Arndt, Perdita; Rosenthal, Uwe","<i>N</i>-[1-Phenyl-2,5-bis(trimethylsilyl)pent-2-en-4-yn-1-yl]aniline","IUCrData","2016","1","10","x161559","","10.1107/S2414314616015595","","","0.71073","MoKα","","0.042","0.0321","","","0.079","0.0856","","","","","","1.033","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544254","8.1712","0.0004","20.1515","0.0009","9.136","0.0004","90","","105.806","0.005","90","","1447.47","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diisopropylammonium 4-aminobenzenesulfonate","","- C12 H22 N2 O3 S -","- C12 H22 N2 O3 S -","- C48 H88 N8 O12 S4 -","4","1","","Sarr, Bougar; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Blanchard, Florent; Michaud, Francois","Diisopropylammonium 4-aminobenzenesulfonate","IUCrData","2016","1","10","x161545","","10.1107/S2414314616015455","","","0.71073","MoKα","","0.0649","0.0497","","","0.1232","0.136","","","","","","1.035","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544255","11.5383","0.0007","7.9873","0.0005","28.3149","0.0019","90","","90.525","0.003","90","","2609.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-phenylquinoline-4-carboxylate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","2","TK4021","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Al-badrany, Khalid A.; Ahmed, Ehab A.","Methyl 2-phenylquinoline-4-carboxylate","IUCrData","2016","1","10","x161500","","10.1107/S2414314616015005","","","1.54178","CuKα","","0.0548","0.0431","","","0.105","0.1136","","","","","","1.042","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544256","6.1146","0.0009","28.3272","0.001","5.9614","0.0008","90","","90","","90","","1032.6","0.2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-Azaniumyl-2-methyl-3-phenylpropanoate monohydrate","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","BH4013","Fujii, Isao","(<i>S</i>)-2-Azaniumyl-2-methyl-3-phenylpropanoate monohydrate","IUCrData","2016","1","10","x161516","","10.1107/S2414314616015169","","","1.54184","CuKα","","0.0313","0.0285","","","0.0779","0.0818","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544273","11.752","0.003","12.212","0.004","13.257","0.003","85.95","0.02","87.98","0.02","70.17","0.02","1785.2","0.9","294","","294","","","","","","","","","7","P -1","-P 1","2","","Diaquatetrakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate","","- C28 H80 Co Cr2 N12 O14 S18 -","- C28 H80 Co Cr2 N12 O14 S18 -","- C28 H80 Co Cr2 N12 O14 S18 -","1","0.5","SJ4061","Rusanova, Julia A.; Dyakonenko, Viktoriya V.; Semenaka, Valentina V.","Diaquatetrakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate","IUCrData","2016","1","10","x161571","","10.1107/S2414314616015716","","","0.71073","MoKα","","0.1556","0.0693","","","0.1616","0.1954","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544274","6.2844","0.0002","11.7141","0.0005","21.6006","0.001","90","","90","","90","","1590.15","0.11","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","3-Chloro-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)-3-methylpiperidin-4-one","","- C18 H16 Cl F2 N O -","- C18 H16 Cl F2 N O -","- C72 H64 Cl4 F8 N4 O4 -","4","1","BV4004","Arulraj, R.; Sivakumar, S.; Thiruvalluvar, A.; Kaur, Manpreet; Jasinski, Jerry P.","3-Chloro-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)-3-methylpiperidin-4-one","IUCrData","2016","1","10","x161580","","10.1107/S2414314616015807","","","1.54184","CuKα","","0.0512","0.0488","","","0.1198","0.1224","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544275","9.938","0.002","10.085","0.002","14.23","0.004","80.194","0.003","86.588","0.003","81.534","0.003","1389.2","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-2-(4-{[(<i>E</i>)-2-Hydroxybenzylidene]amino}phenyl)-3-[4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl]acrylonitrile","","- C32 H35 N3 O5 -","- C32 H35 N3 O5 -","- C64 H70 N6 O10 -","2","1","","Zhang, Xin; Wu, Zhi-Chao","(<i>Z</i>)-2-(4-{[(<i>E</i>)-2-Hydroxybenzylidene]amino}phenyl)-3-[4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl]acrylonitrile","IUCrData","2016","1","10","x161598","","10.1107/S2414314616015984","","","0.71073","MoKα","","0.095","0.0519","","","0.1361","0.1549","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544276","7.53614","0.00016","30.5246","0.0006","15.4918","0.0004","90","","90","","90","","3563.7","0.14","173","","173","","","","","","","","","6","P n n a","-P 2a 2bc","52","","Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate","","- C38 H28 Cl2 Cu N8 O4 -","- C38 H28 Cl2 Cu N8 O4 -","- C152 H112 Cl8 Cu4 N32 O16 -","4","0.5","BT4028","Ohtsu, Hideki; Tezuka, Yosuke; Narita, Michitari; Tsuge, Kiyoshi; Tanaka, Koji","Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate","IUCrData","2016","1","10","x161562","","10.1107/S2414314616015625","","","0.71075","MoKα","","0.055","0.0432","","","0.124","0.1317","","","","","","1.056","","","","has coordinates,has Fobs","187283","2020-10-21","18:00:00",""
"1544288","9.6854","0.0005","10.9169","0.0006","13.145","0.0007","79.029","0.004","75.615","0.003","85.345","0.004","1320.86","0.12","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2,5-Dimethylanilinium 4-hydroxybenzoate–2,5-dimethylaniline–4-hydroxybenzoic acid (1/1/1)","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C60 H68 N4 O12 -","2","1","HB4085","Mani, A.; Rajesh, K.; Kumar, P. Praveen; Chakkaravarthi, G.","2,5-Dimethylanilinium 4-hydroxybenzoate–2,5-dimethylaniline–4-hydroxybenzoic acid (1/1/1)","IUCrData","2016","1","10","x161607","","10.1107/S2414314616016072","","","0.71073","MoKα","","0.1229","0.0586","","","0.1193","0.1446","","","","","","1.014","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544289","9.1166","0.0018","10.022","0.002","10.781","0.002","116.951","0.002","97.13","0.002","102.195","0.002","830.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide","","- C16 H14 N8 O2 -","- C16 H14 N8 O2 -","- C32 H28 N16 O4 -","2","1","SJ4064","Wang, Zhaodong; Yang, Yanshuang; Lin, Huanzhu","<i>N</i>,<i>N</i>'-Bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide","IUCrData","2016","1","10","x161588","","10.1107/S2414314616015881","","","0.71073","MoKα","","0.0603","0.0405","","","0.1167","0.1318","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544290","10.5321","0.0015","18.794","0.003","9.0491","0.0012","90","","113.903","0.005","90","","1637.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate monohydrate","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C68 H76 N12 O16 -","4","1","XU4017","Akhramez, Soufiane; Hafid, Abderrafia; Khouili, Mostafa; Mentre, Olivier; Ketatni, El Mostafa","Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate monohydrate","IUCrData","2016","1","10","x161619","","10.1107/S2414314616016199","","","0.71073","MoKα","","0.1065","0.0561","","","0.1452","0.1664","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544291","13.6564","0.0006","12.3755","0.0004","7.7281","0.0003","90","","117.586","0.001","90","","1157.61","0.08","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Benzene-1,2-diaminium phosphite","Benzene-1,2-diaminium bis(hydrogen phosphonate)","","- C6 H14 N2 O6 P2 -","- C6 H14 N2 O6 P2 -","- C24 H56 N8 O24 P8 -","4","0.5","VM4016","Zahid, Md.; Akilan, R.; Ganesh, T.; Kumar, R. Mohan; Chakkaravarthi, G.","Benzene-1,2-diaminium bis(hydrogen phosphonate)","IUCrData","2016","1","10","x161591","","10.1107/S2414314616015911","","","0.71073","MoKα","","0.0349","0.03","","","0.0879","0.0922","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544292","12.35","0.003","4.8107","0.0013","42.812","0.011","90","","97.569","0.009","90","","2521.4","1.1","173","","173","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Ammonium hydrogen bis[4-(2-phenyl-2<i>H</i>-tetrazol-5-yl)benzoate]","","- C28 H23 N9 O4 -","- C28 H23 N9 O4 -","- C112 H92 N36 O16 -","4","0.5","SU4081","Janzen, Daron E.; Lange, Kayla A.; Wollack, James W.","Ammonium hydrogen bis[4-(2-phenyl-2<i>H</i>-tetrazol-5-yl)benzoate]","IUCrData","2016","1","10","x161570","","10.1107/S2414314616015704","","","0.71075","MoKα","","0.0757","0.0596","","","0.1232","0.1283","","","","","","1.185","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544293","12.5178","0.0011","7.8321","0.0009","12.6354","0.0015","90","","107.763","0.008","90","","1179.7","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2,4-Dimethylpyrido[1,2-<i>a</i>]pyrimidin-5-ium perchlorate","","- C10 H11 Cl N2 O4 -","- C10 H11 Cl N2 O4 -","- C40 H44 Cl4 N8 O16 -","4","1","","Posel, Maciej; Stoeckli-Evans, Helen","2,4-Dimethylpyrido[1,2-<i>a</i>]pyrimidin-5-ium perchlorate","IUCrData","2016","1","10","x161543","","10.1107/S2414314616015431","","","0.71073","MoKα","","0.1173","0.0716","","","0.1382","0.1676","","","","","","1.129","","","","has coordinates,has Fobs","187349","2020-10-21","18:00:00",""
"1544294","8.8895","0.0007","8.9652","0.0007","19.6555","0.0015","95.093","0.003","95.922","0.003","98.563","0.003","1532.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","7,9-Didodecyl-6-methyl-3<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>,9a<i>H</i>-[1,2,4]triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","","- C30 H55 N5 O -","- C30 H55 N5 O -","- C60 H110 N10 O2 -","2","1","BH4015","El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","7,9-Didodecyl-6-methyl-3<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>,9a<i>H</i>-[1,2,4]triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","IUCrData","2016","1","10","x161587","","10.1107/S241431461601587X","","","1.54178","CuKα","","0.0535","0.0461","","","0.1272","0.1348","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544295","8.0774","0.001","6.5801","0.0006","21.668","0.003","90","","98.24","0.005","90","","1139.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Nitro-2-[(phenylimino)methyl]phenol","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","HG4016","Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.; Panneer Selvam, K.","(<i>E</i>)-4-Nitro-2-[(phenylimino)methyl]phenol","IUCrData","2016","1","10","x161595","","10.1107/S2414314616015959","","","0.71073","MoKα","","0.0963","0.0462","","","0.1063","0.1351","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544308","7.1432","0.0002","13.35","0.0005","29.4794","0.001","90","","90","","90","","2811.21","0.16","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Creatinium-4-methylbenzenesulfonate","{Amino[(carboxymethyl)(methyl)amino]methylidene}azanium 4-methylbenzenesulfonate","","- C11 H17 N3 O5 S -","- C11 H17 N3 O5 S -","- C88 H136 N24 O40 S8 -","8","1","HB4086","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","Creatinium 4-methylbenzenesulfonate","IUCrData","2016","1","10","x161622","","10.1107/S2414314616016229","","","0.71073","MoKα","","0.0457","0.0381","","","0.0995","0.1079","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544309","7.6704","0.0008","13.2898","0.0013","9.0627","0.0009","90","","107.22","0.006","90","","882.42","0.16","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>E</i>)-<i>N</i>'-Benzylidene-2-phenylquinoline-4-carbohydrazide","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C46 H34 N6 O2 -","2","1","SU4080","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.; Ahmed, Ehab A.","(<i>E</i>)-<i>N</i>'-Benzylidene-2-phenylquinoline-4-carbohydrazide","IUCrData","2016","1","10","x161544","","10.1107/S2414314616015443","","","1.54178","CuKα","","0.0428","0.0369","","","0.0817","0.0868","","","","","","1.074","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544310","11.791","0.005","15.005","0.005","14.711","0.005","90","0.005","92.716","0.005","90","0.005","2599.8","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-[(1<i>E</i>,1'<i>E</i>)-(2-Chloropyrimidine-4,6-diyl)bis(ethene-2,1-diyl)]bis(<i>N</i>,<i>N</i>-diethylaniline)","","- C28 H33 Cl N4 -","- C28 H33 Cl N4 -","- C112 H132 Cl4 N16 -","4","1","","Hu, Lei; Wang, Hui; Zhang, Qiong","4,4'-[(1<i>E</i>,1'<i>E</i>)-(2-Chloropyrimidine-4,6-diyl)bis(ethene-2,1-diyl)]bis(<i>N</i>,<i>N</i>-diethylaniline)","IUCrData","2016","1","10","x161590","","10.1107/S241431461601590X","","","0.71073","MoKα","","0.1714","0.0568","","","0.1361","0.2034","","","","","","0.907","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544311","6.0504","0.0011","10.2188","0.0013","10.8744","0.0016","106.062","0.012","102.923","0.014","103.358","0.014","598.14","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Ethyl (naphthalen-2-yloxy)acetate","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","HB4083","Madan Kumar, S.; Manju, N.; Kalluraya, Balakrishna; Byrappa, K.; Abdoh, M. M. M.","Ethyl (naphthalen-2-yloxy)acetate","IUCrData","2016","1","10","x161594","","10.1107/S2414314616015947","","","0.71073","MoKα","","0.1633","0.0827","","","0.1993","0.2589","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544312","6.7439","0.0002","10.8441","0.0003","17.7415","0.0006","90","","100.732","0.0013","90","","1274.77","0.07","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-4<i>H</i>-chromen-4-one","","- C16 H9 N3 O3 -","- C16 H9 N3 O3 -","- C64 H36 N12 O12 -","4","1","FF4010","Koh, Dongsoo","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-4<i>H</i>-chromen-4-one","IUCrData","2016","1","10","x161625","","10.1107/S2414314616016254","","","0.71073","MoKα","","0.061","0.041","","","0.101","0.112","","","","","","1.065","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544313","9.2437","0.0008","9.2437","0.0008","47.683","0.004","90","","90","","120","","3528.5","0.5","100","2","100","2","","","","","","","","5","P 61","P 61","169","","Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^3^}(nitrato-κ<i>O</i>)dizinc(II)]","","- C18 H30 N10 O3 Zn2 -","- C18 H30 N10 O3 Zn2 -","- C108 H180 N60 O18 Zn12 -","6","1","WM4025","Kuramoto, Takahiro; Sadakiyo, Masaaki; Yamauchi, Miho","Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^3^}(nitrato-κ<i>O</i>)dizinc(II)]","IUCrData","2016","1","10","x161626","","10.1107/S2414314616016266","","","0.71069","MoKα","","0.0263","0.0246","","","0.0602","0.0607","","","","","","1.034","","","","has coordinates,has Fobs","187413","2020-10-21","18:00:00",""
"1544339","8.5071","0.0003","20.9755","0.0008","8.9099","0.0004","90","","90.173","0.003","90","","1589.88","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide","","- C7 H15 F6 N3 O4 S2 -","- C7 H15 F6 N3 O4 S2 -","- C28 H60 F24 N12 O16 S8 -","4","1","","Hummel, Michael; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","[(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide","IUCrData","2016","1","10","x161658","","10.1107/S2414314616016588","","","0.71073","MoKα","","0.0351","0.0318","","","0.0669","0.0681","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544340","6.0265","0.0016","11.062","0.003","11.848","0.003","108.812","0.007","103.95","0.008","100.848","0.008","694.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6,8-dimethyl-2<i>H</i>-chromen-2-one","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C30 H30 N6 O6 -","2","1","HB4087","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M.","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6,8-dimethyl-2<i>H</i>-chromen-2-one","IUCrData","2016","1","10","x161644","","10.1107/S2414314616016448","","","1.54178","CuKα","","0.0423","0.0416","","","0.1134","0.1143","","","","","","1.039","","","","has coordinates,has Fobs","187494","2020-10-21","18:00:00",""
"1544341","10.6382","0.0007","7.6075","0.0005","19.8693","0.0013","90","","93.219","0.001","90","","1605.49","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-amino-<i>N</i>-oxidobenzamide)bis[(4-amino-<i>N</i>-oxidobenzamide)aquacobalt] dihydrate","","- C28 H36 Co2 N8 O12 -","- C28 H36 Co2 N8 O12 -","- C56 H72 Co4 N16 O24 -","2","0.5","SJ4066","Ding, Xulong; Li, Li","Bis(μ-4-amino-<i>N</i>-oxidobenzamide)bis[(4-amino-<i>N</i>-oxidobenzamide)aquacobalt] dihydrate","IUCrData","2016","1","10","x161640","","10.1107/S2414314616016400","","","0.71073","MoKα","","0.0501","0.0334","","","0.0778","0.0859","","","","","","0.946","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544354","11.701","0.002","10.947","0.002","7.4253","0.0015","90","","107.68","0.03","90","","906.2","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Carboxy-2-(pyridinium-2-yl)-1<i>H</i>-imidazole-5-carboxylate","","- C10 H7 N3 O4 -","- C10 H7 N3 O4 -","- C40 H28 N12 O16 -","4","1","","Zhang, Kanglong; Qi, Xiaojin; Yuan, Bingnian","Zwitterionic 4-carboxy-2-(pyridinium-2-yl)-1<i>H</i>-imidazole-5-carboxylate","IUCrData","2016","1","10","x161641","","10.1107/S2414314616016412","","","0.71073","MoKα","","0.0527","0.0469","","","0.1193","0.1243","","","","","","1.002","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544355","13.1921","0.0009","7.5999","0.0005","15.2507","0.0011","90","","105.223","0.007","90","","1475.36","0.18","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 S3 -","- C7 H4 S3 -","- C56 H32 S24 -","8","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery","3<i>H</i>-1,2-Benzodithiole-3-thione","IUCrData","2016","1","10","x161688","","10.1107/S2414314616016886","","","0.71073","MoKα","","0.0626","0.0588","","0.1737","0.1688","0.1737","","","","","","1.0434","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544395","9.4893","0.0013","13.5903","0.0019","9.0554","0.0012","90","","94.896","0.002","90","","1163.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(<i>E</i>)-(3-Hydroxy-4-methoxybenzylidene)amino]-3-methylthiourea","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","1","","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","1-[(<i>E</i>)-(3-Hydroxy-4-methoxybenzylidene)amino]-3-methylthiourea","IUCrData","2016","1","10","x161599","","10.1107/S2414314616015996","","","0.71073","MoKα","","0.0654","0.0434","","","0.1038","0.1206","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544396","4.5974","0.0003","30.675","0.002","13.809","0.0009","90","","91.961","0.001","90","","1946.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl)]sulfinyl}-1-(prop-2-yn-1-yl)-1<i>H</i>-benzimidazole","","- C20 H21 N3 O3 S -","- C20 H21 N3 O3 S -","- C80 H84 N12 O12 S4 -","4","1","SU4087","El Bakri, Youness; Ramli, Youssef; Harmaoui, Abdallah; Elhafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","5-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl)]sulfinyl}-1-(prop-2-yn-1-yl)-1<i>H</i>-benzimidazole","IUCrData","2016","1","10","x161695","","10.1107/S2414314616016953","","","0.71073","MoKα","","0.1019","0.0825","","","0.2167","0.2257","","","","","","1.099","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544397","24.392","0.003","5.9336","0.0008","12.3651","0.0016","90","","100.828","0.008","90","","1757.8","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2'-Ethoxy-4'-fluoro-[1,1'-biphenyl]-4-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole","","- C22 H18 F N3 O -","- C22 H18 F N3 O -","- C88 H72 F4 N12 O4 -","4","1","HG4017","Gilandoust, Maryam; Naveen, S.; Harsha, K. B.; Lokanath, N. K.; Rangappa, K. S.","1-(2'-Ethoxy-4'-fluoro-[1,1'-biphenyl]-4-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole","IUCrData","2016","1","10","x161712","","10.1107/S2414314616017120","","","1.54178","CuKα","","0.0676","0.0458","","","0.1249","0.1398","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544398","8.895","0.005","7.648","0.005","15.091","0.005","90","","98.566","0.005","90","","1015.2","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-4-({[4-(Benzo[<i>d</i>]thiazol-2-yl)phenyl]imino}methyl)-<i>N</i>,<i>N</i>-diethylaniline","","- C24 H23 N3 S -","- C24 H23 N3 S -","- C48 H46 N6 S2 -","2","1","","Yao, Shun; Zhang, Xin","(<i>E</i>)-4-({[4-(Benzo[<i>d</i>]thiazol-2-yl)phenyl]imino}methyl)-<i>N</i>,<i>N</i>-diethylaniline","IUCrData","2016","1","10","x161621","","10.1107/S2414314616016217","","","0.71069","MoKα","","0.0558","0.0441","","","0.1129","0.122","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544399","9.8203","0.0004","10.6193","0.0004","22.5202","0.0009","90","","98.098","0.001","90","","2325.09","0.16","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,5-Bis[(dimethylamino)methyl]-1<i>H</i>-pyrrole","","- C10 H19 N3 -","- C10 H19 N3 -","- C80 H152 N24 -","8","2","LH5824","Guo, Zhiqiang; Li, Pengxiang; Feng, Pengcheng; Liu, Kai; Wei, Xuehong","2,5-Bis[(dimethylamino)methyl]-1<i>H</i>-pyrrole","IUCrData","2016","1","10","x161617","","10.1107/S2414314616016175","","","0.71073","MoKα","","0.0564","0.0476","","","0.1122","0.1197","","","","","","0.998","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544400","14.3387","0.0016","25.331","0.003","9.8536","0.0012","90","","90","","90","","3579","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5,31-Diaza-2,8,15,18,21,28,34,41,44,47-decaoxaheptacyclo[46.4.0.0^4,32^.0^6,30^.0^9,14^.0^22,27^.0^35,40^]dopentaconta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-pentadecaene monohydrate","","- C40 H42 N2 O11 -","- C40 H42 N2 O11 -","- C160 H168 N8 O44 -","4","1","BH4016","Kim, Jong Sik; Lee, Jai Young; Lee, So Yeon; Lee, Tae Yeon; Sim, Wonbo","5,31-Diaza-2,8,15,18,21,28,34,41,44,47-decaoxaheptacyclo[46.4.0.0^4,32^.0^6,30^.0^9,14^.0^22,27^.0^35,40^]dopentaconta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-pentadecaene monohydrate","IUCrData","2016","1","10","x161698","","10.1107/S2414314616016989","","","0.71073","MoKα","","0.1199","0.0473","","","0.0756","0.1055","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544401","8.9099","0.0012","24.55","0.003","7.2359","0.0011","90","","90","","90","","1582.8","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6-<i>tert</i>-Butyl-4-[(4-hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-2<i>H</i>-chromen-2-one","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","1","SU4083","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M.","6-<i>tert</i>-Butyl-4-[(4-hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-2<i>H</i>-chromen-2-one","IUCrData","2016","1","10","x161618","","10.1107/S2414314616016187","","","1.54178","CuKα","","0.0301","0.0299","","","0.0797","0.0799","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544402","34.026","0.005","10.447","0.005","8.967","0.005","90","0.005","97.601","0.005","90","0.005","3159","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>-(pyridin-3-ylmethylidene)aniline hemihydrate","","- C19 H14 N3 O0.5 S -","- C19 H14 N3 O0.5 S -","- C152 H112 N24 O4 S8 -","8","1","","Hong, Li; Xin, Zhang","(<i>E</i>)-4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>-(pyridin-3-ylmethylidene)aniline hemihydrate","IUCrData","2016","1","10","x161608","","10.1107/S2414314616016084","","","0.71069","MoKα","","0.0409","0.0338","","","0.114","0.1309","","","","","","1.089","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544403","22.8977","0.0005","5.9947","0.0001","24.0352","0.0007","90","","93.297","0.002","90","","3293.73","0.13","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-Oxo-2<i>H</i>-chromen-3-yl 4-<i>tert</i>-butylbenzoate","","- C20 H18 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","ZP4009","Kambo, Konan René; Sosso, Siaka; Djandé, Abdoulaye; Kakou-Yao, Rita; Tenon, Abodou Jules","2-Oxo-2<i>H</i>-chromen-3-yl 4-<i>tert</i>-butylbenzoate","IUCrData","2016","1","10","x161633","","10.1107/S2414314616016333","","","0.71073","MoKα","","0.0514","0.0482","","","0.1248","0.1266","","","","","","1.12","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544436","8.2623","0.0008","16.1821","0.0015","9.4702","0.0009","90","","111.917","0.001","90","","1174.66","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(H2dab)[Mn2(ox)3].6H2O","Poly[butane-1,4-diammonium [tri-μ-oxalato-dimanganese(II)] hexahydrate]","","- C10 H26 Mn2 N2 O18 -","- C10 H26 Mn2 N2 O18 -","- C20 H52 Mn4 N4 O36 -","2","0.5","SJ4065","Sadakiyo, Masaaki; Yamada, Teppei; Kitagawa, Hiroshi","Poly[butane-1,4-diammonium [tri-μ-oxalato-dimanganese(II)] hexahydrate]","IUCrData","2016","1","11","x161639","","10.1107/S2414314616016394","","","0.71069","MoKα","","0.024","0.0222","","","0.0546","0.0562","","","","","","1.071","","","","has coordinates,has Fobs","187747","2020-10-21","18:00:00",""
"1544437","11.7947","0.0009","14.2221","0.0011","18.7864","0.0015","90","","90","","90","","3151.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>R</i>-Camphor-4-phenylthiosemicarbazone","4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C136 H168 N24 O8 S8 -","8","1","BX4004","de Oliveira, Gabriela Porto; Bresolin, Leandro; Nogueira, Vanessa Senna; Zambiazi, Priscila Jussiane; de Oliveira, Adriano Bof","4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","IUCrData","2016","1","11","x161730","","10.1107/S2414314616017302","","","0.71073","MoKα","","0.0842","0.0505","","","0.0959","0.1079","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544438","8.2589","0.0009","8.3715","0.0009","18.097","0.002","87.327","0.006","82.242","0.006","63.248","0.007","1106.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-1-Dodecyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C24 H36 N2 O2 -","- C24 H36 N2 O2 -","- C48 H72 N4 O4 -","2","1","BH4017","Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-1-Dodecyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","11","x161696","","10.1107/S2414314616016965","","","1.54178","CuKα","","0.0636","0.0497","","","0.1255","0.1383","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544439","13.4883","0.0002","8.23273","0.00016","16.8923","0.0003","90","","93.8","0.0017","90","","1871.69","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl {[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methylpyridin-2-yl]sulfanyl}acetate","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C80 H80 N8 O16 S4 -","4","1","BV4005","Al-Taifi, Elham A.; Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.","Ethyl {[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methylpyridin-2-yl]sulfanyl}acetate","IUCrData","2016","1","11","x161715","","10.1107/S2414314616017156","","","1.54184","CuKα","","0.0422","0.0395","","","0.1091","0.1121","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544440","14.7421","0.0006","17.5573","0.0006","21.4675","0.0009","90","","90","","90","","5556.5","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","","- C34 H27 N5 O2 -","- C34 H27 N5 O2 -","- C272 H216 N40 O16 -","8","1","SU4077","Seethalakshmi, P.; Palanivel, C.","1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","IUCrData","2016","1","11","x161686","","10.1107/S2414314616016862","","","0.71073","MoKα","","0.0764","0.0402","","","0.0767","0.0951","","","","","","0.969","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544441","10.5","0.005","21.888","0.005","23.348","0.005","90","","101.145","0.005","90","","5265","3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(<i>Z</i>)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III)","","- C48 H35 F12 Gd N2 O8 S4 -","- C48 H35 F12 Gd N2 O8 S4 -","- C192 H140 F48 Gd4 N8 O32 S16 -","4","1","XU4016","Wu, Da-Jun; Fang, Bin","(<i>E</i>)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(<i>Z</i>)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate","IUCrData","2016","1","11","x161727","","10.1107/S2414314616017272","","","0.71069","MoKα","","0.0826","0.0638","","","0.1348","0.1431","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544442","20.8964","0.0016","5.9156","0.0003","21.9821","0.0017","90","","120.415","0.01","90","","2343.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-(2-Methylfuran-3-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","SJ4067","Paswan, Santosh; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P.","5-(2-Methylfuran-3-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","IUCrData","2016","1","11","x161724","","10.1107/S2414314616017247","","","0.71073","MoKα","","0.0962","0.0574","","","0.1406","0.1667","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544525","8.0644","0.0003","6.941","0.0002","8.6192","0.0003","90","","105.039","0.004","90","","465.94","0.03","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4-Azaniumyl-5-methoxy-2-methylbenzenesulfonate","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C16 H22 N2 O8 S2 -","2","0.5","SU4094","Kennedy, Alan R.; Silva de Moraes, Lygia","4-Ammonio-5-methoxy-2-methylbenzenesulfonate","IUCrData","2016","1","11","x161778","","10.1107/S2414314616017788","","","0.71073","MoKα","","0.0315","0.0289","","","0.0792","0.0813","","","","","","1.098","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544526","3.9268","0.0006","20.752","0.003","12.3431","0.0019","90","","99.182","0.014","90","","992.9","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cl N O S2 -","- C9 H6 Cl N O S2 -","- C36 H24 Cl4 N4 O4 S8 -","4","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","5-Anilino-4-chloro-3<i>H</i>-1,2-dithiol-3-one","IUCrData","2016","1","11","x161736","","10.1107/S2414314616017363","","","0.71073","MoKα","","0.0792","0.066","","0.1549","0.1242","0.1549","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544527","9.6524","0.0006","22.6947","0.0013","29.0945","0.0017","90","","90","","90","","6373.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyclolinopeptide acetonitrile disolvate","Cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate","","- C61 H91 N11 O9 -","- C61 H91 N11 O9 -","- C244 H364 N44 O36 -","4","1","","Chitanda, Jackson Mulenga; Zhu, Jianfeng; Mausberg, Philip; Burnett, Peta-Gaye Gillian; Reaney, Martin J. T.","[1‒9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate","IUCrData","2016","1","11","x161706","","10.1107/S2414314616017065","","","1.54178","CuKα","","0.0811","0.0595","","","0.1537","0.1661","","","","","","1.048","","","","has coordinates,has Fobs","188340","2020-10-21","18:00:00",""
"1544528","21.1951","0.0006","4.028","0.0001","11.9433","0.0003","90","","90","","90","","1019.65","0.05","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[chloridolead(II)]-μ~2~-chlorido-di-μ~2~-thiourea-κ^2^<i>S</i>:<i>S</i>]","","- C2 H8 Cl2 N4 Pb S2 -","- C2 H8 Cl2 N4 Pb S2 -","- C8 H32 Cl8 N16 Pb4 S8 -","4","1","WM4030","Zouihri, Hafid; Yamni, Khalid; Messouss, Youssef; Tijani, Najib; Messaoudi, Lahcen","Redetermination of <i>catena</i>-poly[[chloridolead(II)]-μ~2~-chlorido-di-μ~2~-thiourea-κ^4^<i>S</i>:<i>S</i>] at 100K","IUCrData","2016","1","11","x161745","","10.1107/S2414314616017454","","","0.71073","MoKα","","0.0204","0.0181","","","0.0406","0.0412","","","","","","1.041","","","","has coordinates,has Fobs","188341","2020-10-21","18:00:00",""
"1544529","15.071","0.003","4.4304","0.0011","27.422","0.009","90","","106.59","0.03","90","","1754.8","0.8","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O4 S3 -","- C18 H18 O4 S3 -","- C72 H72 O16 S12 -","4","0.5","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","Diethyl 2,2'-(trisulfane-1,3-diyl)dibenzoate","IUCrData","2016","1","11","x161708","","10.1107/S2414314616017089","","","0.71073","MoKα","","0.1043","0.0792","","0.1664","0.1556","0.1664","","","","","","0.9946","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544530","23.9226","0.0019","7.1372","0.0006","13.0562","0.0011","90","","99.158","0.005","90","","2200.8","0.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C96 H80 N16 O32 -","8","1","IS4012","Eltayeb, Naser Eltaher","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate","IUCrData","2016","1","11","x161689","","10.1107/S2414314616016898","","","0.71073","MoKα","","0.0682","0.0451","","","0.1041","0.1148","","","","","","1.072","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544531","13.978","0.002","13.208","0.0019","22.137","0.003","90","","90","","90","","4087","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate","","- C18 H22 Cl Mn N2 O10 -","- C18 H22 Cl Mn N2 O10 -","- C144 H176 Cl8 Mn8 N16 O80 -","8","1","WM4031","Noor, Shabana; Seidel, Rüdiger W.; Goddard, Richard; Kumar, Sarvendra; Sabir, Suhail","Redetermination of diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate at 100K","IUCrData","2016","1","11","x161735","","10.1107/S2414314616017351","","","0.71073","MoKα","","0.0508","0.0338","","","0.0805","0.0884","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544532","14.7907","0.0005","4.80351","0.00015","17.1203","0.0008","90","","92.067","0.004","90","","1215.56","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyrazine-5-carboxamide","","- C13 H12 N6 O -","- C13 H12 N6 O -","- C52 H48 N24 O4 -","4","1","TK4024","Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; El-Emary, Talaat I.; Albayati, Mustafa R.","6-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyrazine-5-carboxamide","IUCrData","2016","1","11","x161742","","10.1107/S2414314616017429","","","1.54184","CuKα","","0.0476","0.0414","","","0.1057","0.1123","","","","","","1.06","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544541","9.455","0.0005","11.9077","0.0006","12.212","0.0007","62.429","0.005","79.276","0.004","77.627","0.004","1184.46","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-(9<i>H</i>-Carbazol-9-yl)propanoic acid","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","2","HB4092","Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; El-Emary, Talaat I.; Albayati, Mustafa R.","3-(9<i>H</i>-Carbazol-9-yl)propanoic acid","IUCrData","2016","1","11","x161787","","10.1107/S2414314616017879","","","1.54184","CuKα","","0.0591","0.0445","","","0.1158","0.1251","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544542","10.804","0.0002","13.6433","0.0003","13.2159","0.0003","90","","97.8812","0.0007","90","","1929.65","0.07","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2-(2,2'-Bipyridin-6-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]dichloridozinc","","- C22 H14 Cl2 N4 Zn -","- C22 H14 Cl2 N4 Zn -","- C88 H56 Cl8 N16 Zn4 -","4","1","BT4032","Tezuka, Yosuke; Tsuge, Kiyoshi; Ohtsu, Hideki","[2-(2,2'-Bipyridin-6-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]dichloridozinc","IUCrData","2016","1","11","x161779","","10.1107/S241431461601779X","","","0.71075","MoKα","","0.0415","0.0381","","","0.0955","0.0972","","","","","","1.119","","","","has coordinates,has Fobs","188384","2020-10-21","18:00:00",""
"1544543","14.8773","0.0002","12.2499","0.0002","19.3288","0.0003","90","","90","","90","","3522.59","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ferrocenecarboxylic anhydride","","- C22 H18 Fe2 O3 -","- C22 H18 Fe2 O3 -","- C176 H144 Fe16 O24 -","8","1","HB4093","McAdam, C. John; Simpson, Jim","Ferrocenecarboxylic anhydride: a redetermination","IUCrData","2016","1","11","x161769","","10.1107/S2414314616017697","","","1.54184","CuKα","","0.0313","0.0295","","","0.0879","0.0904","","","","","","0.843","","","","has coordinates,has Fobs","188385","2020-10-21","18:00:00",""
"1544544","6.366","0.0011","15.282","0.003","21.575","0.004","88.968","0.002","87.985","0.002","79.217","0.002","2060.5","0.7","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis{2-[3-(carboxymethyl)adamantan-1-yl]acetato-κ^2^<i>O</i>,<i>O</i>'}cadmium(II)]-μ-<i>N</i>,<i>N</i>'-bis(pyridine-4-carboxamido)piperazine-κ^2^<i>N</i>:<i>N</i>']","","- C44 H54 Cd N4 O10 -","- C44 H54 Cd N4 O10 -","- C88 H108 Cd2 N8 O20 -","2","1","LH4013","Travis, Jamelah Z.; LaDuca, Robert L.","<i>catena</i>-Poly[[bis{2-[3-(carboxymethyl)adamantan-1-yl]acetato-κ^2^<i>O</i>,<i>O</i>'}cadmium(II)]-μ-<i>N</i>,<i>N</i>'-bis(pyridine-4-carboxamido)piperazine-κ^2^<i>N</i>:<i>N</i>']","IUCrData","2016","1","11","x161764","","10.1107/S2414314616017648","","","0.71073","MoKα","","0.0527","0.0429","","","0.1077","0.115","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","188386","2020-10-21","18:00:00",""
"1544545","7.9543","0.0007","13.3271","0.0011","8.8107","0.0007","90","","92.761","0.003","90","","932.92","0.13","200","2","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(3,4-Dimethoxyphenyl)ethanone","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","VM4018","Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","1-(3,4-Dimethoxyphenyl)ethanone","IUCrData","2016","1","11","x161794","","10.1107/S2414314616017946","","","0.71073","MoKα","","0.0514","0.0355","","","0.0863","0.0955","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544546","7.5691","0.0005","7.7907","0.0005","14.904","0.001","101.911","0.005","91.311","0.005","107.224","0.005","818.06","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chloro-2-nitrophenyl)-5-[4-(propyloxy)phenyl]-1,3,4-oxadiazole","","- C17 H14 Cl N3 O4 -","- C17 H14 Cl N3 O4 -","- C34 H28 Cl2 N6 O8 -","2","1","SU4093","Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter","2-(4-Chloro-2-nitrophenyl)-5-[4-(propyloxy)phenyl]-1,3,4-oxadiazole","IUCrData","2016","1","11","x161782","","10.1107/S241431461601782X","","","0.71073","MoKα","","0.0464","0.0358","","","0.091","0.0978","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544579","11.518","0.005","25.095","0.005","23.137","0.005","90","","98.217","0.005","90","","6619","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4'-Phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc(II) unknown solvate","","- C23 H15 N5 S2 Zn -","- C23 H15 N5 S2 Zn -","- C276 H180 N60 S24 Zn12 -","12","3","","Wang, An-ran; Wang, Cong; Li, Sheng-Li","(4'-Phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc(II) unknown solvate","IUCrData","2016","1","11","x161758","","10.1107/S2414314616017582","","","0.71069","MoKα","","0.1614","0.0797","","","0.1821","0.2133","","","","","","0.98","","","","has coordinates,has Fobs","188499","2020-10-21","18:00:00",""
"1544580","8.1948","0.0009","9.563","0.0011","9.7528","0.0011","68.106","0.001","73.141","0.001","85.379","0.001","678.37","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","9-Butyl-3-nitro-9<i>H</i>-carbazole","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Ping, Zhang; Ting, Zhang; Song, Chang-Chun","9-Butyl-3-nitro-9<i>H</i>-carbazole","IUCrData","2016","1","11","x161776","","10.1107/S2414314616017764","","","0.71073","MoKα","","0.0445","0.0392","","","0.1081","0.1125","","","","","","1.086","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544581","3.7072","0.0003","11.4251","0.0009","14.3713","0.0013","70.748","0.004","88.425","0.005","83.284","0.005","570.68","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate monohydrate","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","HB4089","Eltayeb, Naser Eltaher","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate monohydrate","IUCrData","2016","1","11","x161741","","10.1107/S2414314616017417","","","0.71073","MoKα","","0.074","0.0486","","","0.1075","0.1192","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544582","21.598","0.0006","7.0666","0.0002","13.3909","0.0004","90","","105.031","0.002","90","","1973.85","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-tetradecylamino-4<i>H</i>-1,2,4-triazol-1-ium chloride","","- C16 H34 Cl N5 -","- C16 H34 Cl N5 -","- C64 H136 Cl4 N20 -","4","1","HB4094","El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","4-Amino-5-tetradecylamino-4<i>H</i>-1,2,4-triazol-1-ium chloride","IUCrData","2016","1","11","x161819","","10.1107/S2414314616018198","","","1.54178","CuKα","","0.0596","0.0443","","","0.1108","0.1211","","","","","","1.069","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544583","9.948","0.008","9.955","0.007","12.043","0.009","66.38","0.03","82.99","0.04","61.08","0.02","952.6","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~3~-5-hydroxyisophthalato)[μ~2~-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)]copper]","","- C20 H14 Cu N4 O5 -","- C20 H14 Cu N4 O5 -","- C40 H28 Cu2 N8 O10 -","2","1","","Tao, Hong-Hong; Chen, Yu-Han; Liu, Ya-Sai; Deji, Zhuo-Ga","Poly[(μ~3~-5-hydroxyisophthalato)[μ~2~-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)]copper]","IUCrData","2016","1","11","x161802","","10.1107/S2414314616018022","","","0.71073","MoKα","","0.0832","0.0547","","","0.116","0.1301","","","","","","1.039","","","","has coordinates,has Fobs","188503","2020-10-21","18:00:00",""
"1544584","3.9166","0.0003","16.6608","0.0011","18.8096","0.0014","90","","93.232","0.007","90","","1225.44","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-Ethoxy-4-fluorophenyl)-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","","- C13 H11 F N4 O -","- C13 H11 F N4 O -","- C52 H44 F4 N16 O4 -","4","1","VM4017","Gilandoust, Maryam; Harsha, K. B.; Madan Kumar, S.; Rakesh, K. S.; Lokanath, N. K.; Byrappa, K.; Rangappa, K. S.","5-(2-Ethoxy-4-fluorophenyl)-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","IUCrData","2016","1","11","x161770","","10.1107/S2414314616017703","","","0.71073","MoKα","","0.0878","0.0611","","","0.1527","0.1817","","","","","","1.082","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544585","7.683","0.005","17.309","0.006","11.172","0.005","90","","109.26","0.005","90","","1402.6","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylpyridinium 2-carboxy-6-nitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","HB4095","Devi, S. Reena; Kalaiyarasi, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylpyridinium 2-carboxy-6-nitrobenzoate","IUCrData","2016","1","11","x161803","","10.1107/S2414314616018034","","","0.71073","MoKα","","0.1051","0.0543","","","0.1276","0.1527","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544586","12.957","0.002","5.3621","0.001","14.44","0.003","90","","109.548","0.002","90","","945.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9<i>H</i>-Carbazole-9-carbaldehyde","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","2","","Wang, Cong; Wang, An-Ran; Li, Sheng-Li","9<i>H</i>-Carbazole-9-carbaldehyde","IUCrData","2016","1","11","x161757","","10.1107/S2414314616017570","","","0.71073","MoKα","","0.0299","0.0288","","","0.0746","0.0756","","","","","","1.069","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544587","9.7056","0.0006","7.7663","0.0005","20.262","0.0009","90","","93.49","0.002","90","","1524.45","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[3-Methyl-1-phenyl-1-(1<i>H</i>-tetrazol-1-yl)butan-2-yl]acetamide","","- C14 H19 N5 O -","- C14 H19 N5 O -","- C56 H76 N20 O4 -","4","1","RZ4006","Geetha, Selvaraj; Yuva Priya, Muniraj Krishnaveni; Chandralekha, Kuppan; Thennarasu, Sathiah; Lakshmi, Srinivasakannan","<i>N</i>-[3-Methyl-1-phenyl-1-(1<i>H</i>-tetrazol-1-yl)butan-2-yl]acetamide","IUCrData","2016","1","11","x161810","","10.1107/S2414314616018101","","","0.71073","MoKα","","0.07","0.0471","","","0.118","0.1344","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544626","21.8833","0.0008","5.7007","0.0002","16.8054","0.0006","90","","100.234","0.001","90","","2063.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-2-Benzylidene-4-[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C25 H20 N4 O S -","- C25 H20 N4 O S -","- C100 H80 N16 O4 S4 -","4","1","TK4023","Sebbar, Nada Kheira; Ellouz, Mohamed; Boulhaoua, Mohammed; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","(2<i>Z</i>)-2-Benzylidene-4-[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2016","1","11","x161823","","10.1107/S241431461601823X","","","1.54178","CuKα","","0.0679","0.0603","","","0.1491","0.154","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544627","8.678","0.002","7.9332","0.0014","8.734","0.0018","90","","98.62","0.02","90","","594.5","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-Dichloro-3<i>H</i>-1,2-dithiol-3-one","","- C3 Cl2 O S2 -","- C3 Cl2 O S2 -","- C12 Cl8 O4 S8 -","4","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","4,5-Dichloro-3<i>H</i>-1,2-dithiol-3-one","IUCrData","2016","1","11","x161820","","10.1107/S2414314616018204","","","0.71073","MoKα","","0.0359","0.032","","0.0938","0.0858","0.0938","","","","","","0.992","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544628","4.0062","0.0009","10.739","0.002","17.178","0.003","90","","95.237","0.018","90","","736","0.3","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 S3 -","- C7 H4 S3 -","- C28 H16 S12 -","4","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","A second polymorph of 3<i>H</i>-1,2-benzodithiole-3-thione","IUCrData","2016","1","11","x161799","","10.1107/S2414314616017995","","","0.71073","MoKα","","0.0616","0.046","","0.1012","0.0834","0.1012","","","","","","1.0147","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544650","9.362","0.0003","17.7187","0.0007","22.1796","0.0009","90","","90","","90","","3679.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxybenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","","- C43 H35 O4 P Sn -","- C43 H35 O4 P Sn -","- C172 H140 O16 P4 Sn4 -","4","1","WM4029","Seye, Dame; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Renald, David","(2-Hydroxybenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","IUCrData","2016","1","11","x161840","","10.1107/S241431461601840X","","","0.71073","MoKα","","0.0648","0.0369","","","0.0566","0.0627","","","","","","1.048","","","","has coordinates,has Fobs","188631","2020-10-21","18:00:00",""
"1544651","8.9169","0.0002","17.636","0.0005","11.7937","0.0003","90","","109.199","0.001","90","","1751.51","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>S</i>,4<i>S</i>)-1-Benzyl-3-hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","BH4019","Rida, Mohammed; El Bakri, Youness; Doumbia, Mohamadou Lamine; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-3-hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","11","x161849","","10.1107/S2414314616018496","","","1.54178","CuKα","","0.0353","0.033","","","0.0892","0.092","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544652","29.1709","0.0014","11.2898","0.0005","20.0517","0.001","90","","131.163","0.001","90","","4971.5","0.4","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) chloride chloroform monosolvate hemihydrate","","- C21 H20 Cl5 N4 Ni O1.5 -","- C21 H19 Cl5 N4 Ni O1.5 -","- C168 H152 Cl40 N32 Ni8 O12 -","8","1","WM5333","Vasileiadou, Eugenia; Angaridis, Panagiotis A.; Raptis, Raphael G.; Mathivathanan, Logesh","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) chloride chloroform monosolvate hemihydrate","IUCrData","2016","1","11","x161834","","10.1107/S2414314616018344","","","0.71073","MoKα","","0.0786","0.0522","","","0.1274","0.1395","","","","","","1.05","","","","has coordinates,has Fobs","188633","2020-10-21","18:00:00",""
"1544653","5.8948","0.0001","17.7215","0.0004","22.0042","0.0005","90","","90","","90","","2298.66","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","","- C24 H24 N4 O S2 -","- C24 H24 N4 O S2 -","- C96 H96 N16 O4 S8 -","4","1","SJ4068","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; El-Emary, Talaat I.; R.Albayati, Mustafa","3-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","IUCrData","2016","1","11","x161835","","10.1107/S2414314616018356","","","1.54178","CuKα","","0.0751","0.0441","","","0.0974","0.1156","","","","","","1.03","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544654","11.6675","0.0006","33.682","0.002","13.3653","0.0007","90","","94.184","0.004","90","","5238.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane","","- C60 H50 Cl2 Si5 -","- C60 H50 Cl2 Si5 -","- C240 H200 Cl8 Si20 -","4","1","ZS4003","Neumeyer, Felix; Kotil, Leyla; Auner, Norbert; Bolte, Michael","1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane","IUCrData","2016","1","11","x161812","","10.1107/S2414314616018125","","","0.71073","MoKα","","0.0779","0.0703","","","0.1841","0.189","","","","","","1.098","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544662","14.762","0.0004","7.3509","0.0002","17.9987","0.0005","90","","106.936","0.001","90","","1868.41","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Amino-3-[2-(9<i>H</i>-carbazol-9-yl)ethyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","","- C18 H21 N5 O S2 -","- C18 H21 N5 O S2 -","- C72 H84 N20 O4 S8 -","4","1","WM4033","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","4-Amino-3-[2-(9<i>H</i>-carbazol-9-yl)ethyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","IUCrData","2016","1","11","x161855","","10.1107/S2414314616018551","","","1.54178","CuKα","","0.0476","0.0455","","","0.1236","0.1253","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544663","13.4306","0.0013","7.3467","0.0007","21.643","0.002","90","","103.299","0.001","90","","2078.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[({5-[(4-Methylphenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)methyl]-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole","","- C23 H20 N6 O S -","- C23 H20 N6 O S -","- C92 H80 N24 O4 S4 -","4","1","XU4019","Mohamed, Shaaban K.; Al-Taifi, Elham A.; Akkurt, Mehmet; Mague, Joel T.; Bakhit, Etiafy M.","1-[({5-[(4-Methylphenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)methyl]-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole","IUCrData","2016","1","11","x161867","","10.1107/S2414314616018678","","","0.71073","MoKα","","0.0526","0.0414","","","0.1113","0.1171","","","","","","1.089","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544691","19.6758","0.0008","12.9382","0.0005","21.1306","0.0009","90","","117.513","0.001","90","","4770.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10-Ethyl-3,7-bis[(4-methylphenyl)carbonyl]phenothiazine","(10-Ethyl-10<i>H</i>-phenothiazine-3,7-diyl)bis(<i>p</i>-tolylmethanone)","","- C30 H25 N O2 S -","- C30 H25 N O2 S -","- C240 H200 N8 O16 S8 -","8","2","SU4092","Hemanathan, Karunakaran; Ravivarma, Mahalingam; Satheeshkumar, Chinnadurai; Rajakumar, Perumal; Sakthi Murugesan, K.","(10-Ethyl-10<i>H</i>-phenothiazine-3,7-diyl)bis(<i>p</i>-tolylmethanone)","IUCrData","2016","1","11","x161838","","10.1107/S2414314616018381","","","0.71073","MoKα","","0.0728","0.0458","","","0.1177","0.1409","","","","","","1.033","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544692","11.0177","0.0015","7.8508","0.0011","29.691","0.004","90","","90","","90","","2568.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C120 H112 N16 S8 -","8","1","SJ4063","Tang, Yi-Wen; Wang, Jing-Hang; Xie, Qing-Yuan; Wang, Quan; Wu, Jie-Ying","4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","IUCrData","2016","1","11","x161847","","10.1107/S2414314616018472","","","0.71073","MoKα","","0.0632","0.0426","","","0.131","0.1535","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544693","5.519","0.002","21.594","0.008","9.917","0.004","90","","90.405","0.005","90","","1181.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","SU4096","Rida, Mohammed; El Bakri, Youness; Doumbia, Mohamadou Lamine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one: <i>cis</i> isomer","IUCrData","2016","1","11","x161879","","10.1107/S2414314616018794","","","0.71073","MoKα","","0.1158","0.0838","","","0.1967","0.2114","","","","","","1.095","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544694","11.5227","0.0001","25.5293","0.0003","12.4749","0.0001","90","","90.038","0.001","90","","3669.7","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-<i>b</i>]benzo[<i>h</i>]quinoline-9-carboxylate","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C176 H144 N16 O24 S8 -","8","2","ZP4010","Bakhite, Etify A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Albayati, Mustafa R.","Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-<i>b</i>]benzo[<i>h</i>]quinoline-9-carboxylate","IUCrData","2016","1","11","x161884","","10.1107/S2414314616018848","","","1.54184","CuKα","","0.0478","0.0424","","","0.1147","0.1206","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1544695","4.2159","0.0001","16.773","0.0005","19.4656","0.0005","90","","91.149","0.001","90","","1376.2","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-2,3-bis[(prop-2-yn-1-yl)sulfanyl]pyrido[2,3-<i>b</i>]pyrazine","","- C13 H8 Br N3 S2 -","- C13 H8 Br N3 S2 -","- C52 H32 Br4 N12 S8 -","4","1","SJ4070","Sikine, Meriem; Mague, Joel T.; Kandri Rodi, Youssef; Essassi, El Mokhtar; Ouzidan, Younes","7-Bromo-2,3-bis[(prop-2-yn-1-yl)sulfanyl]pyrido[2,3-<i>b</i>]pyrazine","IUCrData","2016","1","11","x161881","","10.1107/S2414314616018812","","","1.54178","CuKα","","0.0354","0.0325","","","0.0839","0.0857","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1544696","5.5382","0.0002","28.864","0.0013","6.6112","0.0003","90","","111.935","0.001","90","","980.32","0.07","106","2","106","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-Dibromo-3-phenylpropanoic acid","","- C9 H8 Br2 O2 -","- C9 H8 Br2 O2 -","- C36 H32 Br8 O8 -","4","1","SU4098","Howard, Trent R.; Mendez-deMello, Kaleh A.; Cardenas, Allan Jay P.","2,3-Dibromo-3-phenylpropanoic acid: a monoclinic polymorph","IUCrData","2016","1","11","x161885","","10.1107/S241431461601885X","","","0.71073","MoKα","","0.0356","0.0329","","","0.0904","0.0925","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1544697","17.6487","0.0008","8.8259","0.0003","18.973","0.0008","90","","93.616","0.002","90","","2949.5","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Diisopropylammonium (3,6-dichlorobenzene-1,2-dithiolato)cuprato(III) tetrahydrofuran monosolvate","","- C22 H28 Cl4 Cu N O S4 -","- C22 H28 Cl4 Cu N O S4 -","- C88 H112 Cl16 Cu4 N4 O4 S16 -","4","1","SU4095","Barrio, Jesús; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Diisopropylammonium (3,6-dichlorobenzene-1,2-dithiolato)cuprato(III) tetrahydrofuran monosolvate","IUCrData","2016","1","11","x161883","","10.1107/S2414314616018836","","","0.71073","MoKα","","0.0656","0.0368","","","0.0845","0.0959","","","","","","1.009","","","","has coordinates,has Fobs","188759","2020-10-21","18:00:00",""
"1544709","9.0504","0.0002","9.0612","0.0001","14.3565","0.0002","90","","90","","90","","1177.34","0.03","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-[2-(2-Amino-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C48 H56 N16 O8 -","4","1","","Bouayyadi, Abdellatif; Moussaif, Ahmed; Mesfioui, Abdelhalim; Mzibri, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","3-[2-(2-Amino-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one","IUCrData","2016","1","12","x161895","","10.1107/S2414314616018952","","","0.71073","MoKα","","0.0388","0.0354","","","0.0965","0.0995","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544710","4.4865","0.0002","15.7001","0.0005","13.6313","0.0005","90","","91.481","0.002","90","","959.85","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[di-μ~2~-acetato-κ^4^<i>O</i>:<i>O</i>'-μ~3~-thiourea-κ^3^<i>S</i>:<i>S</i>:<i>S</i>-lead(II)]","","- C5 H10 N2 O4 Pb S -","- C5 H10 N2 O4 Pb S -","- C20 H40 N8 O16 Pb4 S4 -","4","1","SJ4071","Zouihri, Hafid; Ait Mouha, Mbark; Ba Mohamed, Bouchra; Yamni, Khalid; Tijani, Najib","Poly[di-μ~2~-acetato-κ^4^<i>O</i>:<i>O</i>'-μ~3~-thiourea-κ^3^<i>S</i>:<i>S</i>:<i>S</i>-lead(II)]: a redetermination","IUCrData","2016","1","12","x161892","","10.1107/S2414314616018927","","","0.71073","MoKα","","0.0162","0.0153","","","0.0368","0.0371","","","","","","1.075","","","","has coordinates,has Fobs","189976","2020-10-21","18:00:00",""
"1544762","14.315","","8.311","","8.914","","90","","120.651","","90","","912.35","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","Jain, Prashant; Stroppa, Alessandro; Nabok, Dmitrii; Marino, Antigone; Rubano, Andrea; Paparo, Domenico; Matsubara, Masakazu; Nakotte, Heinz; Fiebig, Manfred; Picozzi, Silvia; Eun Sang Choi; Anthony K Cheetham; Claudia Draxl; Naresh S Dalal; Vivien S Zapf","Switchable electric polarization and ferroelectric domains in a metal-organic-framework","npj Quantum Materials","2016","1","","16012","","10.1038/npjquantmats.2016.12","powder diffraction","","","","","","","","","","","","","4.01","","","","","","","has coordinates","189028","2020-10-21","18:00:00",""
"1544763","15.869","0.003","9.991","0.002","12.328","0.003","90","","117.79","0.03","90","","1729.1","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl 4,4'-(dimethylsilanediyl)dibenzoate","","- C18 H20 O4 Si -","- C18 H20 O4 Si -","- C72 H80 O16 Si4 -","4","0.5","HB4082","Zhang, Lingling; Xia, Yan; Li, Dongfeng; Hou, Ruibin","Dimethyl 4,4'-(dimethylsilanediyl)dibenzoate","IUCrData","2016","1","12","x161887","","10.1107/S2414314616018873","","","0.71073","MoKα","","0.0502","0.0436","","","0.1255","0.13","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544764","15.4222","0.0005","27.9355","0.0009","26.9314","0.0009","90","","93.4633","0.0013","90","","11581.6","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-κ<i>P</i>]-3,5-di-<i>tert</i>-butylphenyl-κ<i>C</i>^1^}{3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-κ<i>P</i>]biphenyl}rhodium(I) toluene-<i>d</i>~8~ 2.7-solvate","","- C134.9 H151.6 O11 P3 Rh -","- C134.9 H151.6 O11 P3 Rh -","- C539.6 H606.4 O44 P12 Rh4 -","4","1","RZ4007","Selent, Detlef; Spannenberg, Anke; Börner, Armin","{2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-κ<i>P</i>]-3,5-di-<i>tert</i>-butylphenyl-κ<i>C</i>^1^}{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-κ<i>P</i>]biphenyl}rhodium(I) toluene-<i>d</i>~8~ 2.7-solvate","IUCrData","2016","1","12","x161914","","10.1107/S2414314616019143","","","0.71073","MoKα","","0.0551","0.0428","","","0.1098","0.12","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","189035","2020-10-21","18:00:00",""
"1544765","10.4566","0.0002","5.9821","0.0001","12.204","0.0003","90","","97.46","0.001","90","","756.93","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate","","- C16 H18 O4 -","- C16 H18 O4 -","- C32 H36 O8 -","2","1","BV4006","Sharmila, N.; Sundar, T. V.; Sakthivel, P.; Venkatesan, P.","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate","IUCrData","2016","1","12","x161924","","10.1107/S2414314616019246","","","0.71073","MoKα","","0.0638","0.042","","","0.1075","0.1215","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544766","8.6944","0.0001","8.6944","0.0001","35.2843","0.0007","90","","90","","90","","2667.23","0.07","100","1","100","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","2-Amino-5-bromopyridinium 2-phenoxyacetate","","- C13 H13 Br N2 O3 -","- C13 H13 Br N2 O3 -","- C104 H104 Br8 N16 O24 -","8","1","IS5465","Dhanabalan, Nallathambi; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Santhanaraj, K. Joseph; Razak, Ibrahim Abdul","2-Amino-5-bromopyridinium 2-phenoxyacetate","IUCrData","2016","1","12","x161939","","10.1107/S2414314616019398","","","0.71073","MoKα","","0.0626","0.0423","","","0.0679","0.0779","","","","","","1.165","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544767","6.1364","0.0005","5.1034","0.0004","25.458","0.003","90","","95.937","0.008","90","","792.98","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Nitrophenyl)acetic acid","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","HB4100","Kennedy, Alan R.; Silva de Moraes, Lygia","A monoclinic polymorph of 2-(4-nitrophenyl)acetic acid","IUCrData","2016","1","12","x161932","","10.1107/S2414314616019325","","","0.71073","MoKα","","0.1091","0.0536","","","0.1059","0.1302","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544768","7.2438","0.0004","13.998","0.0008","20.1035","0.0011","81.913","0.002","86.409","0.002","78.801","0.002","1978.46","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,2,3]selenadiazol]-3-ium iodide triiodide (3/2/1)","","- C27 H45 I5 N6 Se3 -","- C27 H45 I5 N6 Se3 -","- C54 H90 I10 N12 Se6 -","2","1","","Schollmeyer, Dieter; Detert, Heiner","3-Methyl-4,5,6,7,8,9-hexahydrocycloocta[<i>d</i>][1,2,3]selenadiazol]-3-ium iodide triiodide (3/2/1)","IUCrData","2016","1","12","x161950","","10.1107/S2414314616019507","","","0.71073","MoKα","","0.0668","0.0569","","","0.144","0.1486","","","","","","1.162","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544769","7.467","0.0002","8.8307","0.0003","10.5426","0.0003","106.833","0.002","108.557","0.002","99.42","0.002","605.2","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C24 H28 N4 O8 -","2","1","SU4105","Novina, J. J.; Vasuki, G.; Suresh, M.; Viswanathan, Vijayan; Velmurugan, Devadasan","Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate: a triclinic polymorph","IUCrData","2016","1","12","x161937","","10.1107/S2414314616019374","","","0.71073","MoKα","","0.0476","0.0415","","","0.117","0.1228","","","","","","1.078","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544770","5.0941","0.001","22.946","0.005","15.831","0.003","90","","96.229","0.004","90","","1839.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Cl2 Hg N3 -","- C19 H11 Cl2 Hg N3 -","- C76 H44 Cl8 Hg4 N12 -","4","1","","Zhang, Peng; Yang, Qi; Zhao, Minjian","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-3,5-bis[2-(pyridin-4-yl)ethynyl]pyridine-κ^2^<i>N</i>:<i>N</i>']","IUCrData","2016","1","12","x161951","","10.1107/S2414314616019519","","","0.71073","MoKα","","0.0462","0.0332","","","0.0752","0.079","","","","","","0.971","","","","has coordinates,has Fobs","189041","2020-10-21","18:00:00",""
"1544771","7.8989","0.0003","8.088","0.0003","8.2052","0.0003","90.297","0.002","113.319","0.002","98.488","0.002","474.94","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","9-Ethyl-6-methyl-7<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-one","","- C8 H11 N5 O -","- C8 H11 N5 O -","- C16 H22 N10 O2 -","2","1","","El Bakri, Youness; Harmaoui, Abdallah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","9-Ethyl-6-methyl-7<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-one","IUCrData","2016","1","12","x161897","","10.1107/S2414314616018976","","","0.71073","MoKα","","0.0537","0.045","","","0.1238","0.1325","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1544772","12.744","0.0008","11.482","0.0007","12.8707","0.0008","90","","118.234","0.001","90","","1659.25","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydrobenz[4,5]imidazo[2,1-<i>b</i>]thiazole","","- C9 H8 N2 S -","- C9 H8 N2 S -","- C72 H64 N16 S8 -","8","2","SU4107","Moussaif, Ahmed; Ramli, Youssef; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","2,3-Dihydrobenz[4,5]imidazo[2,1-<i>b</i>]thiazole","IUCrData","2016","1","12","x161948","","10.1107/S2414314616019489","","","0.71073","MoKα","","0.0822","0.0459","","","0.1182","0.1336","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544773","11.856","0.0006","11.8836","0.0006","6.8348","0.0004","90","","92.044","0.001","90","","962.36","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-4-(prop-2-yn-1-yloxy)benzaldehyde","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Ezhilarasu, Tamilarasu; Balasubramanian, Sengottuvelan","3-Methoxy-4-(prop-2-yn-1-yloxy)benzaldehyde","IUCrData","2016","1","12","x161919","","10.1107/S2414314616019192","","","0.71073","MoKα","","0.0476","0.0352","","","0.0831","0.0934","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544774","6.6849","0.0003","8.9428","0.0005","10.7445","0.0005","103.935","0.003","95.015","0.004","96.86","0.003","614.44","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(3<i>Z</i>)-3-Benzylidene-1<i>H</i>-benzimidazo[1,2-<i>a</i>]imidazol-2(3<i>H</i>)-one","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C32 H22 N6 O2 -","2","1","SJ4073","Rida, Mohammed; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(3<i>Z</i>)-3-Benzylidene-1<i>H</i>-benzimidazo[1,2-<i>a</i>]imidazol-2(3<i>H</i>)-one","IUCrData","2016","1","12","x161908","","10.1107/S2414314616019088","","","1.54178","CuKα","","0.0617","0.0468","","","0.1108","0.1364","","","","","","1.086","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544777","7.1482","0.0015","10.306","0.002","19.705","0.004","90","","99.711","0.003","90","","1430.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2<i>E</i>)-3-dimethylamino-2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)prop-2-enoate","","- C13 H17 N5 O2 -","- C13 H17 N5 O2 -","- C52 H68 N20 O8 -","4","1","IS4013","Lahmidi, Sanae; Sebbar, Nada Kheira; Harmaoui, Abdallah; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","Ethyl (2<i>E</i>)-3-dimethylamino-2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)prop-2-enoate","IUCrData","2016","1","12","x161946","","10.1107/S2414314616019465","","","0.71073","MoKα","","0.0794","0.0464","","","0.1361","0.1452","","","","","","0.868","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544778","7.2771","0.0005","9.9612","0.0007","11.9257","0.0008","78.778","0.001","75.616","0.001","72.829","0.001","793.16","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(5<i>Z</i>)-3-(2-Oxopropyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione","","- C16 H17 N O6 S -","- C16 H17 N O6 S -","- C32 H34 N2 O12 S2 -","2","1","HG4018","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Kashef, Hussein; Lebegue, Nicolas; Albayati, Mustafa R.","(5<i>Z</i>)-3-(2-Oxopropyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione","IUCrData","2016","1","12","x161959","","10.1107/S2414314616019593","","","0.71073","MoKα","","0.0416","0.0371","","","0.1085","0.111","","","","","","1.124","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544779","3.9511","0.0004","14.3306","0.0011","11.367","0.001","90","","94.574","0.008","90","","641.57","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Bromo-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","","- C5 H3 Br N4 -","- C5 H3 Br N4 -","- C20 H12 Br4 N16 -","4","1","SJ4072","Gilandoust, Maryam; Harsha, K. B.; Madan Kumar, S.; Rakesh, K. S.; Lokanath, N. K.; Byrappa, K.; Rangappa, K. S.","5-Bromo-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","IUCrData","2016","1","12","x161944","","10.1107/S2414314616019441","","","0.71073","MoKα","","0.0494","0.0407","","","0.1047","0.1111","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544789","7.373","0.0006","10.7698","0.0007","17.1056","0.0012","90","","90","","90","","1358.28","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Benzyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","SJ4077","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Hassan, Alaa A.; Abdel-Aziz, Ahmed T.; Albayati, Mustafa R.","4-Benzyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","IUCrData","2016","1","12","x161968","","10.1107/S2414314616019684","","","1.54184","CuKα","","0.0801","0.0556","","","0.1231","0.1378","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544790","11.8139","0.0012","7.4803","0.0011","15.5204","0.001","90","","96.766","0.008","90","","1362","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-Tetrakis{[(pyridin-2-yl)sulfanyl]methyl}pyrazine","","- C28 H24 N6 S4 -","- C28 H24 N6 S4 -","- C56 H48 N12 S8 -","2","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","2,3,5,6-Tetrakis{[(pyridin-2-yl)sulfanyl]methyl}pyrazine","IUCrData","2016","1","12","x161977","","10.1107/S2414314616019775","","","0.71073","MoKα","","0.1242","0.0691","","","0.1052","0.1295","","","","","","1.139","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544791","14.6973","0.0007","5.9179","0.0003","19.8537","0.0009","90","","93.461","0.001","90","","1723.67","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","VM4019","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; Lahmidi, Sanae; El Hafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2016","1","12","x161988","","10.1107/S241431461601988X","","","0.71073","MoKα","","0.059","0.0438","","","0.129","0.1389","","","","","","1.069","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544792","13.6507","0.0008","18.8828","0.0011","14.5033","0.0008","90","","103.279","0.005","90","","3638.5","0.4","248","2","248","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis{5-[bis(propan-2-yloxy)phosphoryl]thiophen-2-yl}-2,5-dipropoxybenzene","","- C32 H48 O8 P2 S2 -","- C32 H48 O8 P2 S2 -","- C128 H192 O32 P8 S8 -","4","1","BT4033","Detert, Heiner; Schollmeyer, Dieter","1,4-Bis{5-[bis(propan-2-yloxy)phosphoryl]thiophen-2-yl}-2,5-dipropoxybenzene","IUCrData","2016","1","12","x161963","","10.1107/S2414314616019635","","","0.71073","MoKα","","0.2121","0.0914","","","0.2383","0.3037","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","189170","2020-10-21","18:00:00",""
"1544793","19.5024","0.0009","8.7503","0.0004","11.65","0.0006","90","","100.846","0.002","90","","1952.58","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","t(3)-Benzyl-r(2),c(6)-diphenylpiperidin-4-one oxime","3-Benzyl-2,6-diphenylpiperidin-4-one oxime","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","SU4109","Arulraj, R.; Sivakumar, S.; Thiruvalluvar, A.; Manimekalai, A.","<i>t</i>-3-Benzyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one oxime","IUCrData","2016","1","12","x161982","","10.1107/S2414314616019829","","","1.54178","CuKα","","0.0503","0.0439","","","0.1156","0.1237","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544794","15.204","0.0009","6.7388","0.0003","13.0699","0.0008","90","","107.951","0.007","90","","1273.91","0.13","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","manganese(II) <i>p</i>-arsanilate decahydrate","Hexaaquamanganese(II) bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate","","- C12 H34 As2 Mn N2 O16 -","- C12 H34 As2 Mn N2 O16 -","- C24 H68 As4 Mn2 N4 O32 -","2","0.5","BT4034","Smith, Graham; Wermuth, Urs D.","Hexaaquamanganese(II) bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate","IUCrData","2016","1","12","x161985","","10.1107/S2414314616019854","","","0.71073","MoKα","","0.0351","0.0272","","","0.0635","0.0679","","","","","","1.022","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544816","21.1444","0.0014","7.697","0.0005","21.2671","0.0014","90","","118.073","0.001","90","","3054","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-{6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl}acetate","","- C16 H14 Br N3 O2 -","- C16 H14 Br N3 O2 -","- C128 H112 Br8 N24 O16 -","8","2","SU4112","Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar","Ethyl 2-(6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl)acetate","IUCrData","2016","1","12","x161999","","10.1107/S2414314616019994","","","0.71073","MoKα","","0.043","0.0307","","","0.0755","0.0803","","","","","","1.035","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544817","6.2796","0.0012","9.6912","0.0018","21.152","0.004","90","","95.294","0.003","90","","1281.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-3-(3-methylisoxazol-5-yl)-4-oxo-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-1-ium chloride","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C52 H48 Cl4 N12 O8 -","4","1","HB4105","Lahmidi, Sanae; El Ouasif, Latifa; Jilalat, Alae Eddine; Al-Garadi, Wedad; Essassi, El Mokhtar; Mague, Joel T.","2-Methyl-3-(3-methylisoxazol-5-yl)-4-oxo-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-1-ium chloride","IUCrData","2016","1","12","x161978","","10.1107/S2414314616019787","","","0.71073","MoKα","","0.0911","0.0637","","","0.1763","0.1921","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","189280","2020-10-21","18:00:00",""
"1544818","23.3174","0.0007","8.2979","0.0002","7.226","0.0002","90","","90.899","0.001","90","","1397.95","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-3,5-dimethyl-2-[(3-nitrophenyl)ethenyl]pyridine","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","BH4020","El Bakri, Youness; Ramli, Youssef; Harmaoui, Abdallah; Sebhaoui, Jihad; Essassi, El Mokhtar; Mague, Joel T.","(<i>E</i>)-4-Methoxy-3,5-dimethyl-2-[(3-nitrophenyl)ethenyl]pyridine","IUCrData","2016","1","12","x161966","","10.1107/S2414314616019660","","","1.54178","CuKα","","0.0457","0.0391","","","0.0987","0.1036","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544819","15.9745","0.0006","25.7276","0.001","7.4153","0.0003","90","","90","","90","","3047.6","0.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(2<i>E</i>)-3-Anilino-1-(2-chlorophenyl)-3-(methylsulfanyl)prop-2-en-1-one","","- C16 H14 Cl N O S -","- C16 H14 Cl N O S -","- C128 H112 Cl8 N8 O8 S8 -","8","1","HB4098","Ravi, A. J.; Vinayaka, A. C.; Kumar, Shamantha; Sadashiva, M. P.; Devarajegowda, H. C.","(2<i>E</i>)-3-Anilino-1-(2-chlorophenyl)-3-(methylsulfanyl)prop-2-en-1-one","IUCrData","2016","1","12","x161994","","10.1107/S2414314616019945","","","1.54178","CuKα","","0.0497","0.0478","","","0.1309","0.1331","","","","","","1.062","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544820","8.715","0.005","7.301","0.004","12.113","0.006","90","","101.209","0.009","90","","756","0.7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6-isopropyl-2<i>H</i>-chromen-2-one","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C32 H34 N6 O6 -","2","1","TK4026","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M.","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6-isopropyl-2<i>H</i>-chromen-2-one","IUCrData","2016","1","12","x161989","","10.1107/S2414314616019891","","","0.71073","MoKα","","0.0655","0.0579","","","0.1645","0.1733","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1544821","9.2491","0.0005","18.1423","0.001","14.3719","0.0007","90","","96.61","0.003","90","","2395.6","0.2","296","2","296.15","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","2","SJ4079","Boukharsa, Youness; Abba Touré, Hamadoun; Taoufik, Jamal; Benzeid, Hanane; Ansar, M'hammed","(<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid","IUCrData","2016","1","12","x162003","","10.1107/S2414314616020034","","","0.71073","MoKα","","0.078","0.0512","","","0.1525","0.1738","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544844","12.7365","0.0007","10.5803","0.0009","18.6662","0.0011","90","","106.531","0.003","90","","2411.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,9-Diethyl-7-ethynyl-<i>N</i>,<i>N</i>-diphenyl-9<i>H</i>-fluoren-2-amine","","- C31 H27 N -","- C31 H27 N -","- C124 H108 N4 -","4","1","SJ4075","Novina, J. J.; Vasuki, G.; Singh, Prachi; Thomas, K. R. Justin","9,9-Diethyl-7-ethynyl-<i>N</i>,<i>N</i>-diphenyl-9<i>H</i>-fluoren-2-amine","IUCrData","2016","1","12","x162006","","10.1107/S241431461602006X","","","0.71073","MoKα","","0.1211","0.0548","","","0.1446","0.1808","","","","","","0.984","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544845","6.2439","0.0002","7.9982","0.0003","27.0113","0.001","90","","90","","90","","1348.94","0.08","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Methoxy-2-<i>p</i>-tolyl-4<i>H</i>-chromen-4-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","HB4104","Koh, Dongsoo","3-Methoxy-2-<i>p</i>-tolyl-4<i>H</i>-chromen-4-one","IUCrData","2016","1","12","x162019","","10.1107/S2414314616020198","","","0.71073","MoKα","","0.0663","0.0406","","","0.0924","0.1037","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545073","7.03255","0.00003","5.86684","0.00002","9.3856","0.00004","90","","90","","90","","387.239","0.003","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag Ca O4 V -","- Ag Ca O4 V -","- Ag4 Ca4 O16 V4 -","4","0.5","","PANalytical","AgCaVO4 : structure solution from a benchtop X-ray powder diffractometer","Aeris Research Edition","2017","1","","1","2","","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","190700","2020-10-21","18:00:00",""
"1545194","23.445","0.003","26.734","0.003","28.033","0.004","90","","90","","90","","17570","4","80","2","80","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C93.5 H186.96 N36.71 O45.36 P Pt6 -","- C93.5 H131.5 N36.71 O45.37 P Pt6 -","- C374 H526 N146.84 O181.48 P4 Pt24 -","4","1","","Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto","Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts","Nature Chemistry","2009","1","1","53","","10.1038/nchem.100","","","0.71073","MoKα","","0.2065","0.0742","","","0.1899","0.2604","","","","","","1.009","","","","has coordinates,has disorder","191208","2020-10-21","18:00:00",""
"1545195","28.765","0.008","28.765","0.008","28.673","0.008","90","","90","","90","","23725","11","80","2","80","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C152 H239 N64 O97 P2 Pt6 -","- C152 H192 N64 O97 P2 Pt6 -","- C608 H768 N256 O388 P8 Pt24 -","4","0.5","","Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto","Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts","Nature Chemistry","2009","1","1","53","","10.1038/nchem.100","","","0.71073","MoKα","","0.1371","0.0552","","","0.1313","0.1741","","","","","","0.988","","","","has coordinates,has disorder","191209","2020-10-21","18:00:00",""
"1545196","32.247","0.004","32.247","0.004","27.798","0.007","90","","90","","120","","25034","8","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C114 H198 N42 O69 Pt6 -","- C114 H120 N42 O69 Pt6 -","- C684 H720 N252 O414 Pt36 -","6","0.333333","","Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto","Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts","Nature Chemistry","2009","1","1","53","","10.1038/nchem.100","","","0.71073","MoKα","","0.0542","0.0419","","","0.1005","0.1079","","","","","","0.968","","","","has coordinates,has disorder","191210","2020-10-21","18:00:00",""
"1547180","13.3686","0.0005","10.4704","0.0004","8.7799","0.0003","90","","90","","90","","1228.96","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","1","","Simon J Coles; David B Davies; Michael B Hursthouse; Susanne L Huth; Adem Kilic; Mark E Light; Marianne Odlyha; John S Rutherford; Robert A Shaw; Aylin Uslu","Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]","Chemistry Central Journal","2007","1","","20","","10.1186/1752-153X-1-20","","","0.71073","MoKα","","0.0286","0.0253","","","0.0615","0.0631","","","","","","0.922","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547181","13.4804","0.0014","10.6442","0.0009","8.8479","0.0007","90","","90","","90","","1269.6","0.2","274","2","274","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","1","","Simon J Coles; David B Davies; Michael B Hursthouse; Susanne L Huth; Adem Kilic; Mark E Light; Marianne Odlyha; John S Rutherford; Robert A Shaw; Aylin Uslu","Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]","Chemistry Central Journal","2007","1","","20","","10.1186/1752-153X-1-20","","","0.71073","MoKα","","0.038","0.0334","","","0.0871","0.0905","","","","","","1.047","","","","has coordinates","200921","2020-10-21","18:00:00",""
"1547182","10.666","0.002","13.489","0.003","8.8593","0.0018","90","","90","","90","","1274.6","0.5","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","0.5","","Simon J Coles; David B Davies; Michael B Hursthouse; Susanne L Huth; Adem Kilic; Mark E Light; Marianne Odlyha; John S Rutherford; Robert A Shaw; Aylin Uslu","Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]","Chemistry Central Journal","2007","1","","20","","10.1186/1752-153X-1-20","","","0.71073","MoKα","","0.0479","0.0366","","","0.0877","0.0933","","","","","","1.047","","","","has coordinates","200922","2020-10-21","18:00:00",""
"1547248","10.2783","0.0003","13.6919","0.0003","15.4164","0.0004","102.863","0.002","102.187","0.002","108.805","0.002","1905.83","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Pyrimethamine benzene sulfonate monohydrate","'2,4-diamino-5-(p-chlorophenyl)-6-ethylpyrimidinium benzene sulfonate monohydrate'","","- C72 H76 Cl4 N16 O14 S4 -","- C72 H76 Cl4 N16 O12.82 S4 -","- C72 H76 Cl4 N16 O12.82 S4 -","1","0.5","","Kasthuri Balasubramani; Packianathan Thomas Muthiah; Daniel E Lynch","R22(8) motifs in Aminopyrimidine sulfonate/carboxylate interactions: Crystal structures of pyrimethaminium benzenesulfonate monohydrate (2:2:1) and 2-amino-4,6-dimethylpyrimidinium sulfosalicylate dihydrate (4:2:2)","Chemistry Central Journal","2007","1","","28","","10.1186/1752-153X-1-28","","","0.71073","MoKα","","0.0954","0.0509","","","0.1146","0.1314","","","","","","1.057","","","","has coordinates","201067","2020-10-21","18:00:00",""
"1547249","9.2466","0.0002","14.0976","0.0003","17.6365","0.0004","94.028","0.001","101.193","0.001","91.968","0.001","2247","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","tetra(2-amino-4,6-dimethylpyrimidinium) bis(sulfosalicylate) dihydrate","'tetra(2-amino-4,6-dimethylpyrimidinium) bis(sulfosalicylate) dihydrate'","","- C19 H25 N6 O7 S -","- C19 H25 N6 O7 S -","- C76 H100 N24 O28 S4 -","4","2","","Kasthuri Balasubramani; Packianathan Thomas Muthiah; Daniel E Lynch","R22(8) motifs in Aminopyrimidine sulfonate/carboxylate interactions: Crystal structures of pyrimethaminium benzenesulfonate monohydrate (2:2:1) and 2-amino-4,6-dimethylpyrimidinium sulfosalicylate dihydrate (4:2:2)","Chemistry Central Journal","2007","1","","28","","10.1186/1752-153X-1-28","","","0.71073","MoKα","","0.076","0.0592","","","0.1407","0.1518","","","","","","1.084","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548777","8.638","0.001","8.638","0.001","9.262","0.001","90","","90","","120","","598.5","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","","","","- Al11.74 Co4.26 Dy3 -","- Al11.74 Co4.26 Dy3 -","- Al23.48 Co8.52 Dy6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.032","0.0221","","","0.0499","0.0533","","","","","","1.129","","","","has coordinates","205631","2020-10-21","18:00:00",""
"1548778","8.63","0.001","8.63","0.001","9.244","0.001","90","","90","","120","","596.23","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","Er3Co4Al12","","","- Al11.8 Co4.2 Er3 -","- Al11.797 Co4.203 Er3 -","- Al23.594 Co8.406 Er6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.0328","0.0222","","","0.0445","0.0459","","","","","","1.121","","","","has coordinates","205632","2020-10-21","18:00:00",""
"1548779","8.638","0.001","8.638","0.001","9.262","0.001","90","","90","","120","","598.5","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","Ho3Co4Al12","","","- Al11.89 Co4.11 Ho3 -","- Al11.89 Co4.11 Ho3 -","- Al23.78 Co8.22 Ho6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.0608","0.0394","","","0.0904","0.0962","","","","","","1.164","","","","has coordinates","205633","2020-10-21","18:00:00",""
"1548780","8.661","0.001","8.661","0.001","9.282","0.001","90","","90","","120","","602.99","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","","","","- Al11.86 Co4.14 Tb3 -","- Al11.862 Co4.138 Tb3 -","- Al23.724 Co8.276 Tb6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.0477","0.0264","","","0.0522","0.0561","","","","","","1.118","","","","has coordinates","205634","2020-10-21","18:00:00",""
"1551186","37.824","0.008","9.813","0.002","16.679","0.003","90","","92.7","0.03","90","","6184","2","","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cu3 F K3 O16 P4 Zn2 -","- Cu3 F K3 O16 P4 Zn2 -","- Cu48 F16 K48 O256 P64 Zn32 -","16","2","","Massa, W.; Yakubovich, O. V.; Dem Yanetz, L. N.","New open framework in the structure of K3[Cu3FZn2(PO4)4]","Solid State Sciences","1999","1","","109","119","10.1016/S1293-2558(00)80068-0","","x-ray","0.71073","MoKα","","","0.0255","","","0.0572","","","","","","","0.806","","","","has coordinates","250892","2020-10-21","18:00:00",""
"1551395","17.8908","0.0016","7.3739","0.0006","15.4074","0.0014","90","","90","","90","","2032.6","0.3","170","2","170","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H31 Cl N5 Ni O6 -","- C14 H31 Cl N5 Ni O6 -","- C56 H124 Cl4 N20 Ni4 O24 -","4","1","","Jaeheung Cho; Ritimukta Sarangi; Jamespandi Annaraj; Sung Yeon Kim; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Geometric and electronic structure and reactivity of a mononuclear 'side-on' nickel(iii)-peroxo complex","Nature Chemistry","2009","1","","568","572","10.1038/nchem.366","","","0.71073","MoKα","","0.0475","0.0384","","","0.0862","0.0876","","","","","","0.946","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551396","8.969","0.003","8.969","0.003","14.521","0.011","90","","90","","90","","1168.1","1","273","2","273","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C14 Cl2 N5 Ni O8 -","- C14 Cl2 N5 Ni O8 -","- C28 Cl4 N10 Ni2 O16 -","2","0.125","","Jaeheung Cho; Ritimukta Sarangi; Jamespandi Annaraj; Sung Yeon Kim; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Geometric and electronic structure and reactivity of a mononuclear 'side-on' nickel(iii)-peroxo complex","Nature Chemistry","2009","1","","568","572","10.1038/nchem.366","","","0.71073","MoKα","","0.0909","0.0712","","","0.1963","0.2047","","","","","","0.971","","","","has coordinates","215925","2020-10-21","18:00:00",""
"1551501","7.2806","0.0005","18.2421","0.0011","10.1075","0.0006","90","","94.886","0.001","90","","1337.53","0.15","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cu-SIP-3","","","- C8 H9 Cu2 O11 S -","- C8 H9 Cu2 O11 S -","- C32 H36 Cu8 O44 S4 -","4","1","","Bo Xiao; Peter J. Byrne; Paul S. Wheatley; David S. Wragg; Xuebo Zhao; Ashleigh J. Fletcher; K. Mark Thomas; Lars Peters; John S. O. Evans; John E. Warren; Wuzong Zhou; Russell E. Morris","Chemically blockable transformation and ultraselective low-pressure gas adsorption in a non-porous metal organic framework","Nature Chemistry","2009","1","","289","294","10.1038/nchem.254","","","0.7103","synchrotron","","0.0574","0.0423","","","0.1034","0.1126","","","","","","1.037","","","","has coordinates","216103","2020-10-21","18:00:00",""
"1551502","13.833","0.006","19.434","0.012","12.102","0.007","90","","139.16","0.03","90","","2128","2","500","2","500","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cu-SIP-3","","","- C16 H6 Cu4 O16 S2 -","- C16 H6 Cu4 O16 S2 -","- C64 H24 Cu16 O64 S8 -","4","1","","Bo Xiao; Peter J. Byrne; Paul S. Wheatley; David S. Wragg; Xuebo Zhao; Ashleigh J. Fletcher; K. Mark Thomas; Lars Peters; John S. O. Evans; John E. Warren; Wuzong Zhou; Russell E. Morris","Chemically blockable transformation and ultraselective low-pressure gas adsorption in a non-porous metal organic framework","Nature Chemistry","2009","1","","289","294","10.1038/nchem.254","","","0.6911","Synchrotron","","0.1176","0.0512","","","0.121","0.1551","","","","","","1.04","","","","has coordinates","216104","2020-10-21","18:00:00",""
"1551503","7.492","0.004","18.289","0.009","10.942","0.006","90","","90.778","0.007","90","","1499.1","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu-SIP-3-pyridine","","","- C13 H10 Cu2 N O9 S -","- C13 H10 Cu2 N O9 S -","- C52 H40 Cu8 N4 O36 S4 -","4","1","","Bo Xiao; Peter J. Byrne; Paul S. Wheatley; David S. Wragg; Xuebo Zhao; Ashleigh J. Fletcher; K. Mark Thomas; Lars Peters; John S. O. Evans; John E. Warren; Wuzong Zhou; Russell E. Morris","Chemically blockable transformation and ultraselective low-pressure gas adsorption in a non-porous metal organic framework","Nature Chemistry","2009","1","","289","294","10.1038/nchem.254","","","0.6942","Synchrotron","","0.121","0.0734","","","0.1869","0.2068","","","","","","1.074","","","","has coordinates","216105","2020-10-21","18:00:00",""
"1551824","46.241","0.002","46.241","0.002","46.241","0.002","90","","90","","90","","98874","7","150","2","150","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","diaquodinitrotetra{tris[3-(3-pyridyl)benzoyl]cyclotriguaiacylene} tetrapalladium(II) nitrate dimethylsulfoxide solvate","","- C252 H220 N20 O68 Pd4 S6 -","- C252 H216 N14 O50 Pd4 S6 -","- C3024 H2592 N168 O600 Pd48 S72 -","12","0.25","","Tanya K. Ronson; Julie Fisher; Lindsay P. Harding; Pierre J. Rizkallah; John E. Warren; Michaele J. Hardie","Stellated polyhedral assembly of a topologically complicated Pd4L4 'Solomon cube'","Nature Chemistry","2009","1","","212","216","10.1038/nchem.213","","","0.6939","synchrotron","","0.1331","0.1189","","","0.2772","0.2839","","","","","","1.92","","","","has coordinates,has disorder","216445","2020-10-21","18:00:00",""
"1551825","10.3347","0.0005","5.7397","0.0001","10.3885","0.0002","90","","106.53","0.01","90","","590.76","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Chlorotrinitromethane","'Chlorotrinitromethane'","","- C Cl N3 O6 -","- C Cl N3 O6 -","- C4 Cl4 N12 O24 -","4","1","","Michael Gobel; Boris H. Tchitchanov; Jane S. Murray; Peter Politzer; Thomas M. Klapotke","Chlorotrinitromethane and its exceptionally short carbon-chlorine bond","Nature Chemistry","2009","1","","229","235","10.1038/nchem.179","","","0.71073","MoKα","","0.0323","0.0305","","","0.0774","0.0792","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551898","32.4066","0.0002","32.4066","0.0002","23.1808","0.0002","90","","90","","90","","24344.2","0.3","150","2","150","2","","","","","","","","7","P 4","P 4","75","","","","- C620 H1016 I8 K8 N160 O168 Si32 -","- C620 H1016 I8 K8 N160 O168 Si32 -","- C620 H1016 I8 K8 N160 O168 Si32 -","1","0.25","","David Gonzalez-Rodriguez; Joost L. J. van Dongen; Martin Lutz; Anthony L. Spek; Albertus P. H. J. Schenning; E. W. Meijer","G-quadruplex self-assembly regulated by Coulombic interactions","Nature Chemistry","2009","1","","151","155","10.1038/nchem.177","","","0.71073","MoKα","","0.0984","0.0724","","","0.1922","0.2065","","","","","","1.026","","","","has coordinates","216561","2020-10-21","18:00:00",""
"1551899","16.039","0.002","16.038","0.002","9.9156","0.0013","90","","90","","90","","2550.6","0.6","193","2","193","2","","","","","","","chemical synthesis","5","P m m n :2","-P 2ab 2a","59","DCP1","(Acetato)(10-benzo[h]quinolinato)palladium(II) dimer","","- C30 H22 N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","0.5","","David C. Powers; Tobias Ritter","Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation","Nature Chemistry","2009","1","","302","309","10.1038/nchem.246","","","0.71073","MoKα","","0.0297","0.0282","","","0.0701","0.0713","","","","","","1.12","","","","has coordinates,has disorder","216562","2020-10-21","18:00:00",""
"1551900","16.7605","0.0005","17.7508","0.0005","14.1762","0.0004","90","","117.053","0.002","90","","3756.1","0.2","193","2","193","2","","","","","","","chemical synthesis","7","C 1 2/c 1","-C 2yc","15","tr040","(Acetato){10-benzo[<i>h</i>]quinolinato)chloropalladium(III) Dimer . Iodobenzene . Dichloromethane Solvate","","- C37 H29 Cl4 I N2 O4 Pd2 -","- C36 H27 Cl2 I N2 O4 Pd2 -","- C144 H108 Cl8 I4 N8 O16 Pd8 -","4","0.5","","David C. Powers; Tobias Ritter","Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation","Nature Chemistry","2009","1","","302","309","10.1038/nchem.246","","","0.71073","MoKα","","0.0491","0.0336","","","0.0761","0.0804","","","","","","1.075","","","","has coordinates,has disorder","216564","2020-10-21","18:00:00",""
"1551901","10.0632","0.0002","11.2475","0.0002","13.923","0.0002","96.989","0.001","95.423","0.001","108.992","0.001","1463.85","0.05","193","2","193","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","DCP2","Tris(μ~2~-acetato)-bis(benzo[<i>h<ι>]quinolato)-(μ~2~-chloro)- tripalladium(II)","","- C32 H25 Cl N2 O6 Pd3 -","- C32 H25 Cl N2 O6 Pd3 -","- C64 H50 Cl2 N4 O12 Pd6 -","2","1","","David C. Powers; Tobias Ritter","Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation","Nature Chemistry","2009","1","","302","309","10.1038/nchem.246","","","0.71073","MoKα","","0.0479","0.0369","","","0.0792","0.0834","","","","","","1.091","","","","has coordinates","216565","2020-10-21","18:00:00",""
"1551902","16.3668","0.0004","17.4864","0.0004","26.005","0.0006","90","","90","","90","","7442.5","0.3","193","2","193","2","","","","","","","chemical synthesis","6","P b c a","-P 2ac 2ab","61","DCP-IV-15","Bis(acetato)bis(μ~2~-acetato)-bis(10-benzo[<i>h</i>]quinolato)- dipalladium(III) bis(dichloromethane) solvate","","- C36 H32 Cl4 N2 O8 Pd2 -","- C36 H32 Cl4 N2 O8 Pd2 -","- C288 H256 Cl32 N16 O64 Pd16 -","8","1","","David C. Powers; Tobias Ritter","Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation","Nature Chemistry","2009","1","","302","309","10.1038/nchem.246","","","0.71073","MoKα","","0.0866","0.0428","","","0.0819","0.0969","","","","","","1.005","","","","has coordinates,has disorder","216566","2020-10-21","18:00:00",""
"1551988","14.503","0.0011","8.43","0.0006","22.025","0.0013","90","","96.049","0.006","90","","2677.8","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H74 Cl2 Cr2 N4 O2 -","- C58 H74 Cl2 Cr2 N4 O2 -","- C116 H148 Cl4 Cr4 N8 O4 -","2","0.5","","Awal Noor; Germund Glatz; Robert Muller; Martin Kaupp; Serhiy Demeshko; Rhett Kempe","Carboalumination of a chromium-chromium quintuple bond","Nature Chemistry","2009","1","","322","325","10.1038/nchem.255","","","0.71069","MoKα","","0.0665","0.0524","","","0.1395","0.1464","","","","","","1.004","","","","has coordinates","216796","2020-10-21","18:00:00",""
"1551989","11.993","0.0009","12.5339","0.001","12.5675","0.001","62.264","0.006","77.005","0.006","63.04","0.006","1490.1","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H73 Cr2 N4 -","- C65 H73 Cr2 N4 -","- C65 H73 Cr2 N4 -","1","0.5","","Awal Noor; Germund Glatz; Robert Muller; Martin Kaupp; Serhiy Demeshko; Rhett Kempe","Carboalumination of a chromium-chromium quintuple bond","Nature Chemistry","2009","1","","322","325","10.1038/nchem.255","","","0.71073","MoKα","","0.0814","0.064","","","0.186","0.1947","","","","","","1.02","","","","has coordinates","216797","2020-10-21","18:00:00",""
"1551990","12.613","0.001","14.667","0.0012","13.672","0.0012","90","","116.302","0.006","90","","2267.4","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Cr2 N4 O4 -","- C50 H58 Cr2 N4 O4 -","- C100 H116 Cr4 N8 O8 -","2","0.5","","Awal Noor; Germund Glatz; Robert Muller; Martin Kaupp; Serhiy Demeshko; Rhett Kempe","Carboalumination of a chromium-chromium quintuple bond","Nature Chemistry","2009","1","","322","325","10.1038/nchem.255","","","0.71069","MoKα","","0.0797","0.0528","","","0.123","0.1333","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551991","5.8389","0.0001","15.0931","0.0003","15.1405","0.0003","90","","90","","90","","1334.29","0.04","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Anna Michrowska; Benjamin List","Concise synthesis of ricciocarpin A and discovery of a more potent analogue","Nature Chemistry","2009","1","","225","228","10.1038/nchem.215","","","0.71073","MoKα","","0.0485","0.0422","","","0.1117","0.1154","","","","","","1.187","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551992","9.1765","0.0002","10.6118","0.0003","12.1909","0.0003","78.285","0.001","73.718","0.001","84.822","0.001","1115.09","0.05","100","","100","","","","","","","","CH2Cl2/pentane","6","P -1","-P 1","2","","","","- C26 H20 Au Cl N P -","- C26 H20 Au Cl N P -","- C52 H40 Au2 Cl2 N2 P2 -","2","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0386","0.0319","","","0.0724","0.0758","","","","","","1.024","","","","has coordinates","216800","2020-10-21","18:00:00",""
"1551993","9.8724","0.0008","20.8516","0.0017","27.507","0.002","90","","90","","90","","5662.5","0.8","100","","100","","","","","","","","CH2Cl2/Pentane","5","P b c a","-P 2ac 2ab","61","","","","- C33 H25 Au Cl3 P -","- C33 H25 Au Cl3 P -","- C264 H200 Au8 Cl24 P8 -","8","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0324","0.0208","","","0.0438","0.0487","","","","","","1.108","","","","has coordinates","216801","2020-10-21","18:00:00",""
"1551994","12.9659","0.001","12.8496","0.001","14.088","0.0011","90","","93.714","0.002","90","","2342.2","0.3","100","","100","","","","","","","","dichloromethane/pentane","6","P 1 21/n 1","-P 2yn","14","","1-triphenylphosphine-2,2-dethoxy-ethen-1-yl-chloro-gold(ii)","","- C24 H25 Au Cl O2 P -","- C24 H25 Au Cl O2 P -","- C96 H100 Au4 Cl4 O8 P4 -","4","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0258","0.0182","","","0.0534","0.058","","","","","","1.225","","","","has coordinates","216802","2020-10-21","18:00:00",""
"1551995","13.4522","0.0004","13.3471","0.0004","15.5809","0.0004","90","","94.674","0.001","90","","2788.21","0.14","100","","100","","","","","","","","dichloromethane/diethylether","6","P 1 21/n 1","-P 2yn","14","","1,1-di(chloro-gold(i))-2,2-di(ethoxy)vinylidene-triphenylphosphorane","","- C25 H27 Au2 Cl4 O2 P -","- C25 H27 Au2 Cl4 O2 P -","- C100 H108 Au8 Cl16 O8 P4 -","4","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0551","0.036","","","0.0762","0.0831","","","","","","1.041","","","","has coordinates","216803","2020-10-21","18:00:00",""
"1551996","9.0467","0.0002","16.8611","0.0004","16.2834","0.0004","90","","96.975","0.001","90","","2465.44","0.1","100","","100","","","","","","","","DCM / pentane","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl3 Ga O2 P -","- C24 H25 Cl3 Ga O2 P -","- C96 H100 Cl12 Ga4 O8 P4 -","4","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0495","0.034","","","0.0784","0.0845","","","","","","1.041","","","","has coordinates","216804","2020-10-21","18:00:00",""
"1551997","9.7142","0.0003","36.4547","0.001","14.5834","0.0004","90","","96.126","0.001","90","","5134.9","0.3","100","","100","","","","","","","","DCM/pentane","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl3 Ga N O P -","- C24 H26 Cl3 Ga N O P -","- C192 H208 Cl24 Ga8 N8 O8 P8 -","8","2","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0609","0.0454","","","0.1045","0.1141","","","","","","1.012","","","","has coordinates","216805","2020-10-21","18:00:00",""
"1551998","10.996","0.0013","14.7856","0.0017","11.4661","0.0013","90","","100.023","0.002","90","","1835.7","0.4","100","","100","","","","","","","","CH3CN/Et2O","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 Cl2 N4 O8 -","- C11 H26 Cl2 N4 O8 -","- C44 H104 Cl8 N16 O32 -","4","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0682","0.0581","","","0.193","0.2071","","","","","","0.97","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551999","10.532","0.002","10.628","0.002","27.069","0.005","90","","90","","90","","3029.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 Cl2 N O4 -","- C30 H41 Cl2 N O4 -","- C120 H164 Cl8 N4 O16 -","4","1","","Jaya Prakash Das; Helena Chechik; Ilan Marek","A unique approach to aldol products for the creation of all-carbon quaternary stereocentres","Nature Chemistry","2009","1","","128","132","10.1038/nchem.131","","","0.71073","MoKα","","0.1554","0.0704","","","0.1695","0.1878","","","","","","0.872","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552000","10.136","0.002","11.062","0.002","24.411","0.005","90","","90","","90","","2737.1","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N O4 -","- C29 H39 N O4 -","- C116 H156 N4 O16 -","4","1","","Jaya Prakash Das; Helena Chechik; Ilan Marek","A unique approach to aldol products for the creation of all-carbon quaternary stereocentres","Nature Chemistry","2009","1","","128","132","10.1038/nchem.131","","","0.71073","MoKα","","0.112","0.0502","","","0.1085","0.1205","","","","","","0.981","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552001","9.512","0.0013","9.512","0.0013","3.987","0.0008","90","","90","","120","","312.41","0.09","173","2","173","2","","","","","","","","5","P 3","P 3","143","Trisodiumbenzenetrihydroxytrisulfonate","","","- C2 H0 Na O4 S -","- C2 Na O4 S -","- C6 Na3 O12 S3 -","3","1","","Jeff A. Hurd; Ramanathan Vaidhyanathan; Venkataraman Thangadurai; Christopher I. Ratcliffe; Igor L. Moudrakovski; George K. H. Shimizu","Anhydrous proton conduction at 150 C in a crystalline metal-organic framework","Nature Chemistry","2009","1","","705","710","10.1038/nchem.402","","","0.71073","MoKα","","0.0418","0.0324","","","0.0652","0.0689","","","","","","1.117","","","","has coordinates,has disorder","216810","2020-10-21","18:00:00",""
"1552072","36.5251","0.0012","9.8281","0.0003","10.1059","0.0004","90","","105.682","0.004","90","","3492.7","0.2","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C35.25 H37.25 In N2.75 O12.25 -","- C30 H20 In N O8 -","- C120 H80 In4 N4 O32 -","4","0.5","","Sihai Yang; Xiang Lin; Alexander J. Blake; Gavin S. Walker; Peter Hubberstey; Neil R. Champness; Martin Schroder","Cation-induced kinetic trapping and enhanced hydrogen adsorption in a modulated anionic metal-organic framework","Nature Chemistry","2009","1","","487","493","10.1038/nchem.333","","","0.71073","MoKα","","0.0828","0.0783","","","0.202","0.208","","","","","","1.07","","","","has coordinates","216890","2020-10-21","18:00:00",""
"1552073","36.5845","0.0012","9.7589","0.0003","19.6525","0.0006","90","","103.558","0.002","90","","6820.9","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H25.75 In Li0.75 O13.75 -","- C28 H14 In Li0.5 O9 -","- C224 H112 In8 Li4 O72 -","8","1","","Sihai Yang; Xiang Lin; Alexander J. Blake; Gavin S. Walker; Peter Hubberstey; Neil R. Champness; Martin Schroder","Cation-induced kinetic trapping and enhanced hydrogen adsorption in a modulated anionic metal-organic framework","Nature Chemistry","2009","1","","487","493","10.1038/nchem.333","","","0.71073","MoKα","","0.111","0.085","","","0.197","0.209","","","","","","1.06","","","","has coordinates,has disorder","216891","2020-10-21","18:00:00",""
"1552964","11.2047","0.0016","12.2098","0.0018","13.3534","0.0017","97.661","0.01","96.853","0.008","99.139","0.009","1769","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","2","","Zhang, Wen-Zhen; Shi, Ling-Long; Liu, Chuang; Yang, Xu-Tong; Wang, Yan-Bo; Luo, Yi; Lu, Xiao-Bing","Sequential carboxylation/intramolecular cyclization reaction of o-alkynyl acetophenone with CO2","Organic Chemistry Frontiers","2014","1","3","275","","10.1039/c3qo00047h","","","0.71073","MoKα","","0.0874","0.0684","","","0.2013","0.217","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552965","8.0584","0.001","13.7851","0.0014","14.5897","0.0016","107.134","0.007","105.844","0.008","103.626","0.008","1399.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C72 H56 O12 -","4","2","","Zhang, Wen-Zhen; Shi, Ling-Long; Liu, Chuang; Yang, Xu-Tong; Wang, Yan-Bo; Luo, Yi; Lu, Xiao-Bing","Sequential carboxylation/intramolecular cyclization reaction of o-alkynyl acetophenone with CO2","Organic Chemistry Frontiers","2014","1","3","275","","10.1039/c3qo00047h","","","0.71073","MoKα","","0.112","0.0563","","","0.1483","0.1806","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552969","13.1215","0.0007","11.0922","0.0005","9.3453","0.0004","90","","90","","90","","1360.17","0.11","290","2","290","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C37 H26 O4 -","- C37 H26 O4 -","- C74 H52 O8 -","2","0.5","","Wang, Bin; Gu, Zhenhua","Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives","Org. Chem. Front.","2014","1","3","271","","10.1039/C4QO00011K","","","0.71073","MoKα","","0.0843","0.0499","","","0.0969","0.1177","","","","","","1.015","","","","has coordinates","232916","2020-10-21","18:00:00",""
"1552970","14.4556","0.0017","10.033","0.0007","17.453","0.003","90","","111.716","0.017","90","","2351.6","0.6","290","2","290","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N2 -","- C31 H30 N2 -","- C124 H120 N8 -","4","1","","Wang, Bin; Gu, Zhenhua","Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives","Org. Chem. Front.","2014","1","3","271","","10.1039/C4QO00011K","","","1.54184","CuKα","","0.14","0.1056","","","0.2296","0.2526","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552971","26.28","0.002","9.4772","0.0007","9.5917","0.0008","90","","90","","90","","2388.9","0.3","290","2","290","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C31 H30 N2 -","- C31 H30 N2 -","- C124 H120 N8 -","4","0.5","","Wang, Bin; Gu, Zhenhua","Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives","Org. Chem. Front.","2014","1","3","271","","10.1039/C4QO00011K","","","0.71073","MoKα","","0.109","0.0589","","","0.1248","0.1487","","","","","","1.019","","","","has coordinates","232916","2020-10-21","18:00:00",""
"1552972","6.4951","0.0015","9.549","0.002","15.501","0.004","81.333","0.005","86.707","0.005","74.351","0.005","915","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H21 B Br O P -","- C17 H21 B Br O P -","- C34 H42 B2 Br2 O2 P2 -","2","2","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0789","0.0552","","","0.1448","0.1598","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552973","6.2364","0.0005","17.7803","0.0018","18.9588","0.0017","90","","90","","90","","2102.2","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B Br N O P -","- C20 H22 B Br N O P -","- C80 H88 B4 Br4 N4 O4 P4 -","4","1","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0995","0.0497","","","0.1008","0.1189","","","","","","0.975","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552974","10.135","0.007","13.483","0.009","15.598","0.01","90","","90","","90","","2131","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 B O P -","- C24 H28 B O P -","- C96 H112 B4 O4 P4 -","4","1","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0383","0.0355","","","0.0902","0.0924","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552975","9.7339","0.0016","10.1445","0.0016","11.2108","0.0017","69.234","0.003","70.764","0.004","78.702","0.004","973.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Ge, Guang-Cun; Ding, Chang-Hua; Hou, Xue-Long","Palladacycle-catalyzed cascade reaction of bicyclic alkenes with alkynyl imines: synthesis of polycyclic 5H-benzo[b]azepines","Org. Chem. Front.","2014","1","4","382","","10.1039/C4QO00030G","","","0.71073","MoKα","","0.0612","0.0493","","","0.1318","0.143","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552976","10.1946","0.0001","10.6368","0.0001","19.8674","0.0001","90","","90","","90","","2154.38","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O -","- C28 H27 N O -","- C112 H108 N4 O4 -","4","1","","He, Yu-Ping; Wu, Hua; Xu, Lue; Su, Yong-Liang; Gong, Liu-Zhu","Highly enantioselective oxidative tandem cyclization reaction: a chiral ligand and an anion cooperatively control stereoselectivity","Org. Chem. Front.","2014","1","5","473","","10.1039/C4QO00042K","","","1.54184","CuKα","","0.0291","0.029","","","0.0781","0.0783","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552977","14.965","0.003","8.119","0.0016","13.829","0.003","90","","116.87","0.03","90","","1498.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 F4 N4 O2 -","- C16 H6 F4 N4 O2 -","- C64 H24 F16 N16 O8 -","4","1","","Liu, Yan-Hua; Zhang, Liang; Xu, Xiao-Na; Li, Zhi-Ming; Zhang, Dan-Wei; Zhao, Xin; Li, Zhan-Ting","Intramolecular C–H⋯F hydrogen bonding-induced 1,2,3-triazole-based foldamers","Org. Chem. Front.","2014","1","5","494","","10.1039/C4QO00047A","","","1.54178","CuKα","","0.0462","0.0446","","","0.1275","0.1292","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552978","10.327","0.002","11.834","0.002","23.984","0.005","79.88","0.03","88.92","0.03","87.48","0.03","2882.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23 F3 N4 O -","- C36 H23 F3 N4 O -","- C144 H92 F12 N16 O4 -","4","2","","Liu, Yan-Hua; Zhang, Liang; Xu, Xiao-Na; Li, Zhi-Ming; Zhang, Dan-Wei; Zhao, Xin; Li, Zhan-Ting","Intramolecular C–H⋯F hydrogen bonding-induced 1,2,3-triazole-based foldamers","Org. Chem. Front.","2014","1","5","494","","10.1039/C4QO00047A","","","1.54178","CuKα","","0.1848","0.1762","","","0.5008","0.5033","","","","","","3.898","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552979","13.555","0.003","8.9872","0.0018","15.716","0.003","90","","112.99","0.03","90","","1762.5","0.7","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F3 N2 O3 S -","- C17 H17 F3 N2 O3 S -","- C68 H68 F12 N8 O12 S4 -","4","1","","Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan","Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles","Org. Chem. Front.","2014","1","6","657","","10.1039/C4QO00056K","","","0.71073","MoKα","","","0.0593","","","0.1576","0.1672","","","","","","1.171","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552980","9.805","0.002","9.3144","0.0019","15.513","0.003","90","","97.91","0.03","90","","1403.3","0.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F3 N2 O -","- C16 H13 F3 N2 O -","- C64 H52 F12 N8 O4 -","4","1","","Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan","Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles","Org. Chem. Front.","2014","1","6","657","","10.1039/C4QO00056K","","","0.71073","MoKα","","","0.07","","","0.1587","0.1652","","","","","","1.167","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552981","13.828","0.003","16.821","0.004","15.516","0.002","90","","90.367","0.013","90","","3609","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{Bis-(2-phenylpyridine)}{4,4-dimethyl-2,2-dipyridylamine} iridium hexafluorophosphate","","- C34 H29 F6 Ir N5 P -","- C34 H29 F6 Ir N5 P -","- C136 H116 F24 Ir4 N20 P4 -","4","1","","Sauvageot, Elodie; Marion, Ronan; Sguerra, Fabien; Grimault, Adèle; Daniellou, Richard; Hamel, Matthieu; Gaillard, Sylvain; Renaud, Jean-Luc","Iridium(iii) dipyridylamine complexes: synthesis, characterization and catalytic activities in photoredox reactions","Organic Chemistry Frontiers","2014","1","6","639","","10.1039/c4qo00059e","","","0.71073","MoKα","","0.0484","0.0265","","","0.0649","0.0701","","","","","","1.007","","","","has coordinates","232928","2020-10-21","18:00:00",""
"1552982","9.3281","0.0006","15.4516","0.001","23.6282","0.0017","90","","92.742","0.003","90","","3401.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{Bis-(1-phenylpyrazole)}{4,4-dimethyl-2,2-dipyridylamine} iridium hexafluorophosphate","","- C30 H27 F6 Ir N7 P -","- C30 H27 F6 Ir N7 P -","- C120 H108 F24 Ir4 N28 P4 -","4","1","","Sauvageot, Elodie; Marion, Ronan; Sguerra, Fabien; Grimault, Adèle; Daniellou, Richard; Hamel, Matthieu; Gaillard, Sylvain; Renaud, Jean-Luc","Iridium(iii) dipyridylamine complexes: synthesis, characterization and catalytic activities in photoredox reactions","Organic Chemistry Frontiers","2014","1","6","639","","10.1039/c4qo00059e","","","0.71073","MoKα","","0.0405","0.0311","","","0.0665","0.0691","","","","","","1.066","","","","has coordinates","232928","2020-10-21","18:00:00",""
"1552983","11.986","0.0005","12.2786","0.0007","16.2211","0.0009","103.393","0.005","110.555","0.005","92.801","0.004","2152.2","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 F6 N O10 P -","- C36 H48 F6 N O10 P -","- C72 H96 F12 N2 O20 P2 -","2","1","","Zheng, Bo; Klautzsch, Fabian; Xue, Min; Huang, Feihe; Schalley, Christoph A.","Self-sorting of crown ether/secondary ammonium ion hetero-[c2]daisy chain pseudorotaxanes","Org. Chem. Front.","2014","1","5","532","","10.1039/C4QO00064A","","","0.71073","MoKα","","0.1665","0.097","","","0.2891","0.3278","","","","","","1.086","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1552984","10.4663","0.0003","42.4866","0.0016","25.4339","0.0009","90","","113.902","0.003","90","","10339.9","0.7","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 F6 N O10 P -","- C39 H45 F6 N O10 P -","- C312 H360 F48 N8 O80 P8 -","8","2","","Zheng, Bo; Klautzsch, Fabian; Xue, Min; Huang, Feihe; Schalley, Christoph A.","Self-sorting of crown ether/secondary ammonium ion hetero-[c2]daisy chain pseudorotaxanes","Org. Chem. Front.","2014","1","5","532","","10.1039/C4QO00064A","","","1.54184","CuKα","","0.1859","0.1501","","","0.3841","0.4125","","","","","","1.348","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552985","9.3761","0.0009","13.3939","0.0013","16.9447","0.0017","90","","101.929","0.002","90","","2082","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H73 Br N2 O -","- C46 H73 Br N2 O -","- C92 H146 Br2 N4 O2 -","2","0.5","","Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy","Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]","Org. Chem. Front.","2014","1","4","351","","10.1039/C4QO00072B","","x-ray","0.71073","MoKα","","0.0886","0.0546","","","0.1034","0.1123","","","","","","1.043","","","","has coordinates,has disorder","232932","2020-10-21","18:00:00",""
"1552986","14.2658","0.0009","19.7423","0.0012","17.2861","0.0013","90","","104.823","0.002","90","","4706.4","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H70 Br6 N2 -","- C46 H70 Br6 N2 -","- C184 H280 Br24 N8 -","4","0.5","","Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy","Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]","Org. Chem. Front.","2014","1","4","351","","10.1039/C4QO00072B","","x-ray","0.71073","MoKα","","0.0425","0.0263","","","0.052","0.0565","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552987","9.5494","0.0005","12.1924","0.0006","17.6614","0.0008","86.558","0.002","84.548","0.002","76.62","0.002","1989.92","0.17","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H70 N2 -","- C46 H70 N2 -","- C92 H140 N4 -","2","1","","Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy","Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]","Org. Chem. Front.","2014","1","4","351","","10.1039/C4QO00072B","","x-ray","0.71073","MoKα","","0.0467","0.0369","","","0.091","0.0956","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552988","17.0807","0.0005","9.587","0.0003","20.1987","0.0006","90","","93.695","0.003","90","","3300.72","0.17","123","0.1","123","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Macrocycle + axle","","- C76 H88 I N7 O6 -","- C76 H88 I N7 O6 -","- C152 H176 I2 N14 O12 -","2","1","","Kaufmann, Lena; Traulsen, Nora L.; Springer, Andreas; Schröder, Hendrik V.; Mäkelä, Toni; Rissanen, Kari; Schalley, Christoph A.","Evaluation of multivalency as an organization principle for the efficient synthesis of doubly and triply threaded amide rotaxanes","Org. Chem. Front.","2014","1","5","521","","10.1039/C4QO00077C","","","1.5418","CuKα","","0.1058","0.1014","","","0.2315","0.2347","","","","","","1.117","","","","has coordinates,has disorder","232934","2020-10-21","18:00:00",""
"1552989","10.3015","0.0001","11.2459","0.0001","19.9126","0.0002","90","","90","","90","","2306.87","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Chen, Peng-Qiao; Xiao, You-Cai; Yue, Cai-Zhen; Chen, Ying-Chun","Trienamine catalysis with linear deconjugated 3,5-dienones","Org. Chem. Front.","2014","1","5","490","","10.1039/C4QO00079J","","","1.54184","CuKα","","0.0332","0.0328","","","0.0906","0.0912","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552990","10.2605","0.0006","16.8131","0.0009","17.3175","0.001","101.471","0.005","103.442","0.005","99.53","0.005","2776.4","0.3","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C83 H34 Cl6 N2 O6 -","- C83 H32 Cl6 N2 O6 -","- C166 H64 Cl12 N4 O12 -","2","1","","Xu, Liang; Liang, Sisi; Gan, Liangbing","A green fullerene derivative as a fluoride ion sensor","Organic Chemistry Frontiers","2014","1","6","652","","10.1039/c4qo00111g","","","0.7107","MoKα","","0.1254","0.0992","","","0.2565","0.2844","","","","","","1.035","","","","has coordinates","232938","2020-10-21","18:00:00",""
"1552991","13.6381","0.0014","10.0676","0.0011","15.0801","0.0015","90","","91.542","0.002","90","","2069.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Guo, Tenglong; Jiang, Quanbin; Huang, Fei; Chen, Jiping; Yu, Zhengkun","Palladium-catalyzed, copper-mediated construction of benzene rings from the reactions of indoles with in situ generated enones","Org. Chem. Front.","2014","1","6","707","","10.1039/C4QO00122B","","","0.71073","MoKα","","0.0652","0.0513","","","0.1237","0.1343","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552992","8.8997","0.0014","9.2955","0.0015","11.9387","0.0019","79.341","0.003","78.262","0.003","83.259","0.003","947","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O -","- C26 H19 N O -","- C52 H38 N2 O2 -","2","1","","Guo, Tenglong; Jiang, Quanbin; Huang, Fei; Chen, Jiping; Yu, Zhengkun","Palladium-catalyzed, copper-mediated construction of benzene rings from the reactions of indoles with in situ generated enones","Org. Chem. Front.","2014","1","6","707","","10.1039/C4QO00122B","","","0.71073","MoKα","","0.0555","0.0471","","","0.1344","0.1431","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552993","6.6455","0.0002","14.068","0.0005","15.4102","0.0005","90","","90","","90","","1440.68","0.08","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl F N O3 -","- C17 H11 Cl F N O3 -","- C68 H44 Cl4 F4 N4 O12 -","4","1","","Liu, Yun-Lin; Liao, Fu-Min; Niu, Yan-Fei; Zhao, Xiao-Li; Zhou, Jian","Highly stereoselective construction of adjacent tetrasubstituted carbon stereogenic centres via an organocatalytic Mukaiyama-aldol reaction of monofluorinated silyl enol ethers to isatins","Organic Chemistry Frontiers","2014","1","7","742","","10.1039/C4QO00126E","","","0.71073","MoKα","","0.0426","0.0315","","","0.0651","0.0712","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552994","8.1719","0.0015","6.8476","0.0012","12.493","0.002","90","","97.076","0.007","90","","693.8","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F N O3 -","- C17 H14 F N O3 -","- C34 H28 F2 N2 O6 -","2","1","","Liu, Yun-Lin; Liao, Fu-Min; Niu, Yan-Fei; Zhao, Xiao-Li; Zhou, Jian","Highly stereoselective construction of adjacent tetrasubstituted carbon stereogenic centres via an organocatalytic Mukaiyama-aldol reaction of monofluorinated silyl enol ethers to isatins","Organic Chemistry Frontiers","2014","1","7","742","","10.1039/C4QO00126E","","","0.71073","MoKα","","0.1336","0.0627","","","0.1003","0.125","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552995","5.5702","0.0014","24.243","0.006","17.573","0.005","90","","93.744","0.01","90","","2368","1.1","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H24 O3 -","- C32 H24 O3 -","- C128 H96 O12 -","4","1","","Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M.","Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms","Org. Chem. Front.","2014","1","7","759","","10.1039/C4QO00130C","","","0.71073","MoKα","","0.1013","0.0547","","","0.1105","0.1281","","","","","","0.986","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552996","11.2685","0.0019","9.1961","0.0015","20.509","0.004","90","","92.368","0.006","90","","2123.5","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O -","- C31 H22 O -","- C124 H88 O4 -","4","1","","Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M.","Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms","Org. Chem. Front.","2014","1","7","759","","10.1039/C4QO00130C","","","0.71073","MoKα","","0.1103","0.0614","","","0.1395","0.1581","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552997","6.1046","0.0006","15.4141","0.0015","17.5871","0.0017","90","","90","","90","","1654.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Wang, Lijia; Tang, Yong","Stereospecific synthesis of highly functionalized benzo[3.1.0]bicycloalkanes via multistep cascade reactions","Org. Chem. Front.","2014","1","8","965","","10.1039/C4QO00134F","","","0.71073","MoKα","","0.044","0.0362","","","0.0889","0.0936","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552998","8.4091","0.0007","12.2759","0.0012","24.544","0.002","90","","90","","90","","2533.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H23 O3 P -","- C34 H23 O3 P -","- C136 H92 O12 P4 -","4","1","","Yu, Yue-Na; Xu, Ming-Hua","Design of a new series of chiral phosphite–olefin ligands and their application in asymmetric catalysis","Organic Chemistry Frontiers","2014","1","7","738","","10.1039/C4QO00135D","","","0.71073","MoKα","","0.1527","0.0864","","","0.2094","0.2292","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1552999","10.354","0.004","10.811","0.004","18.781","0.007","77.136","0.005","88.021","0.005","64.81","0.004","1850.3","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Cl6 O9 Ti3 -","- C24 H48 Cl6 O9 Ti3 -","- C48 H96 Cl12 O18 Ti6 -","2","1","","Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui","A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism","Org. Chem. Front.","2014","1","8","929","","10.1039/C4QO00140K","","","0.71073","MoKα","","0.0938","0.0516","","","0.1046","0.1131","","","","","","1.003","","","","has coordinates","232950","2020-10-21","18:00:00",""
"1553000","13.085","0.005","12.063","0.005","23.777","0.009","90","","90","","90","","3753","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Cl6 O6 Ti2 -","- C30 H44 Cl6 O6 Ti2 -","- C120 H176 Cl24 O24 Ti8 -","4","0.5","","Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui","A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism","Org. Chem. Front.","2014","1","8","929","","10.1039/C4QO00140K","","","0.71073","MoKα","","0.1282","0.0641","","","0.1683","0.1906","","","","","","1.001","","","","has coordinates","232950","2020-10-21","18:00:00",""
"1553001","7.2517","0.0001","14.3878","0.0002","24.292","0.0004","90","","90","","90","","2534.53","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 N O3 Se -","- C27 H31 N O3 Se -","- C108 H124 N4 O12 Se4 -","4","1","","Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan","Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control","Org. Chem. Front.","2014","1","8","974","","10.1039/C4QO00142G","","","1.54178","CuKα","","0.0398","0.0349","","","0.0821","0.0841","","","","","","0.994","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553002","4.3822","0.0001","7.7125","0.0002","19.0393","0.0004","90","","90","","90","","643.48","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N O2 -","- C6 H9 N O2 -","- C24 H36 N4 O8 -","4","1","","Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan","Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control","Org. Chem. Front.","2014","1","8","974","","10.1039/C4QO00142G","","","1.54178","CuKα","","0.0392","0.0382","","","0.0933","0.0957","","","","","","1.109","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553003","12.818","0.003","14.788","0.003","16.847","0.003","72.67","0.03","86.64","0.03","84.12","0.03","3031.1","1.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H54 B Cl8 F4 N O P2 Ru -","- C62 H54 B Cl8 F4 N O P2 Ru -","- C124 H108 B2 Cl16 F8 N2 O2 P4 Ru2 -","2","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.0776","0.0598","","","0.1792","0.218","","","","","","0.974","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553004","13.1474","0.0008","13.1912","0.0007","20.2329","0.0012","80.722","0.005","87.504","0.005","63.196","0.006","3089.3","0.4","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C58 H54 B Cl10 F4 N O P2 Ru -","- C58 H54 B Cl10 F4 N O P2 Ru -","- C116 H108 B2 Cl20 F8 N2 O2 P4 Ru2 -","2","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.0788","0.0619","","","0.1691","0.1808","","","","","","1.138","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553005","13.0587","0.0004","25.8151","0.0007","14.6635","0.0004","90","","95.876","0.003","90","","4917.3","0.2","173","","173","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 B Cl4 F4 N O P2 Ru -","- C51 H46 B Cl4 F4 N O P2 Ru -","- C204 H184 B4 Cl16 F16 N4 O4 P8 Ru4 -","4","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.0915","0.0712","","","0.1618","0.1736","","","","","","1.001","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553006","23.3968","0.0008","10.7057","0.0004","19.1358","0.0007","90","","90.758","0.003","90","","4792.7","0.3","173","","173","","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C49.5 H45 B Cl5 F4 N O P2 Ru -","- C49.5 H45 B Cl5 F4 N O P2 Ru -","- C198 H180 B4 Cl20 F16 N4 O4 P8 Ru4 -","4","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.056","0.0448","","","0.1173","0.1221","","","","","","1.355","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553007","5.1955","0.0001","8.5856","0.0001","32.9171","0.0004","90","","90","","90","","1468.32","0.04","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","","Wang, Yong; Xu, Jing-Kun; Gu, Yonghong; Tian, Shi-Kai","Catalytic stereospecific allylation of protected hydrazines with enantioenriched primary allylic amines","Organic Chemistry Frontiers","2014","1","7","812","","10.1039/C4QO00155A","","","1.54184","CuKα","","0.0326","0.0316","","","0.1036","0.1062","","","","","","1.077","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553008","6.7701","0.0015","11.166","0.003","17.891","0.004","74.17","0.005","82.524","0.006","85.51","0.006","1288.8","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N3 O5 -","- C26 H31 N3 O5 -","- C52 H62 N6 O10 -","2","1","","Nakamura, Itaru; Jo, Takeru; Zhang, Dong; Terada, Masahiro","N-Allenylnitrone acts as 2-azadiene in the Cu-catalyzed cascade reaction of O-propargylic oximes with azodicarboxylates","Org. Chem. Front.","2014","1","8","914","","10.1039/C4QO00156G","","","0.71075","MoKα","","","0.0608","","","","0.1512","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553009","5.9442","0.001","6.7813","0.0011","13.014","0.002","91.341","0.003","92.608","0.003","105.719","0.003","504.1","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","1","0.5","","Tian, Bing; Liu, Qiang; Tong, Xiaofeng; Tian, Ping; Lin, Guo-Qiang","Copper(i)-catalyzed enantioselective hydroboration of cyclopropenes: facile synthesis of optically active cyclopropylboronates","Org. Chem. Front.","2014","1","9","1116","","10.1039/C4QO00157E","","","0.71073","MoKα","","0.0512","0.0424","","","0.1109","0.1174","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553010","10.3013","0.0015","13.0206","0.0018","13.9427","0.0018","117.359","0.003","105.117","0.003","95.85","0.003","1548.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H27 Br N2 O2 S -","- C37 H27 Br N2 O2 S -","- C74 H54 Br2 N4 O4 S2 -","2","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.0952","0.056","","","0.1436","0.1669","","","","","","1.017","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553011","12.32","0.0009","12.6141","0.001","21.9831","0.0017","90","","93.771","0.002","90","","3408.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N2 O Si2 -","- C31 H44 N2 O Si2 -","- C124 H176 N8 O4 Si8 -","4","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.0824","0.0516","","","0.1329","0.1446","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553012","11.876","0.004","7.462","0.003","24.973","0.008","90","","90","","90","","2213.1","1.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C112 H80 N16 -","8","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.08","0.056","","","0.1394","0.1549","","","","","","1.079","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553013","12.938","0.004","17.204","0.005","18.135","0.006","82.713","0.005","85.701","0.004","70.712","0.004","3777","2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H47 Br N2 O3 Si2 -","- C33 H47 Br N2 O3 Si2 -","- C132 H188 Br4 N8 O12 Si8 -","4","2","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.2878","0.0926","","","0.2264","0.3316","","","","","","0.93","","","","has coordinates,has disorder","232961","2020-10-21","18:00:00",""
"1553014","13.9802","0.0012","13.6497","0.0011","16.6352","0.0013","90","","104.443","0.002","90","","3074.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 Br N2 O2 S -","- C33 H35 Br N2 O2 S -","- C132 H140 Br4 N8 O8 S4 -","4","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.0656","0.0447","","","0.1059","0.1164","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553015","9.4812","0.0019","10.0987","0.0019","13.636","0.003","74.849","0.005","80.124","0.005","67.332","0.004","1159.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.1022","0.0498","","","0.1225","0.1466","","","","","","0.949","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553016","24.855","0.006","9.629","0.002","15.692","0.004","90","","96.85","0.005","90","","3728.7","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br F3 N O4 -","- C19 H15 Br F3 N O4 -","- C152 H120 Br8 F24 N8 O32 -","8","2","","Sang, Rui; Tang, Xiang-Ying; Shi, Min","Ozonation of methylenecyclopropanes","Org. Chem. Front.","2014","1","7","770","","10.1039/C4QO00160E","","","0.71073","MoKα","","0.1349","0.0674","","","0.1646","0.2046","","","","","","0.963","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553017","8.8435","0.0004","13.8908","0.0007","14.179","0.0006","90","","90","","90","","1741.8","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Ma, Dengke; Dai, Jianxin; Qiu, Youai; Fu, Chunling; Ma, Shengming","Gram scale synthesis of 7-methoxy-O-methylmukonal, clausine-O, clausine-K, clausine-H, 7-methoxymukonal, and methyl 2-hydroxy-7-methoxy-9H-carbazole-3-carboxylate","Organic Chemistry Frontiers","2014","1","7","782","","10.1039/C4QO00163J","","","1.54184","CuKα","","0.0514","0.0425","","","0.1074","0.117","","","","","","1.094","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553018","10.1723","0.0008","19.9258","0.0016","10.4443","0.0009","90","","90.467","0.002","90","","2116.9","0.3","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N2 O5 -","- C22 H21 N2 O5 -","- C88 H84 N8 O20 -","4","2","","Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong","Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745","Org. Chem. Front.","2014","1","8","956","","10.1039/C4QO00165F","","","0.71073","MoKα","","0.0664","0.0645","","","0.1872","0.191","","","","","","1.154","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553019","21.9204","0.0005","21.9204","0.0005","14.1057","0.0004","90","","90","","90","","6777.8","0.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C32 H25 N6 O8 S2 -","- C32 H25 N6 O8 S2 -","- C256 H200 N48 O64 S16 -","8","1","","Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong","Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745","Org. Chem. Front.","2014","1","8","956","","10.1039/C4QO00165F","","","1.54178","CuKα","","0.1102","0.0941","","","0.2457","0.2633","","","","","","1.036","","","","has coordinates","232968","2020-10-21","18:00:00",""
"1553020","11.2563","0.0003","13.065","0.0003","14.4176","0.0004","87.383","0.002","69.786","0.002","66.908","0.001","1820.34","0.09","132","2","132","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl4 N6 O8 S2 -","- C34 H28 Cl4 N6 O8 S2 -","- C68 H56 Cl8 N12 O16 S4 -","2","1","","Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong","Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745","Org. Chem. Front.","2014","1","8","956","","10.1039/C4QO00165F","","","1.54178","CuKα","","0.0536","0.0468","","","0.1269","0.1399","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553021","10.723","0.008","13.108","0.009","13.974","0.011","90","","100.869","0.008","90","","1929","2","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl Fe N4 -","- C42 H48 Cl Fe N4 -","- C84 H96 Cl2 Fe2 N8 -","2","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0895","0.0614","","","0.154","0.1777","","","","","","1.115","","","","has coordinates","232971","2020-10-21","18:00:00",""
"1553022","9.3521","0.0009","23.226","0.002","17.0545","0.0016","90","","97.944","0.002","90","","3668.9","0.6","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 Cl Fe N3 -","- C41 H55 Cl Fe N3 -","- C164 H220 Cl4 Fe4 N12 -","4","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0816","0.0428","","","0.0989","0.1139","","","","","","1.039","","","","has coordinates","232971","2020-10-21","18:00:00",""
"1553023","11.2282","0.0014","19.506","0.002","16.892","0.002","90","","97.31","0.002","90","","3669.6","0.7","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl Fe N2 -","- C40 H62 Cl Fe N2 -","- C160 H248 Cl4 Fe4 N8 -","4","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0928","0.051","","","0.1262","0.1519","","","","","","1.009","","","","has coordinates","232971","2020-10-21","18:00:00",""
"1553024","12.8079","0.0012","13.0473","0.0012","25.151","0.002","93.467","0.002","102.677","0.002","109.051","0.002","3835.9","0.6","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H84 B F24 Fe N2 O -","- C76 H84 B F24 Fe N2 O -","- C152 H168 B2 F48 Fe2 N4 O2 -","2","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0792","0.0527","","","0.1298","0.1484","","","","","","1.007","","","","has coordinates,has disorder","232971","2020-10-21","18:00:00",""
"1553025","9.91","0.0003","12.6331","0.0004","13.0734","0.0004","90.23","0.001","111.217","0.001","111.642","0.001","1400.25","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N5 O2 S -","- C32 H33 N5 O2 S -","- C64 H66 N10 O4 S2 -","2","1","","Un, Hio-Ieng; Huang, Chang-Bo; Huang, Chusen; Jia, Ti; Zhao, Xiao-Li; Wang, Cui-Hong; Xu, Lin; Yang, Hai-Bo","A versatile fluorescent dye based on naphthalimide: highly selective detection of Hg2+in aqueous solution and living cells and its aggregation-induced emission behaviour","Org. Chem. Front.","2014","1","9","1083","","10.1039/C4QO00185K","","","0.71073","MoKα","","0.0586","0.0401","","","0.0982","0.1145","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553026","6.9068","0.0005","34.826","0.002","20.4959","0.0011","90","","96.227","0.006","90","","4900.9","0.5","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 B O2 P -","- C13.5 H15 B0.5 O P0.5 -","- C108 H120 B4 O8 P4 -","8","2","","Wei, Junnian; Zhang, Yongliang; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and applications of 1-iodo-4-MgCl-1,3-dienes and 1-iodovinyl phenylmagnesium chlorides","Org. Chem. Front.","2014","1","8","983","","10.1039/C4QO00191E","","","1.54184","CuKα","","0.2312","0.0928","","","0.1582","0.2427","","","","","","0.947","","","","has coordinates","232974","2020-10-21","18:00:00",""
"1553027","9.398","0.004","10.644","0.004","18.906","0.008","90","","100.921","0.006","90","","1857","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F3 N O -","- C22 H18 F3 N O -","- C88 H72 F12 N4 O4 -","4","1","","Zhang, Li; Wang, Huiqing; Yang, Bo; Fan, Renhua","Imino exchange reaction in a dearomatization strategy: synthesis of N-acyl diarylamines and phenothiazines from two anilines","Org. Chem. Front.","2014","1","9","1055","","10.1039/C4QO00201F","","","0.71073","MoKα","","0.1096","0.0616","","","0.1495","0.172","","","","","","0.909","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553028","8.012","0.002","13.115","0.004","15.516","0.005","102.467","0.003","104.463","0.004","98.556","0.003","1505.6","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 F3 N3 O5 S -","- C33 H30 F3 N3 O5 S -","- C66 H60 F6 N6 O10 S2 -","2","1","","Lei, Chuan-Hu; Zhao, Liang; Wang, De-Xian; Zhu, Jieping; Wang, Mei-Xiang","Functionalized imidazoliniums from the three-component domino reaction of N-formylmethylcarboxamides with amines and isocyanides","Org. Chem. Front.","2014","1","8","909","","10.1039/C4QO00203B","","","0.71073","MoKα","","0.053","0.0491","","","0.1246","0.1286","","","","","","1.112","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553029","9.0055","0.0013","15.94","0.002","14.422","0.002","90","","90.178","0.003","90","","2070.2","0.5","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 Fe N2 -","- C20 H26 Cl2 Fe N2 -","- C80 H104 Cl8 Fe4 N8 -","4","1","","Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng","Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes","Org. Chem. Front.","2014","1","9","1101","","10.1039/C4QO00206G","","","0.71073","MoKα","","0.0996","0.0521","","","0.1","0.1152","","","","","","1.074","","","","has coordinates","232979","2020-10-21","18:00:00",""
"1553030","12.5511","0.001","14.2462","0.0012","17.4859","0.0014","90","","98.21","0.002","90","","3094.5","0.4","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl2 Fe N2 P -","- C32 H35 Cl2 Fe N2 P -","- C128 H140 Cl8 Fe4 N8 P4 -","4","1","","Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng","Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes","Org. Chem. Front.","2014","1","9","1101","","10.1039/C4QO00206G","","","0.71073","MoKα","","0.0546","0.0342","","","0.0842","0.0926","","","","","","1.082","","","","has coordinates","232979","2020-10-21","18:00:00",""
"1553031","17.631","0.005","10.038","0.003","16.442","0.004","90","","111.334","0.005","90","","2710.5","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl2 Fe N2 P -","- C29 H29 Cl2 Fe N2 P -","- C116 H116 Cl8 Fe4 N8 P4 -","4","1","","Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng","Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes","Org. Chem. Front.","2014","1","9","1101","","10.1039/C4QO00206G","","","0.71073","MoKα","","0.1291","0.0744","","","0.1682","0.1931","","","","","","1.093","","","","has coordinates,has disorder","232979","2020-10-21","18:00:00",""
"1553032","11.245","0.006","22.954","0.012","26.071","0.013","90","","100.618","0.008","90","","6614","6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C320 H320 N32 O16 -","16","4","","Song, Junjie; Fan, Congbin; Liu, Gang; Qiu, Guanyinsheng","Generation of 1-amino-isoquinoline-N-oxides via a tandem reaction of 2-alkynylbenzaldoxime with secondary amines in the presence of silver(i) and copper(i)","Org. Chem. Front.","2014","1","9","1045","","10.1039/C4QO00209A","","","0.71073","MoKα","","0.1339","0.0399","","","0.0674","0.0812","","","","","","0.698","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553033","13.204","0.0002","13.204","0.0002","11.5028","0.0001","90","","90","","120","","1736.78","0.04","100","2","99.99","","","","","","","","","4","P 32","P 32","145","","","","- C21 H28 N4 O -","- C21 H28 N4 O -","- C63 H84 N12 O3 -","3","1","","Ma, Gaoyuan; Sibi, Mukund P.","Enantioselective allylic amination of MBH carbonates catalyzed by novel chiral 4-dialkylaminopyridine catalysts","Org. Chem. Front.","2014","1","10","1152","","10.1039/C4QO00210E","","","1.54178","CuKα","","0.023","0.0226","","","0.0579","0.0582","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553034","9.4812","0.0007","8.1107","0.0006","13.3671","0.0009","90","","106.9","0.007","90","","983.53","0.13","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H17 Br2 N O3 S -","- C21 H17 Br2 N O3 S -","- C42 H34 Br4 N2 O6 S2 -","2","1","","Liu, Cheng-Hang; Yu, Zhi-Xiang","Gold(i)- and platinum(iv)-catalyzed intramolecular annulations of allenes towards furans","Org. Chem. Front.","2014","1","10","1205","","10.1039/C4QO00223G","","","0.7107","MoKα","","0.0816","0.0628","","","0.1638","0.1843","","","","","","1.013","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553035","9.9037","0.0007","21.156","0.0015","12.948","0.001","90","","94.929","0.002","90","","2702.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Br Cl2 P -","- C29 H30 Br Cl2 P -","- C116 H120 Br4 Cl8 P4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong","A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation","Org. Chem. Front.","2014","1","9","1035","","10.1039/C4QO00232F","","","0.71073","MoKα","","0.0789","0.0524","","","0.134","0.149","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553036","10.419","0.006","12.707","0.008","18.309","0.011","90","","103.667","0.013","90","","2355","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br O P -","- C27 H26 Br O P -","- C108 H104 Br4 O4 P4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong","A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation","Org. Chem. Front.","2014","1","9","1035","","10.1039/C4QO00232F","","","0.71073","MoKα","","0.0472","0.0366","","","0.093","0.0981","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553037","10.9121","0.0012","17.4195","0.0019","12.67","0.0015","90","","100.809","0.002","90","","2365.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Br O2 P -","- C28 H26 Br O2 P -","- C112 H104 Br4 O8 P4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong","A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation","Org. Chem. Front.","2014","1","9","1035","","10.1039/C4QO00232F","","","0.71073","MoKα","","0.0728","0.0419","","","0.1039","0.1169","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553038","5.3668","0.0008","9.6287","0.0015","18.804","0.003","82.874","0.003","86.417","0.004","82.471","0.004","954.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 F3 O -","- C24 H19 F3 O -","- C48 H38 F6 O2 -","2","1","","Ji, Yun-Long; Lin, Jin-Hong; Xiao, Ji-Chang; Gu, Yu-Cheng","Copper-catalyzed tandem trifluoromethylation/cyclization of internal alkynes","Org. Chem. Front.","2014","1","11","1280","","10.1039/C4QO00240G","","","0.71073","MoKα","","0.0872","0.0619","","","0.1801","0.2022","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553039","13.7485","0.0011","14.2439","0.0012","16.1369","0.0012","96.785","0.007","111.858","0.007","102.58","0.007","2792.4","0.4","145.2","0.3","145.2","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Cl2 N10 O6 Zn2 -","- C44 H54 Cl2 N10 O6 Zn2 -","- C88 H108 Cl4 N20 O12 Zn4 -","2","1","","Xu, Hao-Ran; Li, Kun; Wang, Ming-Qi; Wang, Bo-Lin; Wang, Xin; Yu, Xiao-Qi","The dicyclen‒TPE zinc complex as a novel fluorescent ensemble for nanomolar pyrophosphate sensing in 100% aqueous solution","Org. Chem. Front.","2014","1","11","1276","","10.1039/C4QO00243A","","","0.71073","MoKα","","0.147","0.1131","","","0.3085","0.3414","","","","","","1.074","","","","has coordinates","232990","2020-10-21","18:00:00",""
"1553239","14.9981","0.0003","14.2324","0.0003","14.6364","0.0003","90","","103.93","0.001","90","","3032.39","0.11","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Cl2 F6 N4 O4 -","- C29 H24 Cl2 F6 N4 O4 -","- C116 H96 Cl8 F24 N16 O16 -","4","0.5","","Poh, Jian-Siang; Browne, Duncan L.; Ley, Steven V.","A multistep continuous flow synthesis machine for the preparation of pyrazoles <i>via</i> a metal-free amine-redox process.","Reaction chemistry & engineering","2016","1","1","101","105","10.1039/c5re00082c","","","0.71073","MoKα","","0.0702","0.0481","","","0.1414","0.152","","","","","","1.087","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553240","12.275","0.0008","7.265","0.0005","12.6939","0.0008","90","","107.016","0.002","90","","1082.46","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F3 N3 -","- C11 H10 F3 N3 -","- C44 H40 F12 N12 -","4","1","","Poh, Jian-Siang; Browne, Duncan L.; Ley, Steven V.","A multistep continuous flow synthesis machine for the preparation of pyrazoles <i>via</i> a metal-free amine-redox process.","Reaction chemistry & engineering","2016","1","1","101","105","10.1039/c5re00082c","","","1.54178","CuKα","","0.0539","0.048","","","0.1201","0.1268","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553404","10.676","0.005","12.903","0.006","14.232","0.007","109.594","0.005","94.193","0.005","100.114","0.004","1799.8","1.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H33 Cl N4 O11 -","- C41 H32.56 Cl N4 O11 -","- C82 H65.12 Cl2 N8 O22 -","2","1","","Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I.","Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study","Molecular Systems Design & Engineering","2016","1","4","416","","10.1039/C6ME00076B","","","0.71073","MoKα","","0.08","0.0657","","","","0.1966","","","","","","1.079","","","","has coordinates,has disorder","234772","2020-10-21","18:00:00",""
"1553405","9.494","0.005","11.509","0.006","11.755","0.006","98.007","0.006","99.366","0.01","94.805","0.007","1247.5","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 Cl N2 O7 -","- C27 H29 Cl N2 O7 -","- C54 H58 Cl2 N4 O14 -","2","1","","Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I.","Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study","Molecular Systems Design & Engineering","2016","1","4","416","","10.1039/C6ME00076B","","","0.71073","MoKα","","0.0781","0.0661","","","","0.1888","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553406","12.411","0.005","21.348","0.008","12.558","0.005","90","","117.284","0.006","90","","2957","2","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H37 Cl N2 O8 -","- C34 H37 Cl N2 O8 -","- C136 H148 Cl4 N8 O32 -","4","1","","Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I.","Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study","Molecular Systems Design & Engineering","2016","1","4","416","","10.1039/C6ME00076B","","","0.71073","MoKα","","0.0889","0.067","","","","0.1661","","","","","","1.118","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553409","5.2286","0.0005","8.35","0.0006","20.2441","0.0018","79.956","0.007","89.888","0.008","81.369","0.007","860.17","0.13","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","PBDK1","","- C17 H20 Br N O5 -","- C17 H20 Br N O5 -","- C34 H40 Br2 N2 O10 -","2","1","","Xie, Tongqing; Zhang, Baicheng; Zhang, Xuepeng; Zhang, Guoqing","AIE-active β-diketones containing pyridiniums: fluorogenic binding to cellulose and water-vapour-recoverable mechanochromic luminescence","Materials Chemistry Frontiers","2017","1","4","693","","10.1039/C6QM00187D","","","0.71073","MoKα","","0.0965","0.0586","","","0.1258","0.1487","","","","","","1.025","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553410","9.6692","0.0002","15.1682","0.0003","28.4042","0.0005","90","","95.927","0.002","90","","4143.61","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Br2 N2 Ni -","- C46 H44 Br2 N2 Ni -","- C184 H176 Br8 N8 Ni4 -","4","0.5","","Sui, Xuelin; Hong, Changwen; Pang, Wenmin; Chen, Changle","Unsymmetrical α-diimine palladium catalysts and their properties in olefin (co)polymerization","Materials Chemistry Frontiers","2017","1","5","967","","10.1039/C6QM00235H","","","1.54178","CuKα","","0.1277","0.1202","","","0.3249","0.3336","","","","","","1.062","","","","has coordinates","234964","2020-10-21","18:00:00",""
"1553411","10.7748","0.0004","24.3601","0.0008","18.0013","0.0008","90","","95.951","0.004","90","","4699.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H49 Cl3 N2 Pd -","- C55 H47 Cl N2 Pd -","- C220 H188 Cl4 N8 Pd4 -","4","1","","Sui, Xuelin; Hong, Changwen; Pang, Wenmin; Chen, Changle","Unsymmetrical α-diimine palladium catalysts and their properties in olefin (co)polymerization","Materials Chemistry Frontiers","2017","1","5","967","","10.1039/C6QM00235H","","","0.71073","MoKα","","0.1581","0.1192","","","0.3576","0.3835","","","","","","1.976","","","","has coordinates","234964","2020-10-21","18:00:00",""
"1553412","13.1491","0.0006","19.2193","0.001","19.3227","0.0008","105.127","0.004","109.315","0.004","96.896","0.004","4333","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H47 Cl N2 Pd -","- C47 H47 Cl N2 Pd -","- C188 H188 Cl4 N8 Pd4 -","4","2","","Sui, Xuelin; Hong, Changwen; Pang, Wenmin; Chen, Changle","Unsymmetrical α-diimine palladium catalysts and their properties in olefin (co)polymerization","Materials Chemistry Frontiers","2017","1","5","967","","10.1039/C6QM00235H","","","1.54184","CuKα","","0.1046","0.0893","","","0.2273","0.238","","","","","","1.079","","","","has coordinates","234964","2020-10-21","18:00:00",""
"1553413","15.4081","0.0005","6.0485","0.0002","22.1271","0.0007","90","","102.299","0.003","90","","2014.83","0.12","173","0.3","173.15","","","","","","","","","3","I 1 2 1","I 2y","5","TPT","2,3,4,5-tetraphenylthiophene","","- C28 H20 S -","- C28 H20 S -","- C112 H80 S4 -","4","1","","Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong","Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching?","Materials Chemistry Frontiers","2017","1","6","1125","","10.1039/C6QM00343E","","","1.54178","CuKα","","0.0378","0.0355","","","0.0832","0.0851","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553414","21.71","0.007","8.16","0.0015","24.855","0.008","90","","113.396","0.019","90","","4041","2","293","2","293","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","TPF","2,3,4,5-tetraphenylfuran","","- C28 H20 O -","- C28 H20 O -","- C224 H160 O8 -","8","1","","Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong","Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching?","Materials Chemistry Frontiers","2017","1","6","1125","","10.1039/C6QM00343E","","","0.71073","MoKα","","0.0489","0.0378","","","0.1012","0.1095","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553415","10.495","0.004","11.772","0.004","13.789","0.006","81.56","0.02","71.751","0.016","72.938","0.017","1543.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 N2 O2 S2 -","- C40 H26 N2 O2 S2 -","- C80 H52 N4 O4 S4 -","2","1","","Keshav, Karunesh; Kumawat, Mukesh Kumar; Srivastava, Rohit; Ravikanth, M.","Benzothiazoles-substituted tetraphenylethylenes: synthesis, structure, aggregation-induced emission and biological studies","Materials Chemistry Frontiers","2017","1","6","1207","","10.1039/C6QM00374E","","","0.71075","MoKα","","0.0933","0.0723","","","0.1448","0.1561","","","","","","1.132","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553416","13.352","0.004","16.32","0.005","17.943","0.005","99.33","0.004","104.402","0.0016","108.992","0.003","3452.4","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 N2 O2 S2 -","- C42 H30 N2 O2 S2 -","- C168 H120 N8 O8 S8 -","4","2","","Keshav, Karunesh; Kumawat, Mukesh Kumar; Srivastava, Rohit; Ravikanth, M.","Benzothiazoles-substituted tetraphenylethylenes: synthesis, structure, aggregation-induced emission and biological studies","Materials Chemistry Frontiers","2017","1","6","1207","","10.1039/C6QM00374E","","","0.71075","MoKα","","0.0989","0.0733","","","0.1649","0.1808","","","","","","1.101","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553417","11.4427","0.0017","14.514","0.002","16.196","0.003","65.694","0.005","69.783","0.005","73.998","0.005","2272.2","0.6","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","ZnTETA","","- C78 H82 N4 O16 Zn3 -","- C78 H82 N4 O16 Zn3 -","- C78 H82 N4 O16 Zn3 -","1","0.5","","King, Stephen Charles; Lin, Rui-Biao; Wang, Hailong; Arman, Hadi D.; Chen, Banglin","Two-dimensional metal‒organic frameworks for selective separation of CO2/CH4 and CO2/N2","Materials Chemistry Frontiers","2017","1","8","1514","","10.1039/C6QM00375C","","","0.71073","MoKα","","0.172","0.1319","","","0.318","0.3495","","","","","","1.059","","","","has coordinates,has disorder","234971","2020-10-21","18:00:00",""
"1553652","7.7618","0.0005","14.0412","0.0008","13.1959","0.0008","90","","92.959","0.006","90","","1436.24","0.15","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methylpyridinium iodobismuthate","","- C6 H8 Bi I4 N -","- C6 H8 Bi I4 N -","- C24 H32 Bi4 I16 N4 -","4","1","","Li, Tianyue; Hu, Yue; Morrison, Carole A.; Wu, Wenjun; Han, Hongwei; Robertson, Neil","Lead-free pseudo-three-dimensional organic‒inorganic iodobismuthates for photovoltaic applications","Sustainable Energy & Fuels","2017","1","2","308","","10.1039/C6SE00061D","","x-ray","0.71073","MoKα","","0.0659","0.0427","","","0.075","0.0784","","","","","","0.924","","","","has coordinates","235375","2020-10-21","18:00:00",""
"1553653","12.6997","0.0003","28.3198","0.0006","7.716","0.0002","90","","95.288","0.001","90","","2763.27","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridinium iodobismuthate","","- C5 H6 Bi I4 N -","- C5 H6 Bi I4 N -","- C40 H48 Bi8 I32 N8 -","8","2","","Li, Tianyue; Hu, Yue; Morrison, Carole A.; Wu, Wenjun; Han, Hongwei; Robertson, Neil","Lead-free pseudo-three-dimensional organic‒inorganic iodobismuthates for photovoltaic applications","Sustainable Energy & Fuels","2017","1","2","308","","10.1039/C6SE00061D","","","0.71073","MoKα","","0.0859","0.0634","","","0.165","0.1785","","","","","","1.102","","","","has coordinates","235375","2020-10-21","18:00:00",""
"1553662","16.2355","0.0011","14.4863","0.0009","17.7924","0.0011","90","","106.064","0.004","90","","4021.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3b","","- C46 H38 N6 O4 S2 -","- C46 H38 N6 O4 S2 -","- C184 H152 N24 O16 S8 -","4","1","","Zhao, Xueqian; Ge, Congwu; Yang, Xiaodi; Gao, Xike","Dithieno[3,2-a:3′,2′-j][5,6,11,12]chrysene diimides and their molecular energy level regulation","Materials Chemistry Frontiers","2017","1","8","1635","","10.1039/C7QM00030H","","","1.54178","CuKα","","0.1051","0.0729","","","0.1869","0.213","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553663","5.641","0.003","9.315","0.007","19.216","0.009","90","","103.97","0.02","90","","979.9","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 S2 -","- C26 H18 S2 -","- C52 H36 S4 -","2","0.5","","Zhang, Jibo; Ma, Suqian; Fang, Honghua; Xu, Bin; Sun, Hongbo; Chan, Im; Tian, Wenjing","Insights into the origin of aggregation enhanced emission of 9,10-distyrylanthracene derivatives","Materials Chemistry Frontiers","2017","1","7","1422","","10.1039/C7QM00032D","","","0.71073","MoKα","","0.0684","0.053","","","0.1571","0.1675","","","","","","1.086","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553664","6.418","0.003","8.632","0.004","14.198","0.006","74.951","0.006","81.658","0.007","86.211","0.007","751.2","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 B F2 N2 -","- C19 H15 B F2 N2 -","- C38 H30 B2 F4 N4 -","2","1","","Yamaguchi, Madoka; Ito, Shunichiro; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Control of aggregation-induced emission versus fluorescence aggregation-caused quenching by bond existence at a single site in boron pyridinoiminate complexes","Materials Chemistry Frontiers","2017","1","8","1573","","10.1039/C7QM00076F","","","0.71075","MoKα","","0.0713","0.0596","","","0.1541","0.1623","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553665","9.2376","0.0008","11.5433","0.0011","13.4497","0.0011","90","","98.264","0.007","90","","1419.3","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F2 N2 -","- C19 H13 B F2 N2 -","- C76 H52 B4 F8 N8 -","4","1","","Yamaguchi, Madoka; Ito, Shunichiro; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Control of aggregation-induced emission versus fluorescence aggregation-caused quenching by bond existence at a single site in boron pyridinoiminate complexes","Materials Chemistry Frontiers","2017","1","8","1573","","10.1039/C7QM00076F","","","0.71075","MoKα","","0.0627","0.049","","","0.1448","0.172","","","","","","1.087","","","","has coordinates","235876","2020-10-21","18:00:00",""
"1553666","10.2226","0.001","10.3008","0.001","12.2126","0.0012","74.477","0.005","67.707","0.005","71.185","0.005","1110.69","0.19","190","2","190.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Hg I2 N2 S2 -","- C20 H14 Hg I2 N2 S2 -","- C40 H28 Hg2 I4 N4 S4 -","2","1","","Gabr, Moustafa T.; Christopher Pigge, F.","A turn-on AIE active fluorescent sensor for Hg2+ by combination of 1,1-bis(2-pyridyl)ethylene and thiophene/bithiophene fragments","Materials Chemistry Frontiers","2017","1","8","1654","","10.1039/C7QM00085E","","","0.71073","MoKα","","0.0275","0.0211","","","0.0429","0.0478","","","","","","1.155","","","","has coordinates,has disorder","235878","2020-10-21","18:00:00",""
"1553667","14.7047","0.0004","14.7047","0.0004","23.9058","0.0008","90","","90","","120","","4476.6","0.2","103","4","103","4","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H16 Cl4 N4 O2 -","- C18 H15.784 Cl4 N2.66667 O2 -","- C162 H142.056 Cl36 N24 O18 -","9","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0705","0.07","","","0.1908","0.1915","","","","","","1.074","","","","has coordinates,has disorder","235880","2020-10-21","18:00:00",""
"1553668","9.8325","0.001","11.2257","0.001","22.882","0.002","90","","98.783","0.009","90","","2496","0.4","292.76","0.15","292.76","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N4 O3 -","- C27 H30 N4 O3 -","- C108 H120 N16 O12 -","4","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","0.71073","MoKα","","0.1107","0.0795","","","0.1734","0.2045","","","","","","1.091","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553669","14.4761","0.0005","14.4761","0.0005","40.5191","0.0019","90","","90","","120","","7353.5","0.5","294.37","0.1","294.37","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H18 F2 N2.67 O2 -","- C18 H18 F2 N2.66667 O2 -","- C324 H324 F36 N48 O36 -","18","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0755","0.0681","","","0.168","0.179","","","","","","1.064","","","","has coordinates","235880","2020-10-21","18:00:00",""
"1553670","6.29545","0.00012","15.9502","0.0004","28.8235","0.0007","90","","90","","90","","2894.27","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 N4 O6 -","- C30 H34 N4 O6 -","- C120 H136 N16 O24 -","4","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0621","0.0576","","","0.1545","0.164","","","","","","1.028","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553671","12.9272","0.0004","13.0256","0.0004","23.4928","0.0006","82.005","0.002","79.707","0.002","86.311","0.002","3851.2","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H54 N4 O3 -","- C39 H54 N4 O3 -","- C156 H216 N16 O12 -","4","2","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0882","0.0752","","","0.2199","0.2383","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553672","15.43","0.02","10.791","0.017","10.129","0.015","90","","101.94","0.03","90","","1650","4","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(4-(azepan-1-yl)phenyl)-3-hydroxy-3-phenylprop-2-en-1-one","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Wang, Fang; DeRosa, Christopher A.; Daly, Margaret L.; Song, Daniel; Fraser, Cassandra L.","Multi-stimuli responsive luminescent azepane-substituted β-diketones and difluoroboron complexes.","Materials chemistry frontiers","2017","1","9","1866","1874","10.1039/C7QM00137A","","","0.71073","MoKα","","0.1515","0.0536","","","0.1383","0.2092","","","","","","0.977","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553673","9.4456","0.0006","9.9577","0.0006","16.2906","0.001","102.183","0.005","93.914","0.005","93.086","0.005","1490.57","0.16","170.2","","170.2","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C84 H58 N2 O4 -","2","1","","Peng, Zhixing; Huang, Kai; Tao, Yuhan; Li, Xihui; Zhang, Lianpeng; Lu, Ping; Wang, Yanguang","Turning on the solid emission from non-emissive 2-aryl-3-cyanobenzofurans by tethering tetraphenylethene for green electroluminescence","Materials Chemistry Frontiers","2017","1","9","1858","","10.1039/C7QM00145B","","","0.71073","MoKα","","0.1104","0.0844","","","0.1748","0.1896","","","","","","1.11","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553674","9.4088","0.0007","11.452","0.0008","15.1598","0.0009","90.309","0.005","105.929","0.006","93.468","0.006","1567.45","0.19","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C84 H58 N2 O4 -","2","1","","Peng, Zhixing; Huang, Kai; Tao, Yuhan; Li, Xihui; Zhang, Lianpeng; Lu, Ping; Wang, Yanguang","Turning on the solid emission from non-emissive 2-aryl-3-cyanobenzofurans by tethering tetraphenylethene for green electroluminescence","Materials Chemistry Frontiers","2017","1","9","1858","","10.1039/C7QM00145B","","","0.71073","MoKα","","0.0904","0.0502","","","0.1029","0.1273","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553675","18.2932","0.001","19.3313","0.0009","9.1613","0.0006","90","","103.67","0.006","90","","3148","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C168 H116 N4 O8 -","4","1","","Peng, Zhixing; Huang, Kai; Tao, Yuhan; Li, Xihui; Zhang, Lianpeng; Lu, Ping; Wang, Yanguang","Turning on the solid emission from non-emissive 2-aryl-3-cyanobenzofurans by tethering tetraphenylethene for green electroluminescence","Materials Chemistry Frontiers","2017","1","9","1858","","10.1039/C7QM00145B","","","0.71073","MoKα","","0.1067","0.0593","","","0.139","0.1674","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553676","9.102","0.003","14.511","0.004","17.16","0.005","66.114","0.003","88.537","0.004","80.515","0.004","2041.9","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H43 Cu2 I2 N5 O2 S3 -","- C37 H43 Cu2 I2 N5 O2 S3 -","- C74 H86 Cu4 I4 N10 O4 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.0568","0.0411","","","0.0964","0.105","","","","","","1.026","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553677","9.4203","0.0006","14.3226","0.0009","17.3309","0.0012","65.977","0.003","77.856","0.003","79.467","0.003","2075.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H27 Cu2 I2 N3 O S3 -","- C34 H27 Cu2 I2 N3 O1.01 S3 -","- C68 H54 Cu4 I4 N6 O2.02 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","1.54184","CuKα","","0.0892","0.0688","","","0.2128","0.2592","","","","","","1.059","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553678","9.174","0.006","14.442","0.01","17.023","0.011","113.404","0.008","90.013","0.008","99.203","0.008","2038","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H34 Cu2 I2 N4 O S3 -","- C30 H34 Cu2 I2 N4 O S3 -","- C60 H68 Cu4 I4 N8 O2 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.0977","0.0643","","","0.1914","0.2156","","","","","","1.053","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553679","8.962","0.003","14.515","0.004","16.577","0.005","112.653","0.003","91.205","0.004","98.338","0.003","1962","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Cu2 I2 N5 S3 -","- C31 H33 Cu2 I2 N5 S3 -","- C62 H66 Cu4 I4 N10 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.0657","0.0474","","","0.1371","0.149","","","","","","1.025","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553680","9.353","0.006","14.189","0.009","17.257","0.01","113.336","0.007","94.402","0.007","100.137","0.007","2043","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H39 Cu2 I2 N3 O2 S5 -","- C31 H39 Cu2 I2 N3 O2 S5 -","- C62 H78 Cu4 I4 N6 O4 S10 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.1182","0.0655","","","0.1788","0.2093","","","","","","1.062","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553681","9.252","0.004","14.347","0.007","17.158","0.008","113.914","0.006","91.45","0.006","99.705","0.005","2041.1","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H45 Cu2 I2 N5 O2 S3 -","- C35 H42 Cu2 I2 N5 O2 S3 -","- C70 H84 Cu4 I4 N10 O4 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.1014","0.0625","","","0.1806","0.2102","","","","","","1.078","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553682","6.1493","0.0013","12.443","0.003","19.762","0.004","90","","90","","90","","1512.1","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C68 H64 I4 N4 O8 -","4","1","","Butler, Tristan; Wang, Fang; Sabat, Michal; Fraser, Cassandra L.","Controlling solid-state optical properties of stimuli responsive dimethylamino-substituted dibenzoylmethane materials","Materials Chemistry Frontiers","2017","1","9","1804","","10.1039/C7QM00157F","","","0.71073","MoKα","","0.0167","0.0165","","","0.0426","0.0427","","","","","","1.827","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553683","12.8501","0.0018","12.8501","0.0018","15.709","0.003","90","","90","","120","","2246.4","0.6","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C9 H4 N2 O4 Y0.33 -","- C9 H4 N2 O4 Y0.333333 -","- C54 H24 N12 O24 Y2 -","6","1","","Liu, Kang; Li, Xu; Ma, Dingxuan; Han, Yi; Li, Baiyan; Shi, Zhan; Li, Zhenjiang; Wang, Lei","A microporous yttrium metal‒organic framework of an unusual nia topology for high adsorption selectivity of C2H2and CO2over CH4at room temperature","Materials Chemistry Frontiers","2017","1","10","1982","","10.1039/C7QM00164A","","","0.71073","MoKα","","0.0345","0.0325","","","0.089","0.0897","","","","","","1.084","","","","has coordinates","235890","2020-10-21","18:00:00",""
"1553684","8.3884","0.0008","8.4668","0.0005","14.2802","0.0012","95.006","0.006","94.479","0.007","113.925","0.007","916.34","0.14","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N3 Ni0.5 -","- C22 H24 N3 Ni0.5 -","- C44 H48 N6 Ni -","2","1","","Yoshida, Takuya; Shinokubo, Hiroshi","Direct amination of the antiaromatic NiII norcorrole","Materials Chemistry Frontiers","2017","1","9","1853","","10.1039/C7QM00176B","","","0.71073","MoKα","","0.0521","0.046","","","0.1147","0.1197","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553685","24.2035","0.0013","9.4392","0.0005","24.306","0.0015","90","","109.203","0.002","90","","5244","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 N2 O3 -","- C37 H24 N2 O3 -","- C296 H192 N16 O24 -","8","2","","Gan, Shifeng; Zhou, Jian; Smith, Trevor A.; Su, Huifang; Luo, Wenwen; Hong, Yuning; Zhao, Zujin; Tang, Ben Zhong","New AIEgens with delayed fluorescence for fluorescence imaging and fluorescence lifetime imaging of living cells","Materials Chemistry Frontiers","2017","1","12","2554","","10.1039/C7QM00286F","","","0.71073","MoKα","","0.1271","0.0541","","","0.1016","0.1227","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553686","8.4792","0.0008","29.902","0.002","7.9399","0.0009","90","","117.656","0.013","90","","1783.1","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","1","","Gan, Shifeng; Zhou, Jian; Smith, Trevor A.; Su, Huifang; Luo, Wenwen; Hong, Yuning; Zhao, Zujin; Tang, Ben Zhong","New AIEgens with delayed fluorescence for fluorescence imaging and fluorescence lifetime imaging of living cells","Materials Chemistry Frontiers","2017","1","12","2554","","10.1039/C7QM00286F","","","0.71073","MoKα","","0.0641","0.0423","","","0.0896","0.1005","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553687","7.3698","0.0002","10.7294","0.0003","27.0518","0.0009","90","","90.5158","0.0009","90","","2138.99","0.11","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N3 O2 -","- C29 H23 N3 O2 -","- C116 H92 N12 O8 -","4","1","","Tokuo, Kokichi; Sakai, Hayato; Sakanoue, Tomo; Takenobu, Taishi; Araki, Yasuyuki; Wada, Takehiko; Hasobe, Taku","Control of the electrochemical and photophysical properties of N-substituted benzo[ghi]perylene derivatives","Materials Chemistry Frontiers","2017","1","11","2299","","10.1039/C7QM00301C","","","0.71075","MoKα","","","0.0666","","","","0.1854","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553688","18.4455","0.0006","18.4455","0.0006","26.4268","0.0005","90","","90","","120","","7786.7","0.4","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C27 H18 Cu2 O11 -","- C28 H15 Cu2 O11 -","- C168 H90 Cu12 O66 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54184","CuKα","","0.1875","0.1593","","","0.5094","0.5563","","","","","","1.03","","","","has coordinates","235898","2020-10-21","18:00:00",""
"1553689","18.2664","0.0005","18.2664","0.0005","26.5488","0.0006","90","","90","","120","","7671.5","0.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C28 H20 Cu2 O11 -","- C28.5 H11 Cu2 O11 -","- C171 H66 Cu12 O66 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54178","CuKα","","0.1928","0.151","","","0.4674","0.4955","","","","","","1.643","","","","has coordinates,has disorder","235898","2020-10-21","18:00:00",""
"1553690","18.315","0.0007","18.315","0.0007","26.7665","0.0014","90","","90","","120","","7775.6","0.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H48 Cu2 N4 O16 -","- C26 H12 Cu2 O10 -","- C156 H72 Cu12 O60 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54184","CuKα","","0.1969","0.1205","","","0.3686","0.4127","","","","","","1.103","","","","has coordinates","235898","2020-10-21","18:00:00",""
"1553691","14.768","0.016","15.377","0.017","16.689","0.018","90","","90","","90","","3790","7","296","2","296","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","ZZ-HPB-CN","","- C48 H30 N4 -","- C48 H30 N4 -","- C192 H120 N16 -","4","0.5","","Zhang, Yahui; Kong, Lingwei; Mao, Huiling; Pan, Xiaoling; Shi, Jianbing; Tong, Bin; Dong, Yuping","Light/temperature-enhanced emission characteristics of malononitrile-containing hexaphenyl-1,3-butadiene derivatives: the hotter, the brighter","Materials Chemistry Frontiers","2017","1","12","2569","","10.1039/C7QM00304H","","","0.71073","MoKα","","0.1352","0.0576","","","0.1442","0.1904","","","","","","0.943","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553692","10.3419","0.0012","16.4056","0.0015","20.936","0.002","90","","100.537","0.011","90","","3492.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H20 B0.5 -","- C23.5 H20 B0.5 -","- C188 H160 B4 -","8","1","","Chi, Weijie; Yin, Wenting; Qi, Qingkai; Qiao, Qinglong; Lin, Yuyan; Zhu, Zhuohui; Vijayan, Sindhu; Hashimoto, Michinao; Udayakumar, Gayathri; Xu, Zhaochao; Liu, Xiaogang","Ground-state conformers enable bright single-fluorophore ratiometric thermometers with positive temperature coefficients","Materials Chemistry Frontiers","2017","1","11","2383","","10.1039/C7QM00345E","","","0.7107","MoKα","","0.1682","0.0829","","","0.2097","0.2768","","","","","","1.027","","","","has coordinates","235903","2020-10-21","18:00:00",""
"1553693","7.9955","0.0014","11.139","0.002","14.735","0.003","87.095","0.006","78.445","0.006","81.208","0.006","1270.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 B Br2 N -","- C29 H34 B Br2 N -","- C58 H68 B2 Br4 N2 -","2","1","","Matsumoto, Takuya; Takamine, Hirofumi; Tanaka, Kazuo; Chujo, Yoshiki","Design of bond-cleavage-induced intramolecular charge transfer emission with dibenzoboroles and their application to ratiometric sensors for discriminating chain lengths of alkanes","Materials Chemistry Frontiers","2017","1","11","2368","","10.1039/C7QM00350A","","","0.71075","MoKα","","0.1758","0.084","","","0.1671","0.2049","","","","","","0.96","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553694","19.61","0.002","15.469","0.002","20.516","0.002","90","","107.135","0.011","90","","5947.2","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 Br2 N O2 -","- C38 H27 Br2 N O2 -","- C304 H216 Br16 N8 O16 -","8","1","","Gopikrishna, Peddaboodi; Raman Adil, Laxmi; Iyer, Parameswar Krishnan","Bridge-driven aggregation control in dibenzofulvene–naphthalimide based donor–bridge–acceptor systems: enabling fluorescence enhancement, blue to red emission and solvatochromism","Materials Chemistry Frontiers","2017","1","12","2590","","10.1039/C7QM00357A","","","0.71073","MoKα","","0.1421","0.0436","","","0.1186","0.187","","","","","","0.985","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553695","11.2762","0.0006","13.9376","0.0008","17.8045","0.0011","90","","101.143","0.004","90","","2745.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 N O2 -","- C38 H29 N O2 -","- C152 H116 N4 O8 -","4","1","","Gopikrishna, Peddaboodi; Raman Adil, Laxmi; Iyer, Parameswar Krishnan","Bridge-driven aggregation control in dibenzofulvene–naphthalimide based donor–bridge–acceptor systems: enabling fluorescence enhancement, blue to red emission and solvatochromism","Materials Chemistry Frontiers","2017","1","12","2590","","10.1039/C7QM00357A","","","0.71073","MoKα","","0.1213","0.0545","","","0.1472","0.1844","","","","","","0.978","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1556266","10.42","0.0017","12.888","0.002","19.103","0.003","90","","90","","90","","2565.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C112 H108 N4 O24 -","4","1","","Wang, Ming; Shi, Yu-Hua; Luo, Jun-Fei; Du, Wenting; Shi, Xiao-Xin; Fossey, John S.; Deng, Wei-Ping","Novel N,O-Cu(OAc)2 complex catalysed diastereo- and enantioselective 1,4-addition of glycine derivatives to alkylidene malonates","Catalysis Science & Technology","2011","1","1","100","","10.1039/c0cy00001a","","","0.71073","MoKα","","0.0463","0.035","","","0.0814","0.0852","","","","","","0.983","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556267","29.331","0.006","10.775","0.002","15.226","0.003","90","","105.3","0.03","90","","4641.5","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Br2 N2 Ni -","- C24 H28 Br2 N2 Ni -","- C192 H224 Br16 N16 Ni8 -","8","1","","Song, Shengju; Xiao, Tianpengfei; Liang, Tongling; Wang, Fosong; Redshaw, Carl; Sun, Wen-Hua","Synthesis, characterization and ethylene oligomerization behaviour of 8-(1-aryliminoethylidene)quinaldinylnickel dihalides","Catalysis Science & Technology","2011","1","1","69","","10.1039/c0cy00002g","","","0.71073","MoKα","","0.0899","0.0755","","","0.1768","0.1857","","","","","","1.062","","","","has coordinates","244133","2020-10-21","18:00:00",""
"1556268","15.834","0.003","8.6441","0.0017","17.665","0.004","90","","114.28","0.03","90","","2204","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Br2 N2 Ni -","- C23 H26 Br2 N2 Ni -","- C92 H104 Br8 N8 Ni4 -","4","1","","Song, Shengju; Xiao, Tianpengfei; Liang, Tongling; Wang, Fosong; Redshaw, Carl; Sun, Wen-Hua","Synthesis, characterization and ethylene oligomerization behaviour of 8-(1-aryliminoethylidene)quinaldinylnickel dihalides","Catalysis Science & Technology","2011","1","1","69","","10.1039/c0cy00002g","","","0.71073","MoKα","","","0.0855","","","0.1501","0.1581","","","","","","1.368","","","","has coordinates","244133","2020-10-21","18:00:00",""
"1556269","17.0585","0.0015","17.1534","0.0016","19.5448","0.0017","90","","90.797","0.002","90","","5718.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H53 Cl4 O5 P5 Rh2 -","- C60 H53 Cl4 O5 P5 Rh2 -","- C240 H212 Cl16 O20 P20 Rh8 -","4","1","","Castro, Pascal M.; Gulyás, Henrik; Benet-Buchholz, Jordi; Bo, Carles; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPOs as new ligands in Rh(iii) catalyzed enantioselective transfer hydrogenation","Catalysis Science & Technology","2011","1","3","401","","10.1039/c0cy00022a","","","0.71073","MoKα","","0.0775","0.0379","","","0.0842","0.1049","","","","","","1.074","","","","has coordinates,has disorder","244134","2020-10-21","18:00:00",""
"1556270","12.5877","0.0004","12.5877","0.0004","29.1803","0.0011","90","","90","","120","","4004.2","0.2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44 H48 F6 O12 S8 Zn -","- C44 H48 F6 O12 S8 Zn -","- C132 H144 F18 O36 S24 Zn3 -","3","0.166667","","Enthaler, Stephan","A straightforward zinc-catalysed reduction of sulfoxides to sulfides","Catalysis Science & Technology","2011","1","1","104","","10.1039/c0cy00039f","","","0.71073","MoKα","","0.0423","0.0301","","","0.0716","0.0746","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556271","10.5817","0.0004","13.8939","0.0005","19.8576","0.0008","83.554","0.003","88.085","0.003","73.117","0.003","2775.99","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.33 H0 F4 O6.67 S4 Zn0.67 -","- C37.3333 H26.6667 F4 O6.66667 S4 Zn0.666667 -","- C112 H80 F12 O20 S12 Zn2 -","3","1.5","","Enthaler, Stephan","A straightforward zinc-catalysed reduction of sulfoxides to sulfides","Catalysis Science & Technology","2011","1","1","104","","10.1039/c0cy00039f","","","0.71073","MoKα","","0.1276","0.0561","","","0.101","0.1177","","","","","","0.821","","","","has coordinates","244135","2020-10-21","18:00:00",""
"1556272","22.1091","0.0011","10.4184","0.0003","18.2639","0.0008","90","","118.495","0.006","90","","3697.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N O5 P -","- C18 H22 N O5 P -","- C144 H176 N8 O40 P8 -","8","1","","Kidwai, Mazaahir; Bhardwaj, Saurav; Mishra, Neeraj Kumar; Jain, Arti; Kumar, Ajeet; Mozzumdar, Subho","Application of mobilized Cu-nanoparticles as heterogeneous catalyst for the synthesis of α-amino phosphonates via A2-P coupling","Catalysis Science & Technology","2011","1","3","426","","10.1039/c0cy00060d","","","0.71073","MoKα","","0.1878","0.1463","","","0.3717","0.4034","","","","","","1.428","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556279","11.337","0.002","15.712","0.003","11.611","0.002","90","","95.49","0.03","90","","2058.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl2 Co N2 -","- C22 H24 Cl2 Co N2 -","- C88 H96 Cl8 Co4 N8 -","4","1","","Xiao, Tianpengfei; Lai, Jingjuan; Zhang, Shu; Hao, Xiang; Sun, Wen-Hua","2-(1-Aryliminopropylidene)quinolylcobalt(ii) dichlorides: synthesis, characterization and catalytic behaviour towards ethylene","Catalysis Science & Technology","2011","1","3","462","","10.1039/c1cy00028d","","","0.71073","MoKα","","","0.0574","","","0.1313","0.1336","","","","","","1.2","","","","has coordinates,has disorder","244144","2020-10-21","18:00:00",""
"1556280","10.125","0.002","16.885","0.003","13.533","0.003","90","","90.01","0.03","90","","2313.6","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl2 Co N2 -","- C24 H28 Cl2 Co N2 -","- C96 H112 Cl8 Co4 N8 -","4","1","","Xiao, Tianpengfei; Lai, Jingjuan; Zhang, Shu; Hao, Xiang; Sun, Wen-Hua","2-(1-Aryliminopropylidene)quinolylcobalt(ii) dichlorides: synthesis, characterization and catalytic behaviour towards ethylene","Catalysis Science & Technology","2011","1","3","462","","10.1039/c1cy00028d","","","0.71073","MoKα","","","0.0537","","","0.1082","0.1117","","","","","","1.113","","","","has coordinates,has disorder","244144","2020-10-21","18:00:00",""
"1556281","8.4832","0.0012","11.5025","0.0016","24.14","0.003","90","","94.873","0.012","90","","2347","0.6","180","","180","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N O4 V -","- C24 H34 N O4 V -","- C96 H136 N4 O16 V4 -","4","1","","Lorber, Christian; Despagnet-Ayoub, Emmanuelle; Vendier, Laure; Arbaoui, Abdessamad; Redshaw, Carl","Amine influence in vanadium-based ethylene polymerisation pro-catalysts bearing bis(phenolate) ligands with ‘pendant’ arms","Catalysis Science & Technology","2011","1","3","489","","10.1039/c1cy00089f","","","0.71073","MoKα","","0.1833","0.0681","","","0.1089","0.1377","","","","","","0.959","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556282","23.852","0.005","13.832","0.003","16.89","0.003","90","","118.68","0.03","90","","4889","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl2 N2 O Ti -","- C26 H26 Cl2 N2 O Ti -","- C208 H208 Cl16 N16 O8 Ti8 -","8","1","","Huang, Wei; Li, Baixiang; Wang, Youhong; Zhang, Wenjuan; Wang, Lin; Li, Yuesheng; Sun, Wen-Hua; Redshaw, Carl","Synthesis, characterization and ethylene (co-)polymerization behavior of half-titanocene 2-(1-(arylimino)ethyl)quinolin-8-olate chlorides","Catalysis Science & Technology","2011","1","7","1208","","10.1039/c1cy00193k","","","0.71073","MoKα","","","0.0673","","","0.1805","0.1862","","","","","","1.191","","","","has coordinates","244146","2020-10-21","18:00:00",""
"1556283","17.098","0.003","8.1446","0.0016","17.624","0.004","90","","98.7","0.03","90","","2426","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl2 N2 O Ti -","- C27 H28 Cl2 N2 O Ti -","- C108 H112 Cl8 N8 O4 Ti4 -","4","1","","Huang, Wei; Li, Baixiang; Wang, Youhong; Zhang, Wenjuan; Wang, Lin; Li, Yuesheng; Sun, Wen-Hua; Redshaw, Carl","Synthesis, characterization and ethylene (co-)polymerization behavior of half-titanocene 2-(1-(arylimino)ethyl)quinolin-8-olate chlorides","Catalysis Science & Technology","2011","1","7","1208","","10.1039/c1cy00193k","","","0.71073","MoKα","","0.0771","0.0712","","","0.172","0.1799","","","","","","1.247","","","","has coordinates,has disorder","244146","2020-10-21","18:00:00",""
"1556284","8.4783","0.0003","11.6061","0.0004","13.1535","0.0005","67.125","0.004","89.797","0.003","68.971","0.004","1099.1","0.09","293","2","293","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C16 H24 Cl2 N2 O4 Pd S2 -","- C16 H24 Cl2 N2 O4 Pd S2 -","- C32 H48 Cl4 N4 O8 Pd2 S4 -","2","1","","Tomás-Mendivil, Eder; Díez, Josefina; Cadierno, Victorio","Conjugate addition of arylboronic acids to α,β-unsaturated carbonyl compounds in aqueous medium using Pd(ii) complexes with dihydroxy-2,2′-bipyridine ligands: homogeneous or heterogeneous nano-catalysis?","Catalysis Science & Technology","2011","1","9","1605","","10.1039/c1cy00214g","","","1.5418","CuKα","","0.0335","0.0313","","","0.0816","0.0839","","","","","","1.06","","","","has coordinates,has disorder","244147","2020-10-21","18:00:00",""
"1556285","7.6738","0.0003","10.4974","0.0004","12.5545","0.0004","112.689","0.003","90.017","0.003","108.646","0.003","875.2","0.06","293","2","293","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C14 H14 Cl2 N2 O5 Pd S -","- C14 H14 Cl2 N2 O5 Pd S -","- C28 H28 Cl4 N4 O10 Pd2 S2 -","2","1","","Tomás-Mendivil, Eder; Díez, Josefina; Cadierno, Victorio","Conjugate addition of arylboronic acids to α,β-unsaturated carbonyl compounds in aqueous medium using Pd(ii) complexes with dihydroxy-2,2′-bipyridine ligands: homogeneous or heterogeneous nano-catalysis?","Catalysis Science & Technology","2011","1","9","1605","","10.1039/c1cy00214g","","","1.5418","CuKα","","0.0288","0.0251","","","0.064","0.0662","","","","","","1.039","","","","has coordinates,has disorder","244147","2020-10-21","18:00:00",""
"1556386","9.2391","0.0003","17.1518","0.0006","22.2035","0.0006","90","","90","","90","","3518.53","0.19","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N -","- C21 H27 N -","- C168 H216 N8 -","8","1","","Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming","Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4","Org. Chem. Front.","2014","1","1","62","","10.1039/C3QO00006K","","","0.71073","MoKα","","0.0676","0.0479","","","0.1184","0.132","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556387","13.1716","0.0007","8.3809","0.0005","20.39","0.0012","90","","127.363","0.004","90","","1789","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N -","- C21 H27 N -","- C84 H108 N4 -","4","1","","Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming","Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4","Org. Chem. Front.","2014","1","1","62","","10.1039/C3QO00006K","","","0.71073","MoKα","","0.0875","0.0533","","","0.1332","0.1538","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556388","9.129","0.0018","12.58","0.003","15.035","0.003","81.14","0.03","73.69","0.03","70.31","0.03","1556.9","0.7","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H40 -","- C40 H40 -","- C80 H80 -","2","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.1273","0.0554","","","0.118","0.1309","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556389","35.265","0.007","19.026","0.004","21.174","0.004","90","","122.27","0.03","90","","12012","6","143","2","143","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 -","- C32 H56 -","- C512 H896 -","16","2","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.1197","0.0548","","","0.1098","0.1208","","","","","","0.987","","","","has coordinates","244430","2020-10-21","18:00:00",""
"1556390","11.409","0.002","8.8005","0.0018","24.458","0.005","90","","102.84","0.03","90","","2394.3","0.9","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C136 H96 O8 -","4","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.087","0.0744","","","0.1312","0.137","","","","","","1.217","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556391","9.1769","0.0018","10.289","0.002","14.62","0.003","90","","90","","90","","1380.4","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.0534","0.0499","","","0.121","0.1232","","","","","","1.168","","","","has coordinates,has disorder","244430","2020-10-21","18:00:00",""
"1556392","12.6639","0.0004","16.9311","0.0006","13.604","0.0004","90","","92.886","0.003","90","","2913.19","0.16","180.15","","180.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 -","- C40 H36 -","- C160 H144 -","4","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.059","0.0436","","","0.0997","0.109","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556393","9.466","0.006","12.4249","0.0008","13.3396","0.0011","90","","90","","90","","1568.9","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Br N3 O -","- C16 H16 Br N3 O -","- C64 H64 Br4 N12 O4 -","4","1","","Fu, Niankai; Zhang, Long; Luo, Sanzhong; Cheng, Jin-Pei","Chiral primary amine catalysed asymmetric conjugate addition of azoles to α-substituted vinyl ketones","Org. Chem. Front.","2014","1","1","68","","10.1039/C3QO00027C","","","0.71073","MoKα","","0.0299","0.0286","","","0.0677","0.0684","","","","","","1.115","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556394","5.8858","0.0003","9.0384","0.0004","23.4473","0.0011","91.943","0.002","92.404","0.001","99.656","0.002","1227.54","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Br2 N O4 -","- C25 H23 Br2 N O4 -","- C50 H46 Br4 N2 O8 -","2","1","","Xu, Xinfang; Guo, Xin; Han, Xingchun; Yang, Liping; Hu, Wenhao","Highly diasteroselective intermolecular 1,3-dipolar cycloaddition reactions of carbonyl ylides with aldimines to afford sterically disfavored cis-oxazolidines","Organic Chemistry Frontiers","2014","1","2","181","","10.1039/c3qo00040k","","","0.71073","MoKα","","0.0711","0.051","","","0.1304","0.1452","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556395","17.548","0.004","24.274","0.005","14.468","0.003","90","","90","","90","","6163","2","173","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C74 H72 O12 -","- C74 H72 O12 -","- C296 H288 O48 -","4","0.5","","Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng","Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives","Organic Chemistry Frontiers","2014","1","2","140","","10.1039/c3qo00055a","","","0.71073","MoKα","","0.1395","0.1251","","","0.3265","0.3503","","","","","","1.336","","","","has coordinates,has disorder","244433","2020-10-21","18:00:00",""
"1556396","11.466","0.002","11.708","0.002","13.256","0.003","69.828","0.009","73.892","0.009","72.609","0.009","1563.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H62 Cl6 O8 -","- C68 H62 Cl6 O8 -","- C68 H62 Cl6 O8 -","1","0.5","","Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng","Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives","Organic Chemistry Frontiers","2014","1","2","140","","10.1039/c3qo00055a","","","0.71073","MoKα","","0.0925","0.0849","","","0.2311","0.2403","","","","","","1.028","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556397","11.429","0.002","11.955","0.002","12.714","0.003","72.18","0.03","70.44","0.03","70.84","0.03","1508.2","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H60 O10 -","- C66 H60 O10 -","- C66 H60 O10 -","1","0.5","","Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng","Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives","Organic Chemistry Frontiers","2014","1","2","140","","10.1039/c3qo00055a","","","0.71073","MoKα","","0.1111","0.0974","","","0.2766","0.2907","","","","","","1.099","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556398","11.493","0.002","11.851","0.002","12.708","0.003","71.48","0.03","71.12","0.03","72.93","0.03","1517.4","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H58 Br2 Cl4 O8 -","- C66 H58 Br2 Cl4 O8 -","- C66 H58 Br2 Cl4 O8 -","1","0.5","","Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng","Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives","Organic Chemistry Frontiers","2014","1","2","140","","10.1039/c3qo00055a","","","0.71073","MoKα","","0.11","0.092","","","0.2566","0.2809","","","","","","1.138","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556399","21.999","0.004","19.134","0.004","33.115","0.007","90","","98.09","0.03","90","","13800","5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H57 Cl15 O8 -","- C67 H57 Cl15 O8 -","- C536 H456 Cl120 O64 -","8","2","","Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng","Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives","Organic Chemistry Frontiers","2014","1","2","140","","10.1039/c3qo00055a","","","0.71073","MoKα","","0.1855","0.1658","","","0.3414","0.3536","","","","","","1.303","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556400","6.427","0.0007","24.105","0.002","8.3807","0.0008","90","","98.77","0.008","90","","1283.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O2 Si -","- C10 H18 O2 Si -","- C40 H72 O8 Si4 -","4","1","","Zhang, Xiaobing; Qiu, Youai; Fu, Chunling; Ma, Shengming","Highly selective 4-alkynoic acids synthesis via iron-mediated complete inversion of stereogenic carbon centers","Organic Chemistry Frontiers","2014","1","3","247","","10.1039/c3qo00066d","","","0.71073","MoKα","","0.1246","0.1016","","","0.2706","0.2869","","","","","","1.098","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556401","31.9644","0.0012","18.8421","0.0007","19.9426","0.0008","90","","93.865","0.003","90","","11983.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.7 H72.25 F12 N9.1 O9.4 P2 -","- C52.7 H67.5 F12 N9.1 O9.4 P2 -","- C421.6 H540 F96 N72.8 O75.2 P16 -","8","2","","Pun, Andrew B.; Gagnon, Kevin J.; Klivansky, Liana M.; Teat, Simon J.; Li, Zhan-Ting; Liu, Yi","Solvent-driven selective π-cation templating in dynamic assembly of interlocked molecules","Org. Chem. Front.","2014","1","2","167","","10.1039/C3QO00074E","","","0.7749","synchrotron","","0.0948","0.0747","","","0.1979","0.2139","","","","","","1.006","","","","has coordinates,has disorder","244436","2020-10-21","18:00:00",""
"1556402","13.9167","0.0006","25.8857","0.0009","30.7364","0.0011","90","","96.611","0.003","90","","10999","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94.2 H108.4 F36 N14.1 O13.8 P6 -","- C94.2 H108 F36 N14.1 O13.8 P6 -","- C376.8 H432 F144 N56.4 O55.2 P24 -","4","1","","Pun, Andrew B.; Gagnon, Kevin J.; Klivansky, Liana M.; Teat, Simon J.; Li, Zhan-Ting; Liu, Yi","Solvent-driven selective π-cation templating in dynamic assembly of interlocked molecules","Org. Chem. Front.","2014","1","2","167","","10.1039/C3QO00074E","","","0.7749","synchrotron","","0.1324","0.1088","","","0.2863","0.3083","","","","","","1.036","","","","has coordinates,has disorder","244436","2020-10-21","18:00:00",""
"1556403","8.7371","0.0017","9.2269","0.0018","12.186","0.002","89.9","0.03","72.14","0.03","80.18","0.03","920","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C42 H44 O4 S2 -","2","1","","Peng, Lingling; Zhang, Xiu; Ma, Jie; Wang, Jianbo","Ru(ii)-catalyzed rearrangement of the allenic sulfide bearing propargyl moiety: efficient formation of benzene derivatives","Org. Chem. Front.","2014","1","3","235","","10.1039/C4QO00001C","","","0.71073","MoKα","","0.0909","0.0533","","","0.1242","0.136","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556404","15.3067","0.0009","12.1443","0.0007","18.1692","0.001","90","","90","","90","","3377.5","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C160 H168 N24 -","8","1","","Kuang, Jinqiang; Chen, Bo; Ma, Shengming","Copper-mediated efficient three-component synthesis of 1,2,4-triazoles from amines and nitriles","Org. Chem. Front.","2014","1","2","186","","10.1039/C4QO00007B","","","0.71073","MoKα","","0.068","0.0379","","","0.0804","0.0943","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556405","12.2051","0.0011","18.0249","0.0018","8.7754","0.0008","90","","110.387","0.002","90","","1809.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 I N3 -","- C21 H16 I N3 -","- C84 H64 I4 N12 -","4","1","","Kuang, Jinqiang; Chen, Bo; Ma, Shengming","Copper-mediated efficient three-component synthesis of 1,2,4-triazoles from amines and nitriles","Org. Chem. Front.","2014","1","2","186","","10.1039/C4QO00007B","","","0.71073","MoKα","","0.0543","0.0392","","","0.0975","0.1069","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556446","6.20008","0.00014","7.0452","0.0002","12.577","0.0003","76.531","0.002","78.842","0.002","84.574","0.002","523.46","0.02","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 I6 N2 -","- C8 H22 I6 N2 -","- C8 H22 I6 N2 -","1","0.5","","Van Megen, M.; Reiss, G.J.","I62- Anion Composed of Two Asymmetric Triiodide Moieties: A Competition between Halogen and Hydrogen Bond","Inorganics","2013","1","","3","13","10.3390/inorganics1010003","","","0.71073","MoKα","","0.0355","0.0341","","","0.0885","0.0888","","","","","","1.668","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556447","17.7754","0.0003","13.2405","0.0002","22.6972","0.0004","90","","96.4561","0.0007","90","","5308.03","0.15","296","1","296","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H46 Cl2 N6 O8 P2 Ru -","- C59 H49 Cl2 N6 O8 P2 Ru -","- C236 H196 Cl8 N24 O32 P8 Ru4 -","4","0.5","","Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.","Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand","Inorganics","2013","1","","32","45","10.3390/inorganics1010032","","","0.71075","MoKα","","","0.0444","","","","0.1292","","","","","","1.05","","","","has coordinates","244946","2020-10-21","18:00:00",""
"1556448","17.1743","0.0004","16.1763","0.0004","21.079","0.0004","90","","97.8336","0.0007","90","","5801.4","0.2","296","1","296","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H48 F12 N6 P4 Ru -","- C64 H48 F12 N6 P4 Ru -","- C256 H192 F48 N24 P16 Ru4 -","4","1","","Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.","Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand","Inorganics","2013","1","","32","45","10.3390/inorganics1010032","","","0.71075","MoKα","","","0.058","","","","0.2164","","","","","","1.126","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556449","26.4297","0.0005","16.2228","0.0003","19.4965","0.0004","90","","114.998","0.0007","90","","7576.3","0.3","173","1","173","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H35 Cl2 N6 O2 P Ru -","- C41 H30 Cl2 N6 O1.5 P Ru -","- C328 H240 Cl16 N48 O12 P8 Ru8 -","8","1","","Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.","Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand","Inorganics","2013","1","","32","45","10.3390/inorganics1010032","","","0.71075","MoKα","","","0.0311","","","","0.0803","","","","","","1.038","","","","has coordinates","244948","2020-10-21","18:00:00",""
"1556450","9.839","0.002","12.426","0.003","19.947","0.005","106.347","0.005","96.476","0.004","98.785","0.004","2281.3","0.9","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H55 I2 N2 Nd O P2 Si2 -","- C42 H55 I2 N2 Nd O P2 Si2 -","- C84 H110 I4 N4 Nd2 O2 P4 Si4 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0505","0.0461","","","0.0898","0.0915","","","","","","1.305","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556451","16.1695","0.0008","19.5199","0.0012","14.1982","0.0008","90","","99.491","0.005","90","","4420","0.4","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 Gd I2 N2 O2 P2 Si2 -","- C39 H55 Gd I2 N2 O2 P2 Si2 -","- C156 H220 Gd4 I8 N8 O8 P8 Si8 -","4","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0951","0.0589","","","0.13","0.1518","","","","","","1.033","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556452","16.142","0.002","19.415","0.003","14.134","0.002","90","","99.341","0.002","90","","4370.8","1.1","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 I2 N2 O2 P2 Si2 Tb -","- C39 H55 I2 N2 O2 P2 Si2 Tb -","- C156 H220 I8 N8 O8 P8 Si8 Tb4 -","4","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0468","0.042","","","0.1101","0.1144","","","","","","1.038","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556453","36.332","0.002","12.8545","0.0004","21.682","0.0013","90","","122.332","0.009","90","","8556.2","1.1","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H94 I4 La2 N4 P4 Si4 -","- C76 H94 I4 La2 N4 P4 Si4 -","- C304 H376 I16 La8 N16 P16 Si16 -","4","0.5","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0771","0.057","","","0.146","0.158","","","","","","1.04","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556454","12.7851","0.0006","15.122","0.0008","17.2635","0.0009","85.091","0.002","76.608","0.002","87.266","0.002","3233.7","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H83 Gd I2 N2 O2 P2 -","- C72 H83 Gd I2 N2 O2 P2 -","- C144 H166 Gd2 I4 N4 O4 P4 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0475","0.0419","","","0.109","0.114","","","","","","1.05","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556455","12.209","0.003","13.057","0.003","17.56","0.005","80.744","0.004","75.234","0.004","77.456","0.004","2625.7","1.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H75 I2 N2 O P2 Yb -","- C47 H51 I2 N2 O P2 Yb -","- C94 H102 I4 N4 O2 P4 Yb2 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.1439","0.1097","","","0.2865","0.3027","","","","","","1.065","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556456","17.2957","0.0011","18.9502","0.0015","21.6886","0.0015","75.525","0.006","74.875","0.006","73.945","0.006","6472.4","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C157 H161 Dy N6 P6 -","- C157 H161 Dy N6 P6 -","- C314 H322 Dy2 N12 P12 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0461","0.0387","","","0.0896","0.0939","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556457","16.895","0.003","19.82","0.004","21.149","0.004","76.79","0.03","78.76","0.03","83.9","0.03","6748","2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H169 Er N6 P6 -","- C164 H169 Er N6 P6 -","- C328 H338 Er2 N12 P12 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0761","0.0577","","","0.127","0.134","","","","","","1.11","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556458","13.0112","0.0011","15.231","0.0011","17.0292","0.0012","82.761","0.006","74.997","0.007","87.043","0.007","3233.1","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H83 I2 La N4 P2 -","- C70 H83 I2 La N4 P2 -","- C140 H166 I4 La2 N8 P4 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.067","0.058","","","0.153","0.164","","","","","","1.04","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556459","26.77","0.002","18.9186","0.0016","22.445","0.002","90","","90","","90","","11367.3","1.6","90","2","90","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C63 H75 Gd I2 N4 P2 -","- C63 H75 Gd I2 N4 P2 -","- C504 H600 Gd8 I16 N32 P16 -","8","0.5","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0483","0.0314","","","0.0687","0.0758","","","","","","1.04","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556460","14.9196","0.0011","15.179","0.003","21.622","0.002","71.398","0.013","75.826","0.008","77.368","0.01","4446.6","1.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C107 H109 La N4 P4 -","- C100 H101 La N4 P4 -","- C200 H202 La2 N8 P8 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0655","0.0599","","","0.153","0.157","","","","","","1.06","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556461","13.6367","0.0015","21.346","0.002","29.1","0.003","97.388","0.002","92.382","0.002","97.146","0.002","8320.8","1.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H113 Ce N4 P4 -","- C86 H85 Ce N4 P4 -","- C344 H340 Ce4 N16 P16 -","4","2","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.149","0.122","","","0.274","0.285","","","","","","1.1","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556462","14.8733","0.0002","15.2027","0.0002","21.641","0.0003","71.3195","0.0014","75.5504","0.0012","77.6266","0.0014","4440.51","0.11","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C107 H109 N4 P4 Pr -","- C93 H93 N4 P4 Pr -","- C186 H186 N8 P8 Pr2 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0708","0.0676","","","0.178","0.182","","","","","","1.05","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556463","14.735","0.0008","15.2646","0.001","21.6185","0.0013","70.916","0.006","75.272","0.005","77.458","0.005","4396.2","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H117 Gd N4 P4 -","- C93 H93 Gd N4 P4 -","- C186 H186 Gd2 N8 P8 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.1632","0.1208","","","0.2985","0.3309","","","","","","1.022","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1567246","7.4296","0.0003","7.5187","0.0003","14.3206","0.0007","90","","94.184","0.001","90","","797.83","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Chloroisatin-3-oxime","(3<i>Z</i>)-5-Chloro-3-(hydroxyimino)indolin-2-one","","- C8 H5 Cl N2 O2 -","- C8 H5 Cl N2 O2 -","- C32 H20 Cl4 N8 O8 -","4","1","BX4003","Martins, Bianca Barreto; Gervini, Vanessa Carratu; Pires, Fabricio Carvalho; Bortoluzzi, Adailton João; de Oliveira, Adriano Bof","(3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one","IUCrData","2016","1","10","x161506","","10.1107/s2414314616015066","","x-ray","0.71073","MoKα","","0.0372","0.032","","","0.0902","0.0953","","","","","","1.052","","","","has coordinates,has Fobs","276691","2022-07-06","20:37:47",""
"2300583","8.4794","","8.4794","","8.4794","","90","","90","","90","","609.671","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zn.6 Mn.4 Fe2 O4","","- Fe2 Mn0.4 O4 Zn0.6 -","- Fe2 Mn0.4 O4 Zn0.6 -","- Fe16 Mn3.2 O32 Zn4.8 -","8","0.0416667","","Koenig, U.; Chol, G.","Roentgenbeugungs- und Neutronenbeugungsuntersuchungen an Ferriten der Reihe Mnx Zn1-x Fe2 O4","Journal of Applied Crystallography","1968","1","","124","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2300584","8.4975","","8.4975","","8.4975","","90","","90","","90","","613.583","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zn.4 Mn.6 Fe2 O4","","- Fe2 Mn0.6 O4 Zn0.4 -","- Fe2 Mn0.6 O4 Zn0.4 -","- Fe16 Mn4.8 O32 Zn3.2 -","8","0.0416667","","Koenig, U.; Chol, G.","Roentgenbeugungs- und Neutronenbeugungsuntersuchungen an Ferriten der Reihe Mnx Zn1-x Fe2 O4","Journal of Applied Crystallography","1968","1","","124","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2300585","8.511","","8.511","","8.511","","90","","90","","90","","616.512","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Mn Fe2 O4","","- Fe2 Mn O4 -","- Fe2 Mn O4 -","- Fe16 Mn8 O32 -","8","0.0416667","","Koenig, U.; Chol, G.","Roentgenbeugungs- und Neutronenbeugungsuntersuchungen an Ferriten der Reihe Mnx Zn1-x Fe2 O4","Journal of Applied Crystallography","1968","1","","124","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310013","8.07","","8.07","","4.69","","90","","90","","120","","264.515","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Actinium bromide","","- Ac Br3 -","- Ac Br3 -","- Ac2 Br6 -","2","0.166667","","Zachariasen, W.H.","Crystal chemical studies of the 5f-Series of elements. I. New structure types","Acta Crystallographica (1,1948-23,1967)","1948","1","","265","268","10.1107/S0365110X48000703","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310015","7.63","","7.63","","4.56","","90","","90","","120","","229.903","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Actinium chloride","","- Ac Cl3 -","- Ac Cl3 -","- Ac2 Cl6 -","2","0.166667","","Zachariasen, W.H.","Crystal chemical studies of the 5f-Series of elements. I. New structure types","Acta Crystallographica (1,1948-23,1967)","1948","1","","265","268","10.1107/S0365110X48000703","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310148","8.653","0.01","8.653","0.01","5.594","0.01","90","","90","","90","","418.8","1","","","","","","","","","","","","2","I 41/a :1","I 4bw -1bw","88","","Cu(I) azide","","- Cu N3 -","- Cu N3 -","- Cu8 N24 -","8","0.5","A00031","Wilsdorf, H.","Die Kristallstruktur des einwertigen Kupferazids, CuN~3~","Acta Crystallographica","1948","1","3","115","118","10.1107/S0365110X48000314","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310852","7.45","","7.45","","6.04","","90","","90","","120","","290.322","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Pu Cl6","","- Cl6 Cs2 Pu -","- Cl6 Cs2 Pu -","- Cl6 Cs2 Pu -","1","0.0833333","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. II. The crystal structure of Cs2 Pu Cl6","Acta Crystallographica (1,1948-23,1967)","1948","1","","268","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310873","6.95","","5.95","","7.7","","90","","120.8","","90","","273.505","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H3 (O H)) Cl","","- Cl H4 N O -","- Cl H4 N O -","- Cl4 H16 N4 O4 -","4","1","","Jerslev, B.","The structure of hydroxylammonium chloride, N H3 O H Cl, and hydroxylammonium bromide, N H3 O H Br","Acta Crystallographica (1,1948-23,1967)","1948","1","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310874","7.29","","6.13","","8.04","","90","","120.8","","90","","308.615","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H3 (O H)) Br","","- Br H4 N O -","- Br H4 N O -","- Br4 H16 N4 O4 -","4","1","","Jerslev, B.","The structure of hydroxylammonium chloride, N H3 O H Cl, and hydroxylammonium bromide, N H3 O H Br","Acta Crystallographica (1,1948-23,1967)","1948","1","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"4002636","4.6612","","4.6612","","3.0106","","90","","90","","90","","65.411","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","(Zn.15 Nb.3 Ti.55) O2","","- Nb0.3 O2 Ti0.55 Zn0.15 -","- Nb0.3 O2 Ti0.55 Zn0.15 -","- Nb0.6 O4 Ti1.1 Zn0.3 -","2","0.125","","Abrahams, I.; Bruce, P.G.; David, W.I.F.; West, A.R.","Structure determination of substituted rutiles by time-of-flight neutron diffraction","Chemistry of Materials (1,1989-)","1989","1","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","168314","2020-10-21","18:00:00",""
"4002637","4.6879","","4.6879","","3.013","","90","","90","","90","","66.215","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","(Li.15 Nb.45 Ti.4) O2","","- Li0.15 Nb0.45 O2 Ti0.4 -","- Li0.15 Nb0.45 O2 Ti0.4 -","- Li0.3 Nb0.9 O4 Ti0.8 -","2","0.125","","Abrahams, I.; David, W.I.F.; Bruce, P.G.; West, A.R.","Structure determination of substituted rutiles by time-of-flight neutron diffraction","Chemistry of Materials (1,1989-)","1989","1","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","168318","2020-10-21","18:00:00",""
"4002638","3.9245","","3.9245","","15.26","","90","","90","","90","","235.03","","","","","","","","","","","","","3","P 43","P 4cw","78","","Ce Rh C2","","- C2 Ce Rh -","- C2 Ce Rh -","- C8 Ce4 Rh4 -","4","1","","Hoffmann, R.D.; Jeitschko, W.; Boonk, L.","Structural, chemical, and physical properties of rare-earth metal rhodium carbides Ln Rh C2 (Ln= La, Ce, Pr, Nd, Sm)","Chemistry of Materials (1,1989-)","1989","1","","580","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086212","9.238","","15.491","","11.678","","90","","104.98","","90","","1614.4","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","H2 S Ru3 (C O)9","","- C9 H2 O9 Ru3 S -","- C9 H2 O9 Ru3 S -","- C36 H8 O36 Ru12 S4 -","4","1","","Adams, R.D.; Katahira, D.A.","Oxidative cleavage of metal-metal bonds in heteronuclear clusters. Reaction of Sn Cl4 with H2 S Ru3 (C O)9 and the crystal and molecular structures of H2 S Ru3 (C O)9 and H2 S Cl Ru3 (C O)8 (Sn Cl3)","Organometallics","1982","1","","53","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086213","10.093","","13.346","","16.832","","110.2","","91.13","","91.61","","2125.95","","","","","","","","","","","","","7","P -1","-P 1","2","","H2 S Cl Ru3 (C O)8 (Sn Cl3)","","- C8 H2 Cl4 O8 Ru3 S Sn -","- C8 H2 Cl4 O8 Ru3 S Sn -","- C32 H8 Cl16 O32 Ru12 S4 Sn4 -","4","2","","Adams, R.D.; Katahira, D.A.","Oxidative cleavage of metal-metal bonds in heteronuclear clusters. Reaction of Sn Cl4 with H2 S Ru3 (C O)9 and the crystal and molecular Structures of H2 S Ru3 (C O)9 and H2 S Cl Ru3 (C O)8 (Sn Cl3)","Organometallics","1982","1","","53","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4331445","7","","7","","7.46","","90","","90","","120","","316.567","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- B I3 -","- B I3 -","- B2 I6 -","2","0.166667","","Ring, M.A.; Koski, W.S.; Donnay, J.D.H.","The Crystal Structure of Boron Triiodide","Inorganic Chemistry","1962","1","","109","111","10.1021/ic50001a021","","","","","","","","","","","","","","","","","","","","","has coordinates","301839","2025-08-20","22:57:34",""
"4344512","8.1","","14.79","","14.64","","90","","100.45","","90","","1724.77","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Os3 (C O)12","","- C12 O12 Os3 -","- C12 O12 Os3 -","- C48 O48 Os12 -","4","1","","Corey, Eugene R.; Dahl, Lawrence F.","The Molecular and Crystal Structure of Os~3~(CO)~12~","Inorganic Chemistry","1962","1","3","521","526","10.1021/ic50003a016","","","","","","","","","","","","","","","","","","","","","has coordinates","210057","2020-10-21","18:00:00",""
"4347995","15.653","0.0005","13.533","0.0005","13.615","0.0005","90","","103.918","0.002","90","","2799.42","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cu N5 O11 -","- C24 H29 Cu N5 O11 -","- C96 H116 Cu4 N20 O44 -","4","1","","Lin, Jian-Bin; Shimizu, George K. H.","Pyridinium linkers and mixed anions in cationic metal‒organic frameworks","Inorg. Chem. Front.","2014","1","4","302","","10.1039/C3QI00065F","","","0.71073","MoKα","","0.1287","0.0928","","","0.265","0.3027","","","","","","1.008","","","","has coordinates","232626","2020-10-21","18:00:00",""
"4347997","12.2739","0.0003","10.0375","0.0002","20.7695","0.0006","90","","96.599","0.001","90","","2541.83","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl N P2 Pd -","- C24 H36 Cl N P2 Pd -","- C96 H144 Cl4 N4 P8 Pd4 -","4","1","","Hung, Yu-Ting; Chen, Ming-Tsz; Huang, Mei-Hui; Kao, Ting-Yin; Liu, Yu-Sheng; Liang, Lan-Chang","Catalytic Sonogashira couplings mediated by an amido pincer complex of palladium","Inorganic Chemistry Frontiers","2014","1","5","405","","10.1039/c3qi00086a","","","0.71073","MoKα","","0.0723","0.0442","","","0.1039","0.1209","","","","","","1.004","","","","has coordinates","232628","2020-10-21","18:00:00",""
"4347999","37.7974","0.0011","10.4874","0.0002","20.9666","0.0004","90","","106.765","0.003","90","","7957.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H54 Ge25 N12.25 Ni2 O60 -","- C12.9936 H50.118 Ge24.9975 N11.681 Ni2.0562 O59.707 -","- C51.9744 H200.472 Ge99.99 N46.724 Ni8.2248 O238.828 -","4","0.5","","Huang, Shiliang; Su, Jie; Christensen, Kirsten; Inge, A. Ken; Liang, Jie; Zou, Xiaodong; Sun, Junliang","SU-79: a novel germanate with 3D 10- and 11-ring channels templated by a square-planar nickel complex","Inorg. Chem. Front.","2014","1","3","278","","10.1039/C3QI00088E","","","0.6889","synchrotron","","0.0633","0.0599","","","0.175","0.1784","","","","","","1.033","","","","has coordinates,has disorder","232630","2020-10-21","18:00:00",""
"4348001","26.896","0.003","26.896","0.003","26.896","0.003","90","","90","","90","","19456","4","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C84 H48 O32 Zr6 -","- C84 H48 O32 Zr6 -","- C336 H192 O128 Zr24 -","4","0.0208333","","Nickerl, Georg; Leistner, Matthias; Helten, Stella; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan","Integration of accessible secondary metal sites into MOFs for H2S removal","Inorg. Chem. Front.","2014","1","4","325","","10.1039/C3QI00093A","","","0.71073","MoKα","","0.1268","0.0768","","","0.1755","0.1887","","","","","","0.893","","","","has coordinates","232633","2020-10-21","18:00:00",""
"4348004","9.3416","0.0005","12.8676","0.0007","19.8225","0.0011","90","","103.333","0.003","90","","2318.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl2 Co N3 O -","- C25 H18 Cl2 Co N3 O -","- C100 H72 Cl8 Co4 N12 O4 -","4","1","","Chaudhuri, Satyabrata; Bera, Sachinath; Biswas, Manas Kumar; Roy, Amit Saha; Weyhermüller, Thomas; Ghosh, Prasanta","Oxidovanadium(iv), oxidomolybdenum(vi) and cobalt(iii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence","Inorg. Chem. Front.","2014","1","4","331","","10.1039/C3QI00103B","","","0.71073","MoKα","","0.0609","0.0432","","","0.1145","0.1284","","","","","","1.051","","","","has coordinates","232636","2020-10-21","18:00:00",""
"4348005","9.34","0.003","11.616","0.007","13.836","0.004","76.22","0.05","83.19","0.05","88.86","0.05","1447.6","1.1","100","2","100","2","","","","","","","methanole","5","P -1","-P 1","2","","","","- C33.5 H37 N3 O2.5 V -","- C33.5 H37 N3 O2.5 V -","- C67 H74 N6 O5 V2 -","2","1","","Chaudhuri, Satyabrata; Bera, Sachinath; Biswas, Manas Kumar; Roy, Amit Saha; Weyhermüller, Thomas; Ghosh, Prasanta","Oxidovanadium(iv), oxidomolybdenum(vi) and cobalt(iii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence","Inorg. Chem. Front.","2014","1","4","331","","10.1039/C3QI00103B","","","0.71073","MoKα","","0.1118","0.0682","","","0.1469","0.1707","","","","","","1.036","","","","has coordinates","232636","2020-10-21","18:00:00",""
"4348006","7.9292","0.0002","11.4808","0.0006","11.7269","0.0009","76.524","0.004","83.276","0.005","81.837","0.003","1023.71","0.1","100","2","100","2","","","","","","","dichloromethane, hexane","5","P -1","-P 1","2","","","","- C25 H19 Mo N3 O3 -","- C25 H19 Mo N3 O3 -","- C50 H38 Mo2 N6 O6 -","2","1","","Chaudhuri, Satyabrata; Bera, Sachinath; Biswas, Manas Kumar; Roy, Amit Saha; Weyhermüller, Thomas; Ghosh, Prasanta","Oxidovanadium(iv), oxidomolybdenum(vi) and cobalt(iii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence","Inorg. Chem. Front.","2014","1","4","331","","10.1039/C3QI00103B","","","0.71073","MoKα","","0.0293","0.0263","","","0.0675","0.0696","","","","","","1.059","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348007","11.6986","0.0012","12.1197","0.0012","14.0622","0.0014","109.91","0.003","105.249","0.003","103.361","0.003","1691.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N4 Ni3 S30 -","- C44 H46 N4 Ni3 S30 -","- C44 H46 N4 Ni3 S30 -","1","0.5","","Yang, Hao; Liu, Jian-Lan; Zhou, Lan-Cheng; Ren, Xiao-Ming","Experimental and theoretical investigation of the magnetic and photoconductive nature of a novel two-dimensional, mixed-valence bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate molecular solid","Inorg. Chem. Front.","2014","1","5","426","","10.1039/C3QI00106G","","","0.71073","MoKα","","0.0827","0.0423","","","0.076","0.0894","","","","","","1.052","","","","has coordinates","232637","2020-10-21","18:00:00",""
"4348190","19.497","0.004","10.517","0.002","18.232","0.004","90","","90","","90","","3738.5","1.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H24 Cl11 N2 P Pd -","- C30 H24 Cl11 N2 P Pd -","- C120 H96 Cl44 N8 P4 Pd4 -","4","1","","Frik, Malgorzata; Jiménez, Josefina; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Gascón, Elena; Benoit, Farrah; Sanaú, Mercedes; Casini, Angela; Contel, María","Luminescent iminophosphorane gold, palladium and platinum complexes as potential anticancer agents.","Inorganic chemistry frontiers","2014","1","3","231","241","10.1039/C4QI00003J","","","0.71073","MoKα","","0.0605","0.0483","","","0.1242","0.1343","","","","","","1.06","","","","has coordinates","232811","2020-10-21","18:00:00",""
"4348191","19.1704","0.0003","10.4373","0.0002","9.3657","0.0001","90","","93.285","0.001","90","","1870.88","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu2 N12 O0 -","- C20 H14 Cu2 N12 -","- C80 H56 Cu8 N48 -","4","1","","Wen, Tian; Zhang, De-Xiang; Ding, Qing-Rong; Zhang, Hua-Bin; Zhang, Jian","Two luminescent Cu(i) coordination polymers based on the 1-(4-tetrazolephenyl)imidazole ligand for sensing of nitrobenzene","Inorganic Chemistry Frontiers","2014","1","5","389","","10.1039/c4qi00016a","","","1.54178","CuKα","","0.0321","0.0286","","","0.0747","0.0772","","","","","","1.045","","","","has coordinates","232812","2020-10-21","18:00:00",""
"4348192","13.5477","0.0011","20.56","0.002","8.7151","0.0007","90","","90","","90","","2427.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Cu2 I N6 O0 -","- C10 H7 Cu2 I N6 -","- C80 H56 Cu16 I8 N48 -","8","1","","Wen, Tian; Zhang, De-Xiang; Ding, Qing-Rong; Zhang, Hua-Bin; Zhang, Jian","Two luminescent Cu(i) coordination polymers based on the 1-(4-tetrazolephenyl)imidazole ligand for sensing of nitrobenzene","Inorganic Chemistry Frontiers","2014","1","5","389","","10.1039/c4qi00016a","","","0.71073","MoKα","","0.0242","0.0214","","","0.0528","0.0544","","","","","","1.002","","","","has coordinates","232812","2020-10-21","18:00:00",""
"4348194","14.7824","0.0003","12.0395","0.0003","19.7994","0.0005","90","","104.923","0.002","90","","3404.91","0.14","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cl2 Hg N6 O4 -","- C36 H30 Cl2 Hg N6 O4 -","- C144 H120 Cl8 Hg4 N24 O16 -","4","0.5","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.0935","0.072","","","0.1346","0.1432","","","","","","1.104","","","","has coordinates","232814","2020-10-21","18:00:00",""
"4348196","14.612","0.0018","11.8925","0.0018","19.488","0.003","90","","104.612","0.011","90","","3277","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cl2 N6 O4 Zn -","- C36 H30 Cl2 N6 O4 Zn -","- C144 H120 Cl8 N24 O16 Zn4 -","4","0.5","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.0627","0.0488","","","0.1353","0.1446","","","","","","0.984","","","","has coordinates","232816","2020-10-21","18:00:00",""
"4348198","10.6146","0.0008","11.2239","0.0012","15.7625","0.0014","95.493","0.008","104.366","0.007","99.105","0.008","1778.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Co N16 O8 S2 -","- C78 H66 Co N16 O8 S2 -","- C78 H66 Co N16 O8 S2 -","1","0.5","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.1076","0.0699","","","0.1426","0.1624","","","","","","1.019","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348199","14.5214","0.0004","14.1478","0.0005","22.8454","0.0008","90","","128.618","0.002","90","","3667.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N8 O4 S2 Zn -","- C38 H30 N8 O4 S2 Zn -","- C152 H120 N32 O16 S8 Zn4 -","4","1","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.0732","0.0473","","","0.0774","0.0863","","","","","","1.114","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348201","10.3324","0.0003","16.9948","0.0004","17.5964","0.0004","91.408","0.001","95.665","0.001","106.957","0.001","2936.48","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H59 Cd N13 O8 S2 -","- C62 H59 Cd N13 O8 S2 -","- C124 H118 Cd2 N26 O16 S4 -","2","1","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.045","0.032","","","0.0714","0.0811","","","","","","1.044","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348203","14.6314","0.0006","11.9993","0.0004","19.7572","0.0008","90","","105.63","0.004","90","","3340.4","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cd Cl2 N6 O4 -","- C36 H30 Cd Cl2 N6 O4 -","- C144 H120 Cd4 Cl8 N24 O16 -","4","0.5","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.0427","0.0351","","","0.0793","0.0835","","","","","","1.043","","","","has coordinates","232824","2020-10-21","18:00:00",""
"4348205","10.6242","0.0007","11.2787","0.0006","15.7505","0.0009","95.575","0.004","103.794","0.004","99.258","0.004","1790.86","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Mn N16 O8 S2 -","- C78 H66 Mn N16 O8 S2 -","- C78 H66 Mn N16 O8 S2 -","1","0.5","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.079","0.0433","","","0.0676","0.0781","","","","","","1.005","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348207","19.652","0.005","11.54","0.005","27.611","0.005","90","0.005","107.031","0.005","90","0.005","5987","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H58 Co2 N12 O17 -","- C54 H58 Co2 N12 O17 -","- C216 H232 Co8 N48 O68 -","4","0.5","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Pachfule, Pradip; Colacio, Enrique; Ghoshal, Debajyoti","Syntheses, X-ray structures, catalytic activity and magnetic properties of two new coordination polymers of Co(ii) and Ni(ii) based on benzenedicarboxylate and linear N,N′-donor Schiff base linkers","Inorg. Chem. Front.","2014","1","5","414","","10.1039/C4QI00032C","","","0.71073","MoKα","","0.0439","0.0386","","","0.1322","0.1367","","","","","","1.052","","","","has coordinates","232828","2020-10-21","18:00:00",""
"4348208","19.6754","0.0003","11.3812","0.0003","27.5363","0.0005","90","","107.342","0.001","90","","5885.9","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H58 N12 Ni2 O17 -","- C54 H58 N12 Ni2 O17 -","- C216 H232 N48 Ni8 O68 -","4","0.5","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Pachfule, Pradip; Colacio, Enrique; Ghoshal, Debajyoti","Syntheses, X-ray structures, catalytic activity and magnetic properties of two new coordination polymers of Co(ii) and Ni(ii) based on benzenedicarboxylate and linear N,N′-donor Schiff base linkers","Inorg. Chem. Front.","2014","1","5","414","","10.1039/C4QI00032C","","","0.71073","MoKα","","0.0482","0.0418","","","0.1246","0.128","","","","","","1.122","","","","has coordinates","232828","2020-10-21","18:00:00",""
"4348210","19.1999","0.001","19.1999","0.001","25.815","0.003","90","","90","","90","","9516.3","1.3","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C27 H7 Mn2 N6 O11 -","- C27 H7 Mn2 N6 O11 -","- C216 H56 Mn16 N48 O88 -","8","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.1784","0.0896","","","0.2219","0.2723","","","","","","1.047","","","","has coordinates","232830","2020-10-21","18:00:00",""
"4348211","10.213","0.002","17.607","0.004","28.123","0.006","90","","98.6","0.03","90","","5000.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H7 Co2 N6 O11 -","- C33 H7 Co2 N6 O11 -","- C132 H28 Co8 N24 O44 -","4","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.1462","0.081","","","0.2022","0.2298","","","","","","1.041","","","","has coordinates","232830","2020-10-21","18:00:00",""
"4348212","38.9881","0.001","38.9881","0.001","22.2962","0.0011","90","","90","","120","","29351.2","1.8","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C33 H34 Mn2 N4 O11 -","- C33 H15 Mn2 N4 O11 -","- C594 H270 Mn36 N72 O198 -","18","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.0967","0.0445","","","0.068","0.073","","","","","","1.01","","","","has coordinates,has disorder","232830","2020-10-21","18:00:00",""
"4348213","18.057","0.0003","18.057","0.0003","13.4495","0.0005","90","","90","","90","","4385.28","0.19","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8.5 H In0.5 N0 O4.5 -","- C8.936 H In0.5 O4.064 -","- C71.488 H8 In4 O32.512 -","8","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.0344","0.0276","","","0.052","0.053","","","","","","1.026","","","","has coordinates,has disorder","232830","2020-10-21","18:00:00",""
"4348215","13.291","0.002","13.838","0.002","16.545","0.004","108.734","0.003","105.788","0.003","101.737","0.002","2628.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H108 N6 Ni8 O32 -","- C98 H108 N6 Ni8 O32 -","- C98 H108 N6 Ni8 O32 -","1","0.5","","Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S.","A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation","Inorg. Chem. Front.","2014","1","6","487","","10.1039/C4QI00048J","","","0.71073","MoKα","","0.0933","0.0542","","","0.1391","0.1603","","","","","","1.015","","","","has coordinates","232832","2020-10-21","18:00:00",""
"4348216","13.259","0.002","28.761","0.005","15.273","0.003","90","","103.829","0.002","90","","5655.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H112 N6 Ni8 O30 -","- C110 H100 N6 Ni8 O30 -","- C220 H200 N12 Ni16 O60 -","2","0.5","","Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S.","A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation","Inorg. Chem. Front.","2014","1","6","487","","10.1039/C4QI00048J","","","0.71073","MoKα","","0.1197","0.0631","","","0.1463","0.1743","","","","","","0.996","","","","has coordinates,has disorder","232832","2020-10-21","18:00:00",""
"4348217","13.372","0.01","14.701","0.011","15.11","0.011","94.446","0.006","108.768","0.013","104.964","0.01","2675","3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H98 Cl2 N6 Ni8 O28 -","- C106 H92 Cl2 N6 Ni8 O28 -","- C106 H92 Cl2 N6 Ni8 O28 -","1","0.5","","Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S.","A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation","Inorg. Chem. Front.","2014","1","6","487","","10.1039/C4QI00048J","","","0.71073","MoKα","","0.0623","0.0601","","","0.1644","0.1669","","","","","","1.075","","","","has coordinates","232832","2020-10-21","18:00:00",""
"4348218","12.8976","0.0006","13.0924","0.0006","16.4651","0.0006","98.686","0.003","99.661","0.003","90.904","0.003","2707","0.2","150","","150","","","","","","","","G.Papaefstathiou","6","P -1","-P 1","2","","","","- C117 H112 Cl2 N8 Ni5 O20 -","- C117 H112 Cl2 N8 Ni5 O20 -","- C117 H112 Cl2 N8 Ni5 O20 -","1","0.5","","Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S.","A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation","Inorg. Chem. Front.","2014","1","6","487","","10.1039/C4QI00048J","","","1.5418","CuKα","","0.0829","0.0686","","0.2087","0.1827","0.2087","","","","","","0.964","","","","has coordinates","232832","2020-10-21","18:00:00",""
"4348222","16.5108","0.0004","24.3839","0.0009","18.6385","0.0005","90","","105.084","0.003","90","","7245.3","0.4","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H178.2 Dy2 N2 O16 -","- C168 H178.2 Dy2 N2 O16 -","- C336 H356.4 Dy4 N4 O32 -","2","0.5","","Sun, Wen-Bin; Yan, Bing; Zhang, Yi-Quan; Wang, Bing-Wu; Wang, Zhe-Ming; Jia, Jun-Hua; Gao, Song","The slow magnetic relaxation regulated by ligand conformation of a lanthanide single-ion magnet [Hex4N][Dy(DBM)4]","Inorg. Chem. Front.","2014","1","6","503","","10.1039/C4QI00057A","","","0.7107","MoKα","","0.0878","0.0688","","","0.1365","0.1465","","","","","","1.149","","","","has coordinates,has disorder","232834","2020-10-21","18:00:00",""
"4348223","16.5033","0.0004","24.3631","0.0008","18.6445","0.0004","90","","105.028","0.002","90","","7240","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H92 N O8 Y -","- C84 H92 N O8 Y -","- C336 H368 N4 O32 Y4 -","4","1","","Sun, Wen-Bin; Yan, Bing; Zhang, Yi-Quan; Wang, Bing-Wu; Wang, Zhe-Ming; Jia, Jun-Hua; Gao, Song","The slow magnetic relaxation regulated by ligand conformation of a lanthanide single-ion magnet [Hex4N][Dy(DBM)4]","Inorg. Chem. Front.","2014","1","6","503","","10.1039/C4QI00057A","","","1.54184","CuKα","","0.1409","0.1042","","","0.2486","0.2743","","","","","","1.043","","","","has coordinates","232834","2020-10-21","18:00:00",""
"4348224","10.743","0.002","10.981","0.002","16.751","0.003","90","","90","","90","","1976.1","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Gd4 H12 O24 S4 -","- Gd4 H4 O24 S4 -","- Gd16 H16 O96 S16 -","4","1","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","Magnetocaloric effect and slow magnetic relaxation in two dense (3,12)-connected lanthanide complexes","Inorg. Chem. Front.","2014","1","7","549","","10.1039/C4QI00073K","","","0.71073","MoKα","","0.0235","0.0215","","","0.0561","0.0565","","","","","","1.112","","","","has coordinates","232835","2020-10-21","18:00:00",""
"4348225","10.278","0.002","10.761","0.002","16.613","0.003","90","","90","","90","","1837.4","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Dy4 H10 O23 S4 -","- Dy4 H4 O23 S4 -","- Dy16 H16 O92 S16 -","4","1","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","Magnetocaloric effect and slow magnetic relaxation in two dense (3,12)-connected lanthanide complexes","Inorg. Chem. Front.","2014","1","7","549","","10.1039/C4QI00073K","","","0.71073","MoKα","","0.0891","0.0873","","","0.2018","0.2028","","","","","","1.06","","","","has coordinates","232835","2020-10-21","18:00:00",""
"4348231","24.56","0.03","19.67","0.02","29.88","0.04","90","","114.159","0.018","90","","13171","3","24","2","24","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C110 H148 B2 Co2 F12 Fe2 N26 O2 P2 -","- C110 H148 B2 Co2 F12 Fe2 N26 O2 P2 -","- C440 H592 B8 Co8 F48 Fe8 N104 O8 P8 -","4","0.5","","Sekine, Yoshihiro; Nihei, Masayuki; Kumai, Reiji; Nakao, Hironori; Murakami, Youichi; Oshio, Hiroki","Investigation of the light-induced electron-transfer-coupled spin transition in a cyanide-bridged [Co2Fe2] complex by X-ray diffraction and absorption measurements","Inorg. Chem. Front.","2014","1","7","540","","10.1039/C4QI00074A","","","0.71073","MoKα","","0.2931","0.1295","","","0.3066","0.3882","","","","","","1.04","","","","has coordinates,has disorder","232837","2020-10-21","18:00:00",""
"4348237","21.9728","0.0011","8.404","0.0004","11.703","0.0006","90","","90","","90","","2161.07","0.19","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 Cd2 N4 O15 -","- C28 H22 Cd2 N4 O15 -","- C56 H44 Cd4 N8 O30 -","2","0.5","","Parshamoni, Srinivasulu; Jena, Himanshu Sekhar; Sanda, Suresh; Konar, Sanjit","Synthesis, characterisation, water adsorption and proton conductivity of three Cd(ii) based luminescent metal‒organic frameworks","Inorg. Chem. Front.","2014","1","8","611","","10.1039/C4QI00077C","","","0.71073","MoKα","","0.0472","0.0453","","","0.1388","0.1404","","","","","","1.118","","","","has coordinates","232839","2020-10-21","18:00:00",""
"4348238","21.9953","0.0012","8.4064","0.0005","11.7118","0.0007","90","","90","","90","","2165.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 Cd2 N4 O15 -","- C28 H22 Cd2 N4 O15 -","- C56 H44 Cd4 N8 O30 -","2","0.5","","Parshamoni, Srinivasulu; Jena, Himanshu Sekhar; Sanda, Suresh; Konar, Sanjit","Synthesis, characterisation, water adsorption and proton conductivity of three Cd(ii) based luminescent metal‒organic frameworks","Inorg. Chem. Front.","2014","1","8","611","","10.1039/C4QI00077C","","","0.71073","MoKα","","0.0446","0.0422","","","0.1296","0.1318","","","","","","1.038","","","","has coordinates","232839","2020-10-21","18:00:00",""
"4348240","8.2014","0.0006","10.2761","0.0006","11.3982","0.001","111.426","0.007","108.079","0.007","93.09","0.006","834.76","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 Gd Mn0.5 O13 -","- C8 H22 Gd Mn0.5 O13 -","- C16 H44 Gd2 Mn O26 -","2","1","","Pan, Yin-Yin; Yang, Yan; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","One-dimensional GdIII‒MII (M = Mn, Co) acetate chains exhibiting a large cryogenic magnetocaloric effect at ΔH = 3 T","Inorg. Chem. Front.","2014","1","8","649","","10.1039/C4QI00078A","","","0.71073","MoKα","","0.031","0.0283","","","0.0693","0.0709","","","","","","1.038","","","","has coordinates","232841","2020-10-21","18:00:00",""
"4348241","8.1656","0.0005","10.2359","0.0007","11.3405","0.0006","111.699","0.006","108.094","0.005","92.947","0.005","822.18","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 Co0.5 Gd N0 O13 -","- C8 H22 Co0.5 Gd O13 -","- C16 H44 Co Gd2 O26 -","2","1","","Pan, Yin-Yin; Yang, Yan; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","One-dimensional GdIII‒MII (M = Mn, Co) acetate chains exhibiting a large cryogenic magnetocaloric effect at ΔH = 3 T","Inorg. Chem. Front.","2014","1","8","649","","10.1039/C4QI00078A","","","0.71073","MoKα","","0.0213","0.0203","","","0.0516","0.0521","","","","","","1.03","","","","has coordinates","232841","2020-10-21","18:00:00",""
"4348243","20.236","0.002","26.324","0.004","16.58","0.002","90","","110.496","0.003","90","","8272.9","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 Mn4 N8 Na6 O58.5 -","- C53 H40 Mn4 N8 Na6 O58.5 -","- C212 H160 Mn16 N32 Na24 O234 -","4","0.5","","Gan, C. R. Raymond; Liu, Zhaolin; Bai, Shi-Qiang; Tay, Siok Wei; Ge, Xiaoming; Wu, Ji-En; Hor, T. S. Andy","A biomimetic photoelectrochemical device from a molecular heterometallic sodium‒manganese water splitting catalyst","Inorg. Chem. Front.","2014","1","9","705","","10.1039/C4QI00081A","","","0.71073","MoKα","","0.1064","0.0865","","","0.246","0.2655","","","","","","1.041","","","","has coordinates,has disorder","232843","2020-10-21","18:00:00",""
"4348246","18.5537","0.0005","20.4481","0.0007","14.4208","0.0005","90","","91.001","0.003","90","","5470.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Co N16 O4 -","- C19 H24 Co N16 O4 -","- C152 H192 Co8 N128 O32 -","8","2","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.102","0.0589","","","0.139","0.1721","","","","","","1.026","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4348247","11.6957","0.0006","18.948","0.0006","12.5618","0.0003","90","","92.388","0.004","90","","2781.4","0.18","293","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Co N15 O4 -","- C20 H24 Co N15 O4 -","- C80 H96 Co4 N60 O16 -","4","1","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.0676","0.0502","","","0.1328","0.1467","","","","","","1.034","","","","has coordinates","232846","2020-10-21","18:00:00",""
"4348248","8.5104","0.0007","12.417","0.002","16.104","0.002","109.442","0.014","100.647","0.009","95.584","0.01","1553.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H31 Br2 Co N14 O4 -","- C21 H31 Br2 Co N14 O4 -","- C42 H62 Br4 Co2 N28 O8 -","2","1","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.1017","0.0692","","","0.1984","0.2293","","","","","","1.003","","","","has coordinates","232846","2020-10-21","18:00:00",""
"4348249","13.0541","0.0004","13.3594","0.0007","14.832","0.0004","90","","90","","90","","2586.63","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Cl Co N12 O5 -","- C19 H26 Cl Co N12 O5 -","- C76 H104 Cl4 Co4 N48 O20 -","4","1","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.0451","0.0418","","","0.1103","0.1131","","","","","","1.104","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4348250","11.6499","0.0007","16.1363","0.0013","13.5916","0.0011","90","","95.163","0.006","90","","2544.7","0.3","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Cl2 Co2 N28 O9 -","- C32 H48 Cl2 Co2 N28 O9 -","- C64 H96 Cl4 Co4 N56 O18 -","2","0.5","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.0913","0.0685","","","","0.2056","","","","","","1.0861","","","","has coordinates","232846","2020-10-21","18:00:00",""
"4348251","12.545","0.003","12.545","0.003","32.893","0.016","90","","90","","120","","4483","3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C54 H72 Br6 Cl3 Co3 N36 O11 -","- C54 H72 Br6 Cl3.00002 Co3 N36 O11 -","- C108 H144 Br12 Cl6.00004 Co6 N72 O22 -","2","0.166667","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.0741","0.0741","","","","0.2283","","","","","","1.084","","","","has coordinates","232846","2020-10-21","18:00:00",""
"4348254","12.067","0.002","7.4493","0.0015","15.764","0.003","90","","90.94","0.03","90","","1416.8","0.5","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H17 Co N18 O -","- C2 H17 Co N18 O -","- C8 H68 Co4 N72 O4 -","4","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0266","0.0226","","","0.0563","0.0573","","","","","","0.974","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348255","6.2607","0.0012","6.854","0.0012","15.006","0.002","84.6","0.014","79.945","0.015","85.933","0.015","630.24","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H13 Co N12 -","- C7 H13 Co N12 -","- C14 H26 Co2 N24 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","1.5418","CuKα","","0.0519","0.0386","","","0.0834","0.0879","","","","","","0.955","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348256","7.1228","0.0014","7.3402","0.0015","10.138","0.002","96.49","0.03","105.79","0.03","95.1","0.03","502.8","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H24 Co2 N22 O8 -","- C2 H24 Co2 N22 O8 -","- C2 H24 Co2 N22 O8 -","1","0.5","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0348","0.0325","","","0.086","0.0875","","","","","","1.094","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348257","12.51","0.003","7.4092","0.0015","17.702","0.004","90","","100.07","0.03","90","","1615.5","0.6","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H19 Co N16 O4 -","- C2 H19 Co N16 O4 -","- C8 H76 Co4 N64 O16 -","4","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0817","0.0577","","","0.1246","0.1341","","","","","","1.096","","","","has coordinates,has disorder","232849","2020-10-21","18:00:00",""
"4348258","7.8926","0.0011","7.8926","0.0011","19.125","0.004","90","","90","","90","","1191.4","0.3","133","2","133","2","","","","","","","","5","I 41 m d","I 4bw -2","109","","","","- C H14 Co N11 O7 -","- C H14 Co N11 O7 -","- C4 H56 Co4 N44 O28 -","4","0.25","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0234","0.0232","","","0.0565","0.0566","","","","","","1.206","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348259","7.346","0.0015","9.907","0.002","13.308","0.003","71.6","0.03","83.33","0.03","78.54","0.03","899.2","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H21 Co N16 O4 -","- C7 H21 Co N16 O4 -","- C14 H42 Co2 N32 O8 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0794","0.0611","","","0.1225","0.1282","","","","","","1.191","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348260","7.0622","0.0014","12.888","0.003","13.299","0.003","98.33","0.03","104.8","0.03","90.52","0.03","1156.6","0.5","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 Co N14 O14 -","- C12 H19 Co N14 O14 -","- C24 H38 Co2 N28 O28 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0797","0.0512","","","0.0924","0.0998","","","","","","1.04","","","","has coordinates,has disorder","232849","2020-10-21","18:00:00",""
"4348261","6.8481","0.0003","13.4859","0.0005","18.5624","0.0006","75.421","0.003","89.746","0.003","85.199","0.003","1653.02","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H16 Co N9 O12 -","- C6 H16 Co N9 O12 -","- C24 H64 Co4 N36 O48 -","4","2","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","1.54184","CuKα","","0.0599","0.0566","","","0.1527","0.1553","","","","","","1.051","","","","has coordinates","232849","2020-10-21","18:00:00",""
"4348262","12.6374","0.0003","13.7368","0.0003","15.6996","0.0004","113.942","0.002","90.678","0.002","89.527","0.002","2490.71","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Co2 N26 O35 -","- C24 H38 Co2 N26 O35 -","- C48 H76 Co4 N52 O70 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","1.54184","CuKα","","0.0405","0.0378","","","0.0942","0.0964","","","","","","1.048","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348265","13.697","0.002","23.188","0.003","14.177","0.002","90","","95.173","0.002","90","","4484.4","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","nabp-Me22+2PF6","","- C42 H37 F12 N11 O4 P2 -","- C42 H37 F12 N11 O4 P2 -","- C168 H148 F48 N44 O16 P8 -","4","1","","Li, Yongjun; Zhao, Yingjie; Jiang, Runsheng; Liu, Huibiao; Li, Yuliang","Synthesis of a naphthalenediimide-based cyclophane for controlling anion–arene interactions","Inorg. Chem. Front.","2014","1","9","661","","10.1039/C4QI00095A","","","0.71073","MoKα","","0.0804","0.0766","","","0.191","0.1939","","","","","","1.19","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348268","39.586","0.003","9.0348","0.0005","18.2097","0.0011","90","","116.851","0.004","90","","5810.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 Dy N9 O7 -","- C27 H24 Dy N9 O7 -","- C216 H192 Dy8 N72 O56 -","8","1","","Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","In situ synthesis and structural characterization of a series of acylhydrazidate-extended Ln3+and Zn2+coordination polymers","Inorg. Chem. Front.","2014","1","9","673","","10.1039/C4QI00100A","","","0.71073","MoKα","","0.0462","0.0386","","","0.0978","0.1068","","","","","","1.186","","","","has coordinates","232855","2020-10-21","18:00:00",""
"4348269","7.1376","0.0004","7.813","0.0004","10.3661","0.0007","90.681","0.004","103.088","0.004","101.71","0.003","550.33","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Dy N3 O7 -","- C9 H6 Dy N3 O7 -","- C18 H12 Dy2 N6 O14 -","2","1","","Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","In situ synthesis and structural characterization of a series of acylhydrazidate-extended Ln3+and Zn2+coordination polymers","Inorg. Chem. Front.","2014","1","9","673","","10.1039/C4QI00100A","","","0.71073","MoKα","","0.0215","0.0211","","","0.0582","0.0584","","","","","","1.178","","","","has coordinates","232855","2020-10-21","18:00:00",""
"4348270","12.3935","0.0006","13.3918","0.0007","10.3258","0.0006","90","","117.39","0.003","90","","1521.66","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 N12 O2 Zn2 -","- C11 H9 N12 O2 Zn2 -","- C44 H36 N48 O8 Zn8 -","4","0.5","","Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","In situ synthesis and structural characterization of a series of acylhydrazidate-extended Ln3+and Zn2+coordination polymers","Inorg. Chem. Front.","2014","1","9","673","","10.1039/C4QI00100A","","","0.71073","MoKα","","0.0259","0.0214","","","0.0547","0.0565","","","","","","1.047","","","","has coordinates","232855","2020-10-21","18:00:00",""
"4348271","14.175","0.003","8.9672","0.0018","20.104","0.004","90","","93.01","0.03","90","","2551.9","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N12 O6 Zn3 -","- C20 H14 N12 O6 Zn3 -","- C80 H56 N48 O24 Zn12 -","4","0.5","","Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","In situ synthesis and structural characterization of a series of acylhydrazidate-extended Ln3+and Zn2+coordination polymers","Inorg. Chem. Front.","2014","1","9","673","","10.1039/C4QI00100A","","","0.71073","MoKα","","0.0634","0.0499","","","0.1266","0.1372","","","","","","1.044","","","","has coordinates","232855","2020-10-21","18:00:00",""
"4348275","11.579","0.005","13.984","0.006","15.517","0.007","76.066","0.017","68.29","0.016","70.713","0.018","2183","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H94 Co2 Eu4 N8 O30 -","- C64 H94 Co2 Eu4 N8 O30 -","- C64 H94 Co2 Eu4 N8 O30 -","1","0.5","","Tian, Chong-Bin; Yuan, Da-Qiang; Han, Yun-Hu; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Synthesis, structures, and magnetic properties of a series of new heterometallic hexanuclear Co2Ln4(Ln = Eu, Gd, Tb and Dy) clusters","Inorg. Chem. Front.","2014","1","9","695","","10.1039/C4QI00116H","","","0.71073","MoKα","","0.0468","0.0408","","","0.1062","0.113","","","","","","1.096","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348276","11.628","0.004","13.997","0.004","15.441","0.005","74.478","0.014","68.117","0.012","69.735","0.012","2159.8","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H94 Co2 Gd4 N8 O30 -","- C64 H94 Co2 Gd4 N8 O30 -","- C64 H94 Co2 Gd4 N8 O30 -","1","0.5","","Tian, Chong-Bin; Yuan, Da-Qiang; Han, Yun-Hu; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Synthesis, structures, and magnetic properties of a series of new heterometallic hexanuclear Co2Ln4(Ln = Eu, Gd, Tb and Dy) clusters","Inorg. Chem. Front.","2014","1","9","695","","10.1039/C4QI00116H","","","0.71073","MoKα","","0.0589","0.049","","","0.1304","0.1415","","","","","","1.077","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348277","11.568","0.005","13.976","0.006","15.46","0.007","75.651","0.015","68.137","0.014","70.478","0.015","2164.5","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H94 Co2 N8 O30 Tb4 -","- C64 H94 Co2 N8 O30 Tb4 -","- C64 H94 Co2 N8 O30 Tb4 -","1","0.5","","Tian, Chong-Bin; Yuan, Da-Qiang; Han, Yun-Hu; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Synthesis, structures, and magnetic properties of a series of new heterometallic hexanuclear Co2Ln4(Ln = Eu, Gd, Tb and Dy) clusters","Inorg. Chem. Front.","2014","1","9","695","","10.1039/C4QI00116H","","","0.71073","MoKα","","0.0579","0.0475","","","0.1135","0.1212","","","","","","1.099","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348278","11.576","0.002","14.014","0.003","15.38","0.003","74.549","0.009","67.993","0.009","69.888","0.009","2144.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H94 Co2 Dy4 N8 O30 -","- C64 H94 Co2 Dy4 N8 O30 -","- C64 H94 Co2 Dy4 N8 O30 -","1","0.5","","Tian, Chong-Bin; Yuan, Da-Qiang; Han, Yun-Hu; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Synthesis, structures, and magnetic properties of a series of new heterometallic hexanuclear Co2Ln4(Ln = Eu, Gd, Tb and Dy) clusters","Inorg. Chem. Front.","2014","1","9","695","","10.1039/C4QI00116H","","","0.71073","MoKα","","0.0616","0.0476","","","0.1209","0.1301","","","","","","1.012","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348281","15.181","0.005","15.181","0.005","23.369","0.005","90","0.005","90","0.005","90","0.005","5386","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Cl Eu N6 O17 -","- C40 H32 Cl Eu N6 O17 -","- C160 H128 Cl4 Eu4 N24 O68 -","4","0.25","","Meng, Xing; Song, Shu-Yan; Song, Xue-Zhi; Zhu, Min; Zhao, Shu-Na; Wu, Lan-Lan; Zhang, Hong-Jie","A Eu/Tb-codoped coordination polymer luminescent thermometer","Inorg. Chem. Front.","2014","1","10","757","","10.1039/C4QI00122B","","","0.71069","MoKα","","0.0939","0.0683","","","0.2104","0.2326","","","","","","1.163","","","","has coordinates","232862","2020-10-21","18:00:00",""
"4348282","15.164","0.005","15.164","0.005","23.519","0.005","90","0.005","90","0.005","90","0.005","5408","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Cl Gd N6 O17 -","- C40 H32 Cl Gd N6 O17 -","- C160 H128 Cl4 Gd4 N24 O68 -","4","0.25","","Meng, Xing; Song, Shu-Yan; Song, Xue-Zhi; Zhu, Min; Zhao, Shu-Na; Wu, Lan-Lan; Zhang, Hong-Jie","A Eu/Tb-codoped coordination polymer luminescent thermometer","Inorg. Chem. Front.","2014","1","10","757","","10.1039/C4QI00122B","","","0.71069","MoKα","","0.0964","0.0644","","","0.2054","0.2375","","","","","","1.036","","","","has coordinates","232862","2020-10-21","18:00:00",""
"4348283","15.16","0.005","15.16","0.005","23.388","0.005","90","0.005","90","0.005","90","0.005","5375","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Cl N6 O17 Tb -","- C40 H32 Cl N6 O17 Tb -","- C160 H128 Cl4 N24 O68 Tb4 -","4","0.25","","Meng, Xing; Song, Shu-Yan; Song, Xue-Zhi; Zhu, Min; Zhao, Shu-Na; Wu, Lan-Lan; Zhang, Hong-Jie","A Eu/Tb-codoped coordination polymer luminescent thermometer","Inorg. Chem. Front.","2014","1","10","757","","10.1039/C4QI00122B","","","0.71069","MoKα","","0.1323","0.0731","","","0.2161","0.2638","","","","","","1.039","","","","has coordinates","232862","2020-10-21","18:00:00",""
"4350721","7.858","0.005","10.508","0.005","11.554","0.005","112.221","0.005","95.625","0.005","105.097","0.005","831.8","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 Cd N O4 -","- C21 H13 Cd N O4 -","- C42 H26 Cd2 N2 O8 -","2","1","","Rambabu, Darsi; Pradeep, Chullikkattil P.; Dhir, Abhimanew","Nano dispersion of 3D Cd(ii) coordination polymer: synthetic blood plasma anticoagulant","Inorganic Chemistry Frontiers","2014","1","2","163","","10.1039/c3qi00013c","","","0.71073","MoKα","","0.0539","0.0506","","","0.1342","0.1371","","","","","","1.071","","","","has coordinates","244417","2020-10-21","18:00:00",""
"4350722","8.9319","0.0003","7.819","0.0002","11.6928","0.0005","90","","90","","90","","816.61","0.05","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0465","0.0248","","","0.0435","0.0461","","","","","","0.912","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350723","8.9503","0.0003","7.8214","0.0002","11.7189","0.0005","90","","90","","90","","820.37","0.05","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.053","0.0243","","","0.0408","0.0438","","","","","","0.885","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350724","8.9448","0.0003","7.8403","0.0003","11.7669","0.0005","90","","90","","90","","825.21","0.05","290","","290","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0659","0.0259","","","0.0426","0.0474","","","","","","0.885","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350725","8.8505","0.0003","11.8785","0.0004","7.924","0.0003","90","","90","","90","","833.06","0.05","400","","400","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","0.5","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0374","0.0297","","","0.0779","0.083","","","","","","1.226","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350726","8.664","0.0003","7.7157","0.0002","11.4824","0.0004","90","","90","","90","","767.58","0.04","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0452","0.023","","","0.0426","0.0457","","","","","","0.931","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350727","8.6806","0.0003","7.7235","0.0003","11.5056","0.0003","90","","90","","90","","771.39","0.04","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0481","0.0227","","","0.0402","0.0429","","","","","","0.942","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350728","8.6748","0.0003","7.7488","0.0003","11.5478","0.0004","90","","90","","90","","776.23","0.05","290","","290","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0553","0.0233","","","0.0395","0.0436","","","","","","0.893","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350729","8.5958","0.0003","11.6442","0.0005","7.8468","0.0003","90","","90","","90","","785.4","0.05","375","","375","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","0.5","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0422","0.0294","","","0.0727","0.0795","","","","","","1.154","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350730","7.9435","0.0002","13.8339","0.0004","7.3016","0.0002","90","","90","","90","","802.37","0.04","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0361","0.0244","","","0.0458","0.0474","","","","","","0.988","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350731","7.9415","0.0002","13.846","0.0005","7.3103","0.0002","90","","90","","90","","803.83","0.04","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0405","0.0263","","","0.049","0.0509","","","","","","0.965","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350732","7.9341","0.0003","13.8697","0.0007","7.3361","0.0003","90","","90","","90","","807.29","0.06","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0497","0.0279","","","0.0497","0.0525","","","","","","0.955","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350733","7.9157","0.0003","7.9157","0.0003","7.4836","0.0003","90","","90","","120","","406.09","0.03","405","","405","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Co N2 O6 -","- C3 H7.95 Co N1.98 O6 -","- C6 H15.9 Co2 N3.96 O12 -","2","0.333333","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0167","0.0157","","","0.0422","0.0432","","","","","","1.118","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350734","7.8999","0.0002","13.7505","0.0004","7.3829","0.0002","90","","90","","90","","801.99","0.04","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Mg N2 O6 -","- C3 H8 Mg N2 O6 -","- C12 H32 Mg4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0285","0.0249","","","0.0644","0.0652","","","","","","1.141","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350735","7.8928","0.0002","13.7693","0.0004","7.4007","0.0002","90","","90","","90","","804.3","0.04","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Mg N2 O6 -","- C3 H8 Mg N2 O6 -","- C12 H32 Mg4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.033","0.0283","","","0.0747","0.0761","","","","","","1.099","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350736","7.8888","0.0002","13.7799","0.0004","7.4295","0.0002","90","","90","","90","","807.64","0.04","292","","292","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Mg N2 O6 -","- C3 H8 Mg N2 O6 -","- C12 H32 Mg4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0387","0.0307","","","0.0808","0.0835","","","","","","1.052","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350737","7.8798","0.0003","7.8798","0.0003","7.5682","0.0004","90","","90","","120","","406.96","0.03","400","","400","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Mg N2 O6 -","- C3 H7.95 Mg N1.98 O6 -","- C6 H15.9 Mg2 N3.96 O12 -","2","0.333333","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0272","0.026","","","0.0698","0.0705","","","","","","1.117","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350738","19.801","0.007","20.162","0.007","27.225","0.009","97.544","0.005","100.609","0.005","111.627","0.005","9692","6","110","2","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C129 H79 N43 O28 Zn9 -","- C129 H79 N43 O28 Zn9 -","- C258 H158 N86 O56 Zn18 -","2","1","","Zhang, Muwei; Lu, Weigang; Li, Jian-Rong; Bosch, Mathieu; Chen, Ying-Pin; Liu, Tian-Fu; Liu, Yangyang; Zhou, Hong-Cai","Design and synthesis of nucleobase-incorporated metal‒organic materials","Inorganic Chemistry Frontiers","2014","1","2","159","","10.1039/c3qi00042g","","","0.71073","MoKα","","0.0836","0.0492","","","0.1221","0.1321","","","","","","1.003","","","","has coordinates","244419","2020-10-21","18:00:00",""
"4350739","27.99","0.003","28.102","0.003","28.303","0.005","109.319","0.002","106.426","0.002","107.182","0.001","18196","4","110","2","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C184 H156 Cu12 N28 O84 -","- C184 H156 Cu12 N28 O84 -","- C368 H312 Cu24 N56 O168 -","2","1","","Zhang, Muwei; Lu, Weigang; Li, Jian-Rong; Bosch, Mathieu; Chen, Ying-Pin; Liu, Tian-Fu; Liu, Yangyang; Zhou, Hong-Cai","Design and synthesis of nucleobase-incorporated metal‒organic materials","Inorganic Chemistry Frontiers","2014","1","2","159","","10.1039/c3qi00042g","","","0.71073","MoKα","","0.1691","0.1014","","","0.2622","0.2841","","","","","","1.006","","","","has coordinates,has disorder","244419","2020-10-21","18:00:00",""
"4350740","8.998","0.0009","7.7962","0.0009","18.1677","0.0018","90","","101.649","0.01","90","","1248.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Co2 N6 O7 -","- C6 H6 Co2 N6 O7 -","- C24 H24 Co8 N24 O28 -","4","1","","Zou, Ji-Yong; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Spin canting and metamagnetism in 3D pillared-layer homospin cobalt(ii) molecular magnetic materials constructed via a mixed ligands approach","Inorganic Chemistry Frontiers","2014","1","3","242","","10.1039/c3qi00045a","","","0.71073","MoKα","","0.0828","0.0634","","","0.1335","0.1427","","","","","","1.104","","","","has coordinates","244420","2020-10-21","18:00:00",""
"4350741","11.4527","0.0014","11.6239","0.0009","11.7754","0.001","64.825","0.008","81.406","0.009","72.316","0.009","1351.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H37.5 Co3 N12 O14.75 -","- C38 H24 Co3 N12 O14.75 -","- C38 H24 Co3 N12 O14.75 -","1","0.5","","Zou, Ji-Yong; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Spin canting and metamagnetism in 3D pillared-layer homospin cobalt(ii) molecular magnetic materials constructed via a mixed ligands approach","Inorganic Chemistry Frontiers","2014","1","3","242","","10.1039/c3qi00045a","","","0.71073","MoKα","","0.1183","0.0866","","","0.2442","0.2751","","","","","","1.088","","","","has coordinates,has disorder","244420","2020-10-21","18:00:00",""
"4350742","7.537","0.006","19.877","0.016","6.662","0.005","90","","90","","90","","998.1","1.4","333","2","333","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","0.25","","Zhang, Yi; Ye, Heng-Yun; Zhang, Wen; Xiong, Ren-Gen","Room-temperature ABX3-typed molecular ferroelectric: [C5H9‒NH3][CdCl3]","Inorganic Chemistry Frontiers","2014","1","1","118","","10.1039/c3qi00058c","","","0.71073","MoKα","","0.0289","0.0237","","","0.0571","0.0599","","","","","","1.078","","","","has coordinates","244421","2020-10-21","18:00:00",""
"4350743","7.533","0.01","19.4","0.02","6.753","0.009","90","","93.47","0.02","90","","985","2","233","2","233","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","1","","Zhang, Yi; Ye, Heng-Yun; Zhang, Wen; Xiong, Ren-Gen","Room-temperature ABX3-typed molecular ferroelectric: [C5H9‒NH3][CdCl3]","Inorganic Chemistry Frontiers","2014","1","1","118","","10.1039/c3qi00058c","","","0.71073","MoKα","","0.0342","0.0294","","","0.0728","0.0964","","","","","","1.128","","","","has coordinates","244421","2020-10-21","18:00:00",""
"4350744","5.7782","0.0002","20.4081","0.0008","16.1009","0.0008","90","","94.674","0.001","90","","1892.34","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Ag2 N6 -","- C20 H17 Ag2 N6 -","- C80 H68 Ag8 N24 -","4","1","","Li, Fang; Lin, Rui-Biao; Wei, Yong-Sheng; Liao, Pei-Qin; Bai, Jie; Xue, Wei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Metal-ion controlled solid-state reactivity and photoluminescence in two isomorphous coordination polymers","Inorganic Chemistry Frontiers","2014","1","2","172","","10.1039/c3qi00061c","","","0.71073","MoKα","","0.0374","0.0304","","","0.0947","0.1096","","","","","","1.005","","","","has coordinates","244422","2020-10-21","18:00:00",""
"4350745","5.7359","0.0005","20.4488","0.0017","15.4299","0.0013","90","","94.154","0.001","90","","1805.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cu2 N6 -","- C20 H17 Cu2 N6 -","- C80 H68 Cu8 N24 -","4","1","","Li, Fang; Lin, Rui-Biao; Wei, Yong-Sheng; Liao, Pei-Qin; Bai, Jie; Xue, Wei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Metal-ion controlled solid-state reactivity and photoluminescence in two isomorphous coordination polymers","Inorganic Chemistry Frontiers","2014","1","2","172","","10.1039/c3qi00061c","","","0.71073","MoKα","","0.0453","0.0334","","","0.0813","0.1117","","","","","","1.037","","","","has coordinates","244422","2020-10-21","18:00:00",""
"4350746","24.1319","0.001","24.1319","0.001","43.5952","0.0018","90","","90","","120","","21986.3","1.6","120","","120","","","","","","","","","5","R -3 :H","-R 3","148","C102H108N6O12(Me2SO)11(H2O)3","","","- C124 H180 N6 O26 S11 -","- C123.96 H179.88 N6 O25.99 S10.98 -","- C743.76 H1079.28 N36 O155.94 S65.88 -","6","0.333333","","Akine, Shigehisa; Miyashita, Masato; Piao, Shunjin; Nabeshima, Tatsuya","Perfect encapsulation of a guanidinium ion in a helical trinickel(ii) metallocryptand for efficient regulation of the helix inversion rate","Inorg. Chem. Front.","2014","1","1","53","","10.1039/C3QI00067B","","","0.71073","MoKα","","0.1155","0.0962","","","0.2112","0.2262","","","","","","1.025","","","","has coordinates,has disorder","244423","2020-10-21","18:00:00",""
"4350747","17.168","0.0006","19.06","0.0007","25.3558","0.0009","67.974","0.002","83.133","0.002","82.959","0.002","7608.9","0.5","120","","120","","","","","","","","","7","P -1","-P 1","2","[LNi3]_3DMSO_H2O_5DCM_4cyclohex","","","- C137 H180 Cl10 N6 Ni3 O16 S3 -","- C137.01 H180.02 Cl10.02 N6 Ni3 O16 S3 -","- C274.02 H360.04 Cl20.04 N12 Ni6 O32 S6 -","2","1","","Akine, Shigehisa; Miyashita, Masato; Piao, Shunjin; Nabeshima, Tatsuya","Perfect encapsulation of a guanidinium ion in a helical trinickel(ii) metallocryptand for efficient regulation of the helix inversion rate","Inorg. Chem. Front.","2014","1","1","53","","10.1039/C3QI00067B","","","0.71073","MoKα","","0.156","0.0987","","","0.2088","0.2444","","","","","","1.085","","","","has coordinates,has disorder","244423","2020-10-21","18:00:00",""
"4350748","17.831","0.003","21.045","0.004","24.615","0.004","106.808","0.003","108.969","0.003","91.349","0.003","8291","3","120","","120","","","","","","","","","7","P -1","-P 1","2","[LNi3]_2(CH6N3Cl)_1.5CHCl3_1.8DMSO_6.3EtOAc_4H2O","","","- C134.3 H184.7 Cl6.5 N12 Ni3 O30.4 S1.8 -","- C134.3 H176.7 Cl6.5 N12 Ni3 O30.4 S1.8 -","- C268.6 H353.4 Cl13 N24 Ni6 O60.8 S3.6 -","2","1","","Akine, Shigehisa; Miyashita, Masato; Piao, Shunjin; Nabeshima, Tatsuya","Perfect encapsulation of a guanidinium ion in a helical trinickel(ii) metallocryptand for efficient regulation of the helix inversion rate","Inorg. Chem. Front.","2014","1","1","53","","10.1039/C3QI00067B","","","0.71073","MoKα","","0.2038","0.0859","","","0.1769","0.2134","","","","","","1.177","","","","has coordinates,has disorder","244423","2020-10-21","18:00:00",""
"4350749","14.2919","0.0003","16.3158","0.0004","19.0083","0.0004","90","","97.809","0.002","90","","4391.32","0.17","110","","110","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H43 Cl N4 O2 P2 Ru S -","- C48 H43 Cl N4 O2 P2 Ru S -","- C192 H172 Cl4 N16 O8 P8 Ru4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Vaishnavi, E.; Rueffer, T.; Lang, H.; Poornima, P.; Renganathan, R.; Vijaya Padma, V.; Natarajan, K.","Synthesis, structure, DNA/protein binding and in vitro cytotoxicity of new ruthenium metallates","Inorganic Chemistry Frontiers","2014","1","4","311","","10.1039/c3qi00070b","","","0.71073","MoKα","","0.0599","0.0345","","","0.0703","0.0737","","","","","","0.919","","","","has coordinates,has disorder","244424","2020-10-21","18:00:00",""
"4350750","14.2779","0.0005","18.0273","0.0006","15.6331","0.0006","90","","103.194","0.004","90","","3917.6","0.3","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 N3 O2 P2 Ru S -","- C46 H39 N3 O2 P2 Ru S -","- C184 H156 N12 O8 P8 Ru4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Vaishnavi, E.; Rueffer, T.; Lang, H.; Poornima, P.; Renganathan, R.; Vijaya Padma, V.; Natarajan, K.","Synthesis, structure, DNA/protein binding and in vitro cytotoxicity of new ruthenium metallates","Inorganic Chemistry Frontiers","2014","1","4","311","","10.1039/c3qi00070b","","","0.71073","MoKα","","0.0416","0.0282","","","0.0633","0.0652","","","","","","0.92","","","","has coordinates","244424","2020-10-21","18:00:00",""
"4350751","8.3191","0.0002","12.0094","0.0002","13.376","0.0002","100.296","0.001","96.127","0.001","103.903","0.001","1260.55","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H39 Cl O2 P2 Pd -","- C22 H39 Cl O2 P2 Pd -","- C44 H78 Cl2 O4 P4 Pd2 -","2","1","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","1.54178","CuKα","","0.0301","0.0284","","","0.0755","0.0766","","","","","","1.05","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4350752","21.578","0.002","21.578","0.002","11.5095","0.0013","90","","90","","90","","5358.9","0.9","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C26 H39 Cl O2 P2 Pd -","- C26 H39 Cl O2 P2 Pd -","- C208 H312 Cl8 O16 P16 Pd8 -","8","0.5","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","0.8856","synchrotron","","0.0313","0.0298","","","0.0756","0.0763","","","","","","1.049","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4350753","16.4881","0.0002","10.6035","0.0001","15.7094","0.0002","90","","114.927","0.001","90","","2490.65","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 O2 P2 Pd -","- C22 H40 O2 P2 Pd -","- C88 H160 O8 P8 Pd4 -","4","1","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","1.54178","CuKα","","0.0308","0.027","","","0.0688","0.071","","","","","","1.043","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4350754","12.2605","0.0002","17.3087","0.0004","12.3482","0.0002","90","","99.811","0.001","90","","2582.13","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 O2 P2 Pd -","- C26 H40 O2 P2 Pd -","- C104 H160 O8 P8 Pd4 -","4","1","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","1.54178","CuKα","","0.0458","0.0339","","","0.0815","0.0876","","","","","","1.047","","","","has coordinates,has disorder","244425","2020-10-21","18:00:00",""
"4350755","26.224","0.003","15.8839","0.0018","11.0864","0.0012","90","","96.965","0.0016","90","","4583.8","0.9","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H44 O2 P2 Pd -","- C30 H44 O2 P2 Pd -","- C180 H264 O12 P12 Pd6 -","6","3","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","0.7749","synchrotron","","0.054","0.0389","","","0.0861","0.0926","","","","","","1.023","","","","has coordinates,has disorder","244425","2020-10-21","18:00:00",""
"4350756","7.8023","0.0002","14.4839","0.0004","12.0669","0.0003","90","","101.659","0.002","90","","1335.52","0.06","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H38 O2 P2 Pd -","- C26 H38 O2 P2 Pd -","- C52 H76 O4 P4 Pd2 -","2","0.5","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","1.54178","CuKα","","0.0318","0.0273","","","0.0693","0.072","","","","","","1.055","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4350757","8.0315","0.0002","10.3766","0.0002","14.2789","0.0003","100.667","0.001","103.372","0.001","101.595","0.001","1100.12","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H34 O2 P2 Pd -","- C19 H34 O2 P2 Pd -","- C38 H68 O4 P4 Pd2 -","2","1","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","1.54178","CuKα","","0.0347","0.0315","","","0.0803","0.0827","","","","","","1.057","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4350758","29.727","0.006","27.89","0.006","20.138","0.004","90","","95.33","0.03","90","","16624","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H72 Fe12 La4 O62 S24 -","- C120 H72 Fe12 La4 O62 S24 -","- C480 H288 Fe48 La16 O248 S96 -","4","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.1963","0.1216","","","0.253","0.2897","","","","","","1.098","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350759","17.441","0.004","18.664","0.004","28.858","0.006","107.129","0.003","91.45","0.001","115.983","0.004","7938","3","113","","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C244 H138 Fe24 N5 O124 S46 Sm8 -","- C244 H138 Fe24 N5 O124 S46 Sm8 -","- C244 H138 Fe24 N5 O124 S46 Sm8 -","1","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.0995","0.0888","","","0.2369","0.2472","","","","","","1.023","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350760","29.688","0.006","27.889","0.006","20.013","0.004","90","","95.96","0.03","90","","16481","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H76 Fe12 Gd4 O62 S24 -","- C120 H72 Fe12 Gd4 O62 S24 -","- C480 H288 Fe48 Gd16 O248 S96 -","4","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.153","0.1023","","","0.2185","0.2437","","","","","","1.105","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350761","29.63","0.006","27.93","0.006","19.955","0.004","90","","96.1","0.03","90","","16421","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H76 Dy4 Fe12 O62 S24 -","- C120 H72 Dy4 Fe12 O62 S24 -","- C480 H288 Dy16 Fe48 O248 S96 -","4","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.1562","0.1024","","","0.1924","0.2149","","","","","","1.138","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350762","17.982","0.004","19.269","0.004","19.494","0.004","60.62","0.03","68.77","0.03","74.31","0.03","5450","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C190 H108 Fe12 La4 N0 O82 -","- C190 H108 Fe12 La4 O82 -","- C190 H108 Fe12 La4 O82 -","1","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.2064","0.1045","","","0.2277","0.2815","","","","","","1.055","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350763","17.79","0.003","18.955","0.003","19.512","0.004","118.971","0.011","95.426","0.017","106.737","0.013","5293","2","113","","386","2","","","","","","","","6","P -1","-P 1","2","","","","- C200 H184 Fe12 N4 O86 Sm4 -","- C199 H177 Fe12 N4 O86 Sm4 -","- C199 H177 Fe12 N4 O86 Sm4 -","1","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.0581","0.0533","","","0.1623","0.1667","","","","","","1.055","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350764","14.3524","0.0007","14.3524","0.0007","19.1378","0.0008","90","","90","","120","","3414.1","0.3","293","2","296","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H31.98 N12 O25 Sm2 -","- C33 H31.98 N12 O25 Sm2 -","- C99 H95.94 N36 O75 Sm6 -","3","0.333333","","Shu, Yu-Bo; Tang, Xiao-Liang; Liu, Wei-Sheng","Sm and Eu(iii) lanthanide triple helicate cages based on N,N′-methylene-bis(pyridin-4-one)","Inorg. Chem. Front.","2014","1","3","226","","10.1039/C3QI00089C","","","0.71073","MoKα","","0.0233","0.0209","","","0.0383","0.0389","","","","","","0.983","","","","has coordinates","244427","2020-10-21","18:00:00",""
"4350765","14.359","0.002","14.359","0.002","19.115","0.004","90","","90","","120","","3413.1","1","296","2","296","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H31.98 Eu2 N12 O25 -","- C33 H31.98 Eu2 N12 O25 -","- C99 H95.94 Eu6 N36 O75 -","3","0.333333","","Shu, Yu-Bo; Tang, Xiao-Liang; Liu, Wei-Sheng","Sm and Eu(iii) lanthanide triple helicate cages based on N,N′-methylene-bis(pyridin-4-one)","Inorg. Chem. Front.","2014","1","3","226","","10.1039/C3QI00089C","","","0.71073","MoKα","","0.0822","0.0661","","","0.1345","0.143","","","","","","1.096","","","","has coordinates","244427","2020-10-21","18:00:00",""
"4350766","44.5471","0.0008","22.4094","0.0005","22.6423","0.0004","90","","94.056","0.002","90","","22546.6","0.8","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C222 H132 Cl8 N16 O9 Y2 -","- C222 H132 Cl8 N16 O9 Y2 -","- C888 H528 Cl32 N64 O36 Y8 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.1337","0.1255","","","0.3459","0.3718","","","","","","1.156","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350767","44.5558","0.0012","22.3269","0.0015","22.6969","0.0006","90","","94.091","0.002","90","","22521.2","1.7","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C200 H104 Cl8 Dy2 N16 O8 -","- C200 H104 Cl8 Dy2 N16 O8 -","- C800 H416 Cl32 Dy8 N64 O32 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.2652","0.1572","","","0.3444","0.4655","","","","","","1.451","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350768","44.5179","0.0006","22.3153","0.0003","22.6523","0.0002","90","","94.209","0.001","90","","22442.8","0.5","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C242 H151 Cl8 N16 O8 Y2 -","- C242 H151 Cl8 N16 O8 Y2 -","- C968 H604 Cl32 N64 O32 Y8 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54178","CuKα","","0.109","0.1046","","","0.3018","0.316","","","","","","1.211","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350769","44.4004","0.001","22.26","0.0006","22.6346","0.0004","90","","94.147","0.002","90","","22312.4","0.9","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C201 H108 Cl8 Dy2 N16 O9 -","- C201 H106 Cl9 Dy2 N16 O9 -","- C804 H424 Cl36 Dy8 N64 O36 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.1388","0.1141","","","0.3094","0.3329","","","","","","1.064","","","","has coordinates,has disorder","244428","2020-10-21","18:00:00",""
"4501447","16.8818","0.0005","10.7967","0.0003","20.6102","0.0006","90","","99.5901","0.0007","90","","3704.08","0.19","100.2","","100.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Cl4 N2 O2 Ti -","- C39 H42 Cl4 N2 O2 Ti -","- C156 H168 Cl16 N8 O8 Ti4 -","4","1","","Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori","Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation","ACS Catalysis","2011","1","4","254","","10.1021/cs100148a","","","0.7107","MoKα","","","0.0413","","","","0.1053","","","","","","0.872","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501448","15.976","0.002","25.591","0.002","10.943","0.005","90","","102.3","0.02","90","","4371","2","223.2","","223.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C47 H59 Cl2 N2 O2 Ti -","- C47 H32 Cl2 N2 O2 Ti -","- C188 H128 Cl8 N8 O8 Ti4 -","4","1","","Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori","Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation","ACS Catalysis","2011","1","4","254","","10.1021/cs100148a","","","0.7107","MoKα","","0.0635","0.0635","","","0.1676","0.1676","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501449","7.8416","0.0014","13.964","0.002","9.5724","0.0016","90","","106.198","0.003","90","","1006.6","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Br N4 O5 -","- C20 H19 Br N4 O5 -","- C40 H38 Br2 N8 O10 -","2","1","","Hua, Qiu-Lin; Li, Chao; Wang, Xu-Fan; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing","Enantioselective Synthesis of Chromans with a Quaternary Stereogenic Centre through Catalytic Asymmetric Cascade Reactions","ACS Catalysis","2011","1","3","221","","10.1021/cs100161k","","","0.71073","MoKα","","0.0406","0.034","","","0.0769","0.079","","","","","","0.947","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501450","10.8363","0.0005","13.4156","0.0005","16.1656","0.0007","90","","96.788","0.001","90","","2333.61","0.17","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B N3 O3 Zn -","- C22 H32 B N3 O3 Zn -","- C88 H128 B4 N12 O12 Zn4 -","4","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.0308","0.0245","","","0.067","0.0704","","","","","","1.04","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501451","21.569","0.009","9.896","0.004","15.813","0.007","90","","106.292","0.006","90","","3240","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sad225","","","- C31 H42 B N3 O4.5 Zn -","- C29 H38 B N3 O4 Zn -","- C116 H152 B4 N12 O16 Zn4 -","4","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.056","0.0403","","","0.1033","0.1123","","","","","","0.834","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501452","7.821","0.002","8.589","0.003","13.088","0.004","84.193","0.004","86.915","0.004","63.19","0.004","780.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Sad221_David","","","- C17 H20 O2 Si -","- C17 H20 O2 Si -","- C34 H40 O4 Si2 -","2","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.1013","0.0593","","","0.1372","0.1564","","","","","","1.034","","","","has coordinates,has disorder","301842","2025-08-21","00:37:09",""
"4501453","7.7423","0.0004","12.8158","0.0007","13.6032","0.0008","90","","97.565","0.001","90","","1338.01","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sad220","","","- C13 H20 O2 Si -","- C13 H20 O2 Si -","- C52 H80 O8 Si4 -","4","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.0405","0.0382","","","0.1036","0.106","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501455","17.633","0.003","10.0494","0.0016","22.504","0.003","90","","97.714","0.003","90","","3951.6","1.1","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 Hf N5 S -","- C41 H55 Hf N5 S -","- C164 H220 Hf4 N20 S4 -","4","1","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.0404","0.0307","","","0.0792","0.0824","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501456","11.2458","0.001","13.4734","0.0011","13.5863","0.0011","67.489","0.002","81.795","0.002","88.766","0.002","1881","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Hf N2 S -","- C38 H46 Hf N2 S -","- C76 H92 Hf2 N4 S2 -","2","1","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.1059","0.0564","","","0.1563","0.1725","","","","","","1.018","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501457","14.4153","0.0019","14.2346","0.0019","16.653","0.002","90","","98.959","0.003","90","","3375.4","0.8","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Hf N4 O S -","- C35 H46 Hf N4 O S -","- C140 H184 Hf4 N16 O4 S4 -","4","1","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.0464","0.0301","","","0.0731","0.0782","","","","","","1.015","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501458","21.626","0.005","19.173","0.004","25.68","0.005","90","","108.965","0.004","90","","10070","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Hf N6 O -","- C48 H72 Hf N6 O -","- C384 H576 Hf8 N48 O8 -","8","2","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.2164","0.0813","","","0.1783","0.2299","","","","","","0.971","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501459","8.972","0.0002","9.6985","0.0002","18.4616","0.0003","100.458","0.001","94.892","0.001","90.021","0.001","1573.79","0.05","200","2","200","2","","","","","","","","7","P -1","-P 1","2","8 in manuscript","","","- C33 H49 Cl N O P Ru -","- C33 H49 Cl N O P Ru -","- C66 H98 Cl2 N2 O2 P2 Ru2 -","2","1","","Schachner, Jörg A.; Cabrera, José; Padilla, Robin; Fischer, Christoph; van der Schaaf, Paul A.; Pretot, Roger; Rominger, Frank; Limbach, Michael","A Set of Olefin Metathesis Catalysts with Extraordinary Stickiness to Silica","ACS Catalysis","2011","1","8","872","","10.1021/cs2002109","","","0.71073","MoKα","","0.0861","0.0528","","","0.0828","0.0924","","","","","","1.057","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501460","16.7458","0.0015","16.9502","0.0015","14.9589","0.0013","90","","109.887","0.002","90","","3992.8","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","10 in manuscript","","","- C43 H50 Cl N3 O Ru -","- C43 H50 Cl N3 O Ru -","- C172 H200 Cl4 N12 O4 Ru4 -","4","1","","Schachner, Jörg A.; Cabrera, José; Padilla, Robin; Fischer, Christoph; van der Schaaf, Paul A.; Pretot, Roger; Rominger, Frank; Limbach, Michael","A Set of Olefin Metathesis Catalysts with Extraordinary Stickiness to Silica","ACS Catalysis","2011","1","8","872","","10.1021/cs2002109","","","0.71073","MoKα","","0.0579","0.0463","","","0.1058","0.1106","","","","","","1.096","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501461","7.944","0.004","8.854","0.004","16.032","0.007","79.805","0.009","81.63","0.012","80.763","0.011","1087.4","0.9","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 F5 N4 O4 Zn -","- C18 H20 F6 N4 O4 Zn -","- C36 H40 F12 N8 O8 Zn2 -","2","1","","Maegawa, Yusuke; Ohshima, Takashi; Hayashi, Yukiko; Agura, Kazushi; Iwasaki, Takanori; Mashima, Kazushi","Additive Effect ofN-Heteroaromatics on Transesterification Catalyzed by Tetranuclear Zinc Cluster","ACS Catalysis","2011","1","10","1178","","10.1021/cs200224b","","","0.71075","MoKα","","0.0615","0.0477","","","0.1315","0.1532","","","","","","1.058","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501462","13.76","0.003","24.958","0.006","14.913","0.004","90","","101.799","0.004","90","","5013","2","138","2","138","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H78 N2 O8 Pd Si2 -","- C42 H78 N2 O8 Pd Si2 -","- C168 H312 N8 O32 Pd4 Si8 -","4","1","","Choi, Yeon S.; Moschetta, Eric G.; Miller, Jeffrey T.; Fasulo, Meg; McMurdo, Meredith J.; Rioux, Robert M.; Tilley, T. Don","Highly Dispersed Pd-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pd(II)","ACS Catalysis","2011","1","10","1166","","10.1021/cs2002719","","","0.71073","MoKα","","0.078","0.0506","","","0.1108","0.1271","","","","","","1.066","","","","has coordinates,has disorder","301842","2025-08-21","00:37:09",""
"4501463","33.989","0.004","9.3744","0.001","28.483","0.003","90","","121.11","0.001","90","","7770.2","1.5","128","2","128","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H54 N2 O4 Pd Si -","- C36.483 H51.669 N2 O4 Pd Si -","- C291.864 H413.352 N16 O32 Pd8 Si8 -","8","1","","Choi, Yeon S.; Moschetta, Eric G.; Miller, Jeffrey T.; Fasulo, Meg; McMurdo, Meredith J.; Rioux, Robert M.; Tilley, T. Don","Highly Dispersed Pd-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pd(II)","ACS Catalysis","2011","1","10","1166","","10.1021/cs2002719","","","0.71073","MoKα","","0.0465","0.0406","","","0.1316","0.1369","","","","","","1.602","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501464","8.8289","0.0008","32.679","0.003","16.3726","0.0015","90","","90","","90","","4723.8","0.7","123","2","123","2","","","","","","","","7","F d d 2","F 2 -2d","43","07218b","","","- C16 H30 F6 Fe N4 O6 S2 -","- C16 H30 F6 Fe N4 O6 S2 -","- C128 H240 F48 Fe8 N32 O48 S16 -","8","0.5","","Feng, Yan; England, Jason; Que, Lawrence","Iron-Catalyzed Olefin Epoxidation and cis-Dihydroxylation by Tetraalkylcyclam Complexes: the Importance of cis-Labile Sites","ACS Catalysis","2011","1","9","1035","","10.1021/cs200292h","","","0.71073","MoKα","","0.0224","0.0213","","","0.0544","0.0551","","","","","","1.097","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501465","7.7306","0.0015","10.879","0.002","13.935","0.003","87.26","0.03","78.61","0.03","82.14","0.03","1137.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl4 N3 Ni O2 -","- C20 H23 Cl4 N3 Ni O2 -","- C40 H46 Cl8 N6 Ni2 O4 -","2","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.0476","0.0443","","","0.1223","0.1246","","","","","","1.229","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501466","9.1206","0.0018","28.489","0.006","9.4194","0.0019","90","","116.45","0.03","90","","2191.3","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl2 N3 Ni O2 -","- C21 H25 Cl2 N3 Ni O2 -","- C84 H100 Cl8 N12 Ni4 O8 -","4","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.061","0.054","","","0.1043","0.1081","","","","","","1.168","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501467","8.4918","0.0017","11.126","0.002","14.794","0.003","107.41","0.03","103.11","0.03","96.34","0.03","1274.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cl2 N3 Ni O2 -","- C21 H25 Cl2 N3 Ni O2 -","- C42 H50 Cl4 N6 Ni2 O4 -","2","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.0724","0.0644","","","0.1856","0.1924","","","","","","1.064","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501468","9.1269","0.0018","10.212","0.002","12.557","0.003","112.06","0.03","96.8","0.03","98.4","0.03","1053.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl3 N3 Ni0.5 O2 -","- C20 H23 Cl3 N3 Ni0.5 O2 -","- C40 H46 Cl6 N6 Ni O4 -","2","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.0753","0.0643","","","0.159","0.1703","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505843","6.499","0.003","12.666","0.004","7.348","0.003","90","","115.94","0.03","90","","543.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","fac-(diethylenetriamine)tricyanocobalt(III)","","- C7 H13 Co N6 -","- C7 H13 Co N6 -","- C14 H26 Co2 N12 -","2","0.5","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0406","0.0257","","0.07","","0.0657","","","1.053","","","1.106","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505844","8.2641","0.001","13.261","0.003","10.393","0.002","90","","91.93","0.02","90","","1138.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","fac-(diethylenetriamine)tricyanocobalt(III) monohydrate","","- C7 H15 Co N6 O -","- C7 H15 Co N6 O -","- C28 H60 Co4 N24 O4 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0415","0.0321","","0.0893","","0.0849","","","1.086","","","1.135","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505845","6.594","0.002","7.217","0.003","14.305","0.003","77.61","0.02","78.56","0.02","68.17","0.03","611.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","[N,N-(2-aminoethyl)-methyl-1,3-propanediamine]tricyanocobalt(III)","","- C9 H17 Co N6 -","- C9 H17 Co N6 -","- C18 H34 Co2 N12 -","2","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.1038","0.0694","","0.1827","","0.1671","","","0.993","","","1.097","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505846","9.057","0.004","17.702","0.007","6.699","0.003","90","","90","","90","","1074","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mer-[N-(2-aminoethyl)-1,3-propanediamine]trichlorocobalt(III)","","- C5 H15 Cl3 Co N3 -","- C5 H15 Cl3 Co N3 -","- C20 H60 Cl12 Co4 N12 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.1232","0.069","","0.2305","","0.1916","","","1.068","","","1.15","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505847","9.1548","0.0011","12.731","0.002","13.7204","0.0011","90","","90","","90","","1599.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mer-[N-(2-aminoethyl)-1,3-propanediamine]triacetatocobalt(III)","","- C11 H24 Co N3 O6 -","- C11 H24 Co N3 O6 -","- C44 H96 Co4 N12 O24 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0475","0.0302","","0.0839","","0.0786","","","1.005","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505848","9.5719","0.0013","13.8582","0.0014","8.849","0.002","90","","90","","90","","1173.8","0.3","293","2","293","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","mer-cis-[N-(2-aminoethyl)-1,3-propanediamine]cyanodinitrocobalt(III)","","- C6 H15 Co N6 O4 -","- C6 H15 Co N6 O4 -","- C24 H60 Co4 N24 O16 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0729","0.0407","","0.1233","","0.1132","","","1.051","","","1.223","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505849","8.0875","0.0011","11.677","0.003","12.218","0.002","90","","90","","90","","1153.8","0.4","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","","mer-cis-[N-(2-aminoethyl)-1,3-propanediamine]dinitromethylcobalt(III)","","- C6 H18 Co N5 O4 -","- C6 H18 Co N5 O4 -","- C24 H72 Co4 N20 O16 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0434","0.022","","0.0556","","0.0522","","","1.079","","","1.218","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505850","10.4405","0.0011","10.3493","0.0008","12.3209","0.0012","90","","90","","90","","1331.3","0.2","248","2","248","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 S -","- C14 H16 O3 S -","- C56 H64 O12 S4 -","4","1","","Ahn, Shinbyoung; Kariuki, Benson M.; Harris, Kenneth D. M.","Polymorphs of a 1:1 Cocrystal with Tunnel and Layer Structures: p,p‘-Biphenol/Dimethyl Sulfoxide","Crystal Growth & Design","2001","1","2","107","","10.1021/cg000010b","","","0.71069","MoKα","","0.0446","0.0412","","0.096","0.0945","","","","1.113","1.115","1.115","","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505851","3.719","0.003","12.62","0.01","8.8","0.006","90","","97.63","0.02","90","","409.4","0.5","298","","298","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cl2 Cu N2 S -","- C6 H4 Cl2 Cu N2 S -","- C12 H8 Cl4 Cu2 N4 S2 -","2","0.5","","Papaefstathiou, Giannis S.; Tsohos, Alexandros; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Gatteschi, Dante; Perlepes, Spyros P.","Crystal Engineering: Stacking Interactions Control the Crystal Structures of Benzothiadiazole (btd) and Its Complexes with Copper(II) and Copper(I) Chlorides","Crystal Growth & Design","2001","1","3","191","","10.1021/cg010284e","","","0.71073","MoKα","","0.0531","0.051","","0.1326","0.128","","","","1.053","1.054","1.054","","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505852","3.84","0.002","12.229","0.005","15.724","0.006","90","","90","","90","","738.4","0.6","298","","298","","","","","","","","","6","I b m 2","I 2 -2b","46","","","","- C6 H4 Cl Cu N2 S -","- C6 H4 Cl Cu N2 S -","- C24 H16 Cl4 Cu4 N8 S4 -","4","0.5","","Papaefstathiou, Giannis S.; Tsohos, Alexandros; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Gatteschi, Dante; Perlepes, Spyros P.","Crystal Engineering: Stacking Interactions Control the Crystal Structures of Benzothiadiazole (btd) and Its Complexes with Copper(II) and Copper(I) Chlorides","Crystal Growth & Design","2001","1","3","191","","10.1021/cg010284e","","","0.71073","MoKα","","0.0271","0.0238","","0.0663","0.0638","","","","1.088","1.101","1.101","","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505853","27.128","0.003","4.793","0.001","22.658","0.002","90","","114.76","0.01","90","","2675.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N4 O4 S -","- C30 H26 N4 O4 S -","- C120 H104 N16 O16 S4 -","4","0.5","","Pedireddi, V. R.","Design and Synthesis of Novel Aza-Aromatic Host−Guest Complexes: Crystal Structures of 1,7-Phenanthroline with Thiodipropionic and Thiodiglycolic Acids","Crystal Growth & Design","2001","1","5","383","","10.1021/cg015511r","","","0.71073","MoKα","","0.0589","0.0413","","0.1017","0.0887","","","","1.103","1.119","1.119","","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505854","22.317","0.006","6.846","0.002","20.946","0.009","90","","108.82","0.05","90","","3029","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C128 H112 N16 O32 S8 -","8","1","","Pedireddi, V. R.","Design and Synthesis of Novel Aza-Aromatic Host−Guest Complexes: Crystal Structures of 1,7-Phenanthroline with Thiodipropionic and Thiodiglycolic Acids","Crystal Growth & Design","2001","1","5","383","","10.1021/cg015511r","","","0.71073","MoKα","","0.1426","0.0509","","0.2628","0.1046","","","","0.95","0.875","0.875","","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505855","26.915","0.003","7.9216","0.0006","14.263","0.0004","90","","105.618","0.001","90","","2928.7","0.4","298","1","298","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-mercapto-1-methyl-imidazole.tetrafluoro-1,4-diiodobenzene (1/1)","","- C10 H6 F4 I2 N2 S -","- C10 H6 F4 I2 N2 S -","- C80 H48 F32 I16 N16 S8 -","8","1","","Jay, Julie I.; Padgett, Clifford W.; Walsh, Rosa D. B.; Hanks, Timothy W.; Pennington, William T.","Noncovalent Interactions in 2-Mercapto-1-methylimidazole Complexes with Organic Iodides","Crystal Growth & Design","2001","1","6","501","","10.1021/cg015538a","","","0.71073","MoKα","","0.0563","0.0363","","","0.0833","0.0951","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505856","20.1789","0.0012","10.7824","0.001","14.5072","0.0002","90","","118.767","0.001","90","","2766.9","0.3","298","1","298","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-mercapto-1-methyl-imidazole.tetraiodoethylene (1/1)","","- C6 H6 I4 N2 S -","- C6 H6 I4 N2 S -","- C48 H48 I32 N16 S8 -","8","1","","Jay, Julie I.; Padgett, Clifford W.; Walsh, Rosa D. B.; Hanks, Timothy W.; Pennington, William T.","Noncovalent Interactions in 2-Mercapto-1-methylimidazole Complexes with Organic Iodides","Crystal Growth & Design","2001","1","6","501","","10.1021/cg015538a","","","0.71073","MoKα","","0.0553","0.0492","","","0.1245","0.1302","","","","","","1.087","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505857","7.4978","0.0007","8.1906","0.0012","11.6512","0.0012","83.245","0.004","84.695","0.003","86.135","0.003","706.35","0.14","298","1","298","1","","","","","","","","6","P -1","-P 1","2","","2-mercapto-1-methyl-imidazole.tetrafluoro-1,2-diiodobenzene (1/1)","","- C10 H6 F4 I2 N2 S -","- C10 H6 F4 I2 N2 S -","- C20 H12 F8 I4 N4 S2 -","2","1","","Jay, Julie I.; Padgett, Clifford W.; Walsh, Rosa D. B.; Hanks, Timothy W.; Pennington, William T.","Noncovalent Interactions in 2-Mercapto-1-methylimidazole Complexes with Organic Iodides","Crystal Growth & Design","2001","1","6","501","","10.1021/cg015538a","","","0.71073","MoKα","","0.0359","0.0332","","","0.082","0.0844","","","","","","1.113","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505858","9.9","0.004","9.926","0.001","16.705","0.003","83.825","0.012","86.673","0.023","71.387","0.019","1546.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","CuCl4 + 2DMANH","","","- C28 H38 Cl4 Cu N4 -","- C28 H38 Cl4 Cu N4 -","- C56 H76 Cl8 Cu2 N8 -","2","1","","Valdés-Martínez, Jesús; Del Rio-Ramirez, Marisa; Hernández-Ortega, Simón; Aakeröy, Christer B.; Helfrich, Brian","Demonstrating the Importance of Hydrogen Bonds through the Absence of Hydrogen Bonds","Crystal Growth & Design","2001","1","6","485","","10.1021/cg0155393","","","0.71073","MoKα","","0.1139","0.0546","","","0.1006","0.1208","","","","","","1.001","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505859","9.6535","0.0009","9.7211","0.0011","19.3952","0.0017","75.645","0.009","77.522","0.006","65.741","0.009","1594.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","CuBr4 + 2DMANH","","","- C28 H38 Br4 Cu N4 -","- C28 H38 Br4 Cu N4 -","- C56 H76 Br8 Cu2 N8 -","2","1","","Valdés-Martínez, Jesús; Del Rio-Ramirez, Marisa; Hernández-Ortega, Simón; Aakeröy, Christer B.; Helfrich, Brian","Demonstrating the Importance of Hydrogen Bonds through the Absence of Hydrogen Bonds","Crystal Growth & Design","2001","1","6","485","","10.1021/cg0155393","","","0.71073","MoKα","","0.1254","0.0534","","","0.0902","0.1109","","","","","","0.99","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505860","15.237","0.003","11.774","0.002","17.443","0.004","90","","94.113","0.004","90","","3121.2","1.1","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ZnCl4 + 2DMANH","","","- C28 H38 Cl4 N4 Zn -","- C28 H38 Cl4 N4 Zn -","- C112 H152 Cl16 N16 Zn4 -","4","0.5","","Valdés-Martínez, Jesús; Del Rio-Ramirez, Marisa; Hernández-Ortega, Simón; Aakeröy, Christer B.; Helfrich, Brian","Demonstrating the Importance of Hydrogen Bonds through the Absence of Hydrogen Bonds","Crystal Growth & Design","2001","1","6","485","","10.1021/cg0155393","","","0.71073","MoKα","","0.0518","0.0397","","","0.1064","0.1126","","","","","","1.085","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505861","14.816","0.003","12.46","0.002","18.734","0.003","90","","93.95","0.03","90","","3450.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cu2Cl6 + 2PSPG","","","- C14 H19 Cl3 Cu N2 -","- C14 H19 Cl3 Cu N2 -","- C112 H152 Cl24 Cu8 N16 -","8","1","","Valdés-Martínez, Jesús; Del Rio-Ramirez, Marisa; Hernández-Ortega, Simón; Aakeröy, Christer B.; Helfrich, Brian","Demonstrating the Importance of Hydrogen Bonds through the Absence of Hydrogen Bonds","Crystal Growth & Design","2001","1","6","485","","10.1021/cg0155393","","","0.71073","MoKα","","0.12","0.0594","","","0.1343","0.1633","","","","","","1.014","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4510954","6.6012","0.0001","11.6826","0.0003","29.9592","0.0007","90","","90","","90","","2310.43","0.09","200","2","200","2","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","Wyeth WAY-260022-A-6 [L31097-45-A]","1-{(1<i>S</i>)-2-[(<i>cis</i>)-3,5-Dimethylpiperazin-l-yl]-1- [3-(trifluoromethoxy)phenyl]ethyl}cyclohexanol Dihydrochloride","","- C21 H33 Cl2 F3 N2 O2 -","- C21 H33 Cl2 F3 N2 O2 -","- C84 H132 Cl8 F12 N8 O8 -","4","1","","Gavrin, Lori K.; Mahaney, Paige E.; Jenkins, Douglas; Nogle, Lisa M.; Mugford, Cheryl A.; Huselton, Christine; Leiter, Jennifer; Johnston, Grace H.; Bray, Jenifer A.; Burroughs, Kevin D.; Cosmi, Scott A.; Alfinito, Peter; Ho, Douglas M.; Deecher, Darlene C.; Trybulski, Eugene J.","Discovery of WAY-260022, a Potent and Selective Inhibitor of the Norepinephrine Transporter","ACS Medicinal Chemistry Letters","2010","1","3","91","","10.1021/ml100009p","","","0.71073","MoKα","","0.0562","0.0411","","","0.0829","0.0892","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511018","13.6175","0.0006","13.6175","0.0006","15.2157","0.0007","90","","90","","120","","2443.53","0.19","","","","","","","","","","","","6","P 31","P_31","144","","","","- C39 H25 F7 Ir N4 P -","- C39 H25 F7 Ir N4 P -","- C117 H75 F21 Ir3 N12 P3 -","3","1","","Chiu, Yuan-Chieh; Chi, Yun; Hung, Jui-Yi; Cheng, Yi-Ming; Yu, Ya-Chien; Chung, Ming-Wen; Lee, Gene-Hsiang; Chou, Pi-Tai; Chen, Chung-Chia; Wu, Chung-Chih; Hsieh, Hsi-Ying","Blue to true-blue phosphorescent Ir(III) complexes bearing a nonconjugated ancillary phosphine chelate: strategic synthesis, photophysics, and device integration.","ACS applied materials & interfaces","2009","1","2","433","442","10.1021/am800122n","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511019","12.2981","0.0005","19.0081","0.0009","17.3305","0.0008","90","","102.658","0.001","90","","3952.8","0.3","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H26 Cl3 F9 Ir N8 P -","- C36.5 H26 Cl3 F9 Ir N8 P -","- C146 H104 Cl12 F36 Ir4 N32 P4 -","4","1","","Chiu, Yuan-Chieh; Chi, Yun; Hung, Jui-Yi; Cheng, Yi-Ming; Yu, Ya-Chien; Chung, Ming-Wen; Lee, Gene-Hsiang; Chou, Pi-Tai; Chen, Chung-Chia; Wu, Chung-Chih; Hsieh, Hsi-Ying","Blue to true-blue phosphorescent Ir(III) complexes bearing a nonconjugated ancillary phosphine chelate: strategic synthesis, photophysics, and device integration.","ACS applied materials & interfaces","2009","1","2","433","442","10.1021/am800122n","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","208206","2020-10-21","18:00:00",""
"4511020","5.4015","0.0004","8.1001","0.0006","10.5161","0.0007","89.601","0.005","84.818","0.005","72.954","0.004","438.01","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C20 H20 O6 -","1","0.5","","Klinger, Markus; Tolbod, Lars Poulsen; Gothelf, Kurt V.; Ogilby, Peter R.","Effect of polymer cross-links on oxygen diffusion in glassy PMMA films.","ACS applied materials & interfaces","2009","1","3","661","667","10.1021/am800197j","","x-ray","0.71073","MoKα","","0.0912","0.0539","","","","0.1263","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511021","15.164","0.005","17.083","0.006","17.242","0.006","117.569","0.005","104.876","0.005","100.075","0.005","3595","2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C35.25 H34.5 Cl0.5 F3 Ir N4 O3 S -","- C34 H34 Ir N4 O2 -","- C136 H136 Ir4 N16 O8 -","4","2","","Habibagahi, Arezoo; Mébarki, Youssef; Sultan, Yasir; Yap, Glenn P. A.; Crutchley, Robert J.","Water-based oxygen-sensor films.","ACS applied materials & interfaces","2009","1","8","1785","1792","10.1021/am900306a","","","0.71073","MoKα","","0.0656","0.0516","","","0.1433","0.1526","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511022","5.5362","0.0006","18.135","0.004","7.915","0.002","90","","95.013","0.017","90","","791.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 Ca O7 P -","- C3 H9 Ca O7 P -","- C12 H36 Ca4 O28 P4 -","4","1","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Zhao, Hong","Novel calcium carboxyphosphonate/polycarboxylate inorganic-organic hybrid materials from demineralization of calcitic biomineral surfaces.","ACS applied materials & interfaces","2009","1","1","35","38","10.1021/am800030h","","","0.71073","MoKα","","0.0278","0.0249","","","0.0689","0.0702","","","","","","1.072","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511023","6.32","0.03","7.5","0.02","9.06","0.03","97.4","0.3","97.2","0.3","93.24","0.18","421","3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 Ca O8 -","- C4 H4 Ca O8 -","- C8 H8 Ca2 O16 -","2","1","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Zhao, Hong","Novel calcium carboxyphosphonate/polycarboxylate inorganic-organic hybrid materials from demineralization of calcitic biomineral surfaces.","ACS applied materials & interfaces","2009","1","1","35","38","10.1021/am800030h","","","0.71073","MoKα","","0.071","0.0685","","","0.1818","0.1868","","","","","","1.094","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511024","11.286","0.003","9.1194","0.0017","11.107","0.003","90","","90","","90","","1143.1","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H12 O10 Sr -","- C8 H12 O10 Sr -","- C32 H48 O40 Sr4 -","4","0.5","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Zhao, Hong","Novel calcium carboxyphosphonate/polycarboxylate inorganic-organic hybrid materials from demineralization of calcitic biomineral surfaces.","ACS applied materials & interfaces","2009","1","1","35","38","10.1021/am800030h","","","0.71073","MoKα","","0.0314","0.0254","","","0.066","0.0684","","","","","","1.073","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4515189","12.2981","0.0007","12.3163","0.0008","17.2102","0.0011","83.575","0.002","79.708","0.002","89.976","0.002","2548.2","0.3","302","2","302","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 F10 I8 N4 Pb2 -","- C32 H38 F10 I8 N4 Pb2 -","- C64 H76 F20 I16 N8 Pb4 -","2","1","","Hu, Jun; Oswald, Iain W. H.; Hu, Huamin; Stuard, Samuel J.; Nahid, Masrur Morshed; Yan, Liang; Chen, Zheng; Ade, Harald; Neilson, James R.; You, Wei","Aryl-Perfluoroaryl Interaction in Two-Dimensional Organic‒Inorganic Hybrid Perovskites Boosts Stability and Photovoltaic Efficiency","ACS Materials Letters","2019","1","1","171","","10.1021/acsmaterialslett.9b00102","","","0.71073","MoKα","","0.1095","0.0717","","","0.1832","0.2018","","","","","","1.168","","","","has coordinates,has disorder","220291","2020-10-21","18:00:00",""
"4515190","11.7229","0.0007","16.091","0.0008","19.5838","0.0011","83.814","0.005","74.318","0.005","87.882","0.005","3535.8","0.4","149.8","","149.8","","","","","","","","","4","P -1","-P 1","2","","","","- C160 H164 N5 O28 -","- C160 H164 N5 O28 -","- C160 H164 N5 O28 -","1","0.5","","Shi, Bingbing; Shangguan, Liqing; Wang, Huanhuan; Zhu, Huangtianzhi; Xing, Hao; Liu, Peiren; Liu, Yuezhou; Liu, Jiyong; Huang, Feihe","Pillar[5]arene-Based Molecular Recognition Induced Crystal-to-Crystal Transformation and Its Application in Adsorption of Adiponitrile in Water","ACS Materials Letters","2019","1","1","111","","10.1021/acsmaterialslett.9b00163","","","0.71073","MoKα","","0.1188","0.0719","","","0.1887","0.2299","","","","","","1.036","","","","has coordinates,has disorder","220292","2020-10-21","18:00:00",""
"4515191","11.8512","0.0005","16.3125","0.0008","19.6256","0.001","84.105","0.004","74.395","0.004","88.433","0.004","3634.9","0.3","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C164 H180 N5 O28 -","- C164 H180 N5 O28 -","- C164 H180 N5 O28 -","1","0.5","","Shi, Bingbing; Shangguan, Liqing; Wang, Huanhuan; Zhu, Huangtianzhi; Xing, Hao; Liu, Peiren; Liu, Yuezhou; Liu, Jiyong; Huang, Feihe","Pillar[5]arene-Based Molecular Recognition Induced Crystal-to-Crystal Transformation and Its Application in Adsorption of Adiponitrile in Water","ACS Materials Letters","2019","1","1","111","","10.1021/acsmaterialslett.9b00163","","","0.71073","MoKα","","0.1169","0.063","","","0.1505","0.1865","","","","","","1.023","","","","has coordinates","220293","2020-10-21","18:00:00",""
"4515192","14.50238","0.00013","21.17437","0.00016","21.92873","0.00017","90","","90","","90","","6733.85","0.09","140","0.1","140","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C81 H56 B4 Cl4 N4 O8 -","- C81 H56 B4 Cl4 N4 O8 -","- C324 H224 B16 Cl16 N16 O32 -","4","1","","Stephens, Alexander J.; Scopelliti, Rosario; Tirani, Farzaneh Fadaei; Solari, Euro; Severin, Kay","Crystalline Polymers Based on Dative Boron‒Nitrogen Bonds and the Quest for Porosity","ACS Materials Letters","2019","1","1","3","","10.1021/acsmaterialslett.9b00054","","x-ray","1.54184","CuKα","","0.074","0.0666","","","0.1891","0.1987","","","","","","1.057","","","","has coordinates,has disorder","220294","2020-10-21","18:00:00",""
"4515193","12.1125","0.0008","15.6299","0.001","23.3077","0.0012","87.084","0.005","75.549","0.005","72.54","0.006","4074.7","0.5","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C73 H52 B4 N8 O8 -","- C73 H52 B4 N8 O8 -","- C146 H104 B8 N16 O16 -","2","1","","Stephens, Alexander J.; Scopelliti, Rosario; Tirani, Farzaneh Fadaei; Solari, Euro; Severin, Kay","Crystalline Polymers Based on Dative Boron‒Nitrogen Bonds and the Quest for Porosity","ACS Materials Letters","2019","1","1","3","","10.1021/acsmaterialslett.9b00054","","x-ray","1.54184","CuKα","","0.1516","0.1298","","","0.4025","0.4293","","","","","","1.6","","","","has coordinates","220295","2020-10-21","18:00:00",""
"4515194","25.3403","0.0003","25.3403","0.0003","25.3403","0.0003","90","","90","","90","","16271.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C36 H24 N12 Ni4 O3 -","- C36 H24 N12 Ni4 O3 -","- C288 H192 N96 Ni32 O24 -","8","0.0416667","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong","Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks","ACS Materials Letters","2019","1","1","20","","10.1021/acsmaterialslett.9b00021","","x-ray","0.71073","MoKα","","0.0319","0.0286","","","0.0791","0.0808","","","","","","1.1","","","","has coordinates","220296","2020-10-21","18:00:00",""
"4515195","28.7935","0.0002","28.7935","0.0002","21.0494","0.0003","90","","90","","90","","17451.3","0.3","253","2","253","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C66 H34 N12 Ni4 O3 -","- C66 H34 N12 Ni4 O3 -","- C264 H136 N48 Ni16 O12 -","4","0.25","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong","Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks","ACS Materials Letters","2019","1","1","20","","10.1021/acsmaterialslett.9b00021","","x-ray","1.54178","CuKα","","0.1208","0.1108","","","0.3317","0.3406","","","","","","1.062","","","","has coordinates,has disorder","220297","2020-10-21","18:00:00",""
"4515196","25.351","0.0005","25.351","0.0005","25.351","0.0005","90","","90","","90","","16292.4","0.6","100","10","100","10","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C78 H24 N30 Ni8 O6 -","- C78 H24 N30 Ni8 O6 -","- C312 H96 N120 Ni32 O24 -","4","0.0208333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong","Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks","ACS Materials Letters","2019","1","1","20","","10.1021/acsmaterialslett.9b00021","","x-ray","1.54178","CuKα","","0.0736","0.0673","","","0.2136","0.2284","","","","","","1.179","","","","has coordinates","220298","2020-10-21","18:00:00",""
"4515197","24.844","0.005","19.736","0.004","29.107","0.006","90","","109.15","0.03","90","","13482","5","194","2","194","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C122 H107 Au10 F12 N9 O P10 S4 -","- C122 H107 Au10 F12 N9 O P10 S4 -","- C488 H428 Au40 F48 N36 O4 P40 S16 -","4","1","","Chu, Anlea; Hau, Franky Ka-Wah; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Decanuclear Gold(I) Sulfido Pseudopolymorphs Displaying Stimuli-Responsive RGBY Luminescence Changes","ACS Materials Letters","2019","1","2","277","","10.1021/acsmaterialslett.9b00175","","","0.7199","synchrotron","","0.0323","0.0297","","","0.0803","0.0819","","","","","","1.032","","","","has coordinates,has disorder","220299","2020-10-21","18:00:00",""
"4515198","19.326","0.004","24.028","0.005","30.005","0.006","90","","91.82","0.03","90","","13926","5","194","2","194","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C124 H112 Au10 Cl8 F12 N8 P10 S4 -","- C124 H112 Au10 Cl8 F12 N8 P10 S4 -","- C496 H448 Au40 Cl32 F48 N32 P40 S16 -","4","1","","Chu, Anlea; Hau, Franky Ka-Wah; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Decanuclear Gold(I) Sulfido Pseudopolymorphs Displaying Stimuli-Responsive RGBY Luminescence Changes","ACS Materials Letters","2019","1","2","277","","10.1021/acsmaterialslett.9b00175","","","0.7199","synchrotron","","0.0751","0.0666","","","0.1856","0.197","","","","","","1.056","","","","has coordinates","220300","2020-10-21","18:00:00",""
"4515199","8.393608","","11.86567","","8.395668","","90","","90","","90","","836.173","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","formamidinium lead bromide","formamidinium lead(II) tribromide","","- C H5 Br3 N2 Pb -","- C H5 Br3 N2 Pb -","- C4 H20 Br12 N8 Pb4 -","4","0.5","","Mozur, Eve M.; Trowbridge, Julia C.; Maughan, Annalise E.; Gorman, Matthew J.; Brown, Craig M.; Prisk, Timothy R.; Neilson, James R.","Dynamical Phase Transitions and Cation Orientation-Dependent Photoconductivity in CH(NH2)2PbBr3","ACS Materials Letters","2019","1","2","260","","10.1021/acsmaterialslett.9b00209","","","","synchrotronx-ray","","","","","","","","","","","","","","","","","has coordinates","220301","2020-10-21","18:00:00",""
"4515200","6.03793","","6.03793","","6.03793","","90","","90","","90","","220.122","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","formamidinium lead bromide","formamidinium lead(II) tribromide","","- C H5 Br3 N2 Pb -","- C H5.0034 Br3 N2.0016 Pb -","- C H5.0034 Br3 N2.0016 Pb -","1","0.0208333","","Mozur, Eve M.; Trowbridge, Julia C.; Maughan, Annalise E.; Gorman, Matthew J.; Brown, Craig M.; Prisk, Timothy R.; Neilson, James R.","Dynamical Phase Transitions and Cation Orientation-Dependent Photoconductivity in CH(NH2)2PbBr3","ACS Materials Letters","2019","1","2","260","","10.1021/acsmaterialslett.9b00209","","","","synchrotronx-ray","","","","","","","","","","","","","","","","","has coordinates","220303","2020-10-21","18:00:00",""
"4515201","35.762","0.013","21.04","0.009","29.441","0.01","90","","94.412","0.012","90","","22087","14","130","2","130.04","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H240 Cl24 Cu61 S32 -","- C110 H240 Cl24 Cu61 S32 -","- C440 H960 Cl96 Cu244 S128 -","4","0.5","","Ghosh, Atanu; Huang, Ren-Wu; Alamer, Badriah; Abou-Hamad, Edy; Hedhili, Mohamed Nejib; Mohammed, Omar F.; Bakr, Osman M.","[Cu61(StBu)26S6Cl6H14]+: A Core‒Shell Superatom Nanocluster with a Quasi-J36 Cu19 Core and an “18-Crown-6” Metal-Sulfide-like Stabilizing Belt","ACS Materials Letters","2019","1","3","297","","10.1021/acsmaterialslett.9b00122","","","0.71073","MoKα","","0.1167","0.0616","","","0.1367","0.1539","","","","","","1.024","","","","has coordinates,has disorder","220304","2020-10-21","18:00:00",""
"4515202","34.4434","0.0018","11.1624","0.0003","19.7605","0.0009","90","","97.631","0.005","90","","7530.1","0.6","149.97","0.1","149.97","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H78 F4 N4 O2 S4 -","- C94 H78 F4 N4 O2 S4 -","- C376 H312 F16 N16 O8 S16 -","4","1","","Cai, Guilong; Wang, Wei; Zhou, Jiadong; Xiao, Yiqun; Liu, Kuan; Xie, Zengqi; Lu, Xinhui; Lian, Jiarong; Zeng, Pengju; Wang, Yiping; Zhan, Xiaowei","Comparison of Linear- and Star-Shaped Fused-Ring Electron Acceptors","ACS Materials Letters","2019","1","3","367","","10.1021/acsmaterialslett.9b00253","","x-ray","1.54184","CuKα","","0.2025","0.104","","","0.2601","0.3219","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515258","11.115","0.003","13.164","0.004","16.625","0.005","90","","94.204","0.007","90","","2426","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Al0.57 Ga0.43 N3 O4 -","- C29 H24 Al0.567 Ga0.433 N3 O4 -","- C116 H96 Al2.268 Ga1.732 N12 O16 -","4","1","","Dai, Chenghu; Wei, Zhixian; Chen, Zhen; Yan, Xueyu; Fan, Jihui; Yang, Yiying; Pang, Zhiyong; Han, Shenghao","Homogeneous Alloy-like Organic Single Crystals Based on Nonplanar 8-Hydroxyquinoline Metallic Complexes: A Novel Pathway to Supramolecular Crystals with an Arbitrarily Adjustable Stoichiometric Ratio","ACS Applied Energy Materials","2018","1","8","4367","","10.1021/acsaem.8b00996","","","0.71073","MoKα","","0.0869","0.0514","","","0.122","0.1538","","","","","","1.027","","","","has coordinates,has disorder","225425","2020-10-21","18:00:00",""
"4515259","8.3965","0.0016","9.4271","0.0019","15.415","0.003","73.805","0.005","77.853","0.005","75.274","0.005","1120.4","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","5-(3,5,6-tris(1H-tetrazol-5-yl)pyrazin-2-yl)-1H-tetrazol-4-ium hydroxonium bis(hydrogen sulfate) trihydrate","","- C8 H16 N18 O12 S2 -","- C8 H16 N18 O12 S2 -","- C16 H32 N36 O24 S4 -","2","1","","Witkowski, Tomasz G.; Sebastiao, Elena; Gabidullin, Bulat; Hu, Anguang; Zhang, Fan; Murugesu, Muralee","2,3,5,6-Tetra(1H-tetrazol-5-yl)pyrazine: A Thermally Stable Nitrogen-Rich Energetic Material","ACS Applied Energy Materials","2018","1","2","589","","10.1021/acsaem.7b00138","","","0.71073","MoKα","","0.1412","0.0529","","","0.1133","0.15","","","","","","0.985","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515260","14.614","0.011","6.058","0.004","14.036","0.01","90","","92.05","0.011","90","","1241.8","1.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-tetra(1H-tetrazol-5-yl)pyrazine bis tetrahydrofuran solvate dihydrate","","- C16 H24 N18 O4 -","- C16 H24 N18 O4 -","- C32 H48 N36 O8 -","2","0.5","","Witkowski, Tomasz G.; Sebastiao, Elena; Gabidullin, Bulat; Hu, Anguang; Zhang, Fan; Murugesu, Muralee","2,3,5,6-Tetra(1H-tetrazol-5-yl)pyrazine: A Thermally Stable Nitrogen-Rich Energetic Material","ACS Applied Energy Materials","2018","1","2","589","","10.1021/acsaem.7b00138","","","0.71073","MoKα","","0.0949","0.0618","","","0.1618","0.1828","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515261","20.4309","0.0005","7.7088","0.0002","13.2611","0.0004","90","","90","","90","","2088.59","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H15 Bi2 Cl9 N3 -","- C3 H15 Bi2 Cl9 N3 -","- C12 H60 Bi8 Cl36 N12 -","4","0.5","","Ahmad, Khursheed; Ansari, Shagufi Naz; Natarajan, Kaushik; Mobin, Shaikh M.","Design and Synthesis of 1D-Polymeric Chain Based [(CH3NH3)3Bi2Cl9]n Perovskite: A New Light Absorber Material for Lead Free Perovskite Solar Cells","ACS Applied Energy Materials","2018","1","6","2405","","10.1021/acsaem.8b00437","","","0.71073","MoKα","","0.0492","0.0445","","","0.1132","0.1177","","","","","","1.176","","","","has coordinates","225428","2020-10-21","18:00:00",""
"4515262","4.9245","0.0002","10.6166","0.0005","18.9713","0.0008","79.374","0.002","86.96","0.001","84.946","0.002","970.36","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 Co4 O14 -","- C15 H20 Co4 O14 -","- C30 H40 Co8 O28 -","2","1","","Song, Xueling; Peng, Chengdong; Fei, Honghan","Enhanced Electrocatalytic Oxygen Evolution by Exfoliation of a Metal‒Organic Framework Containing Cationic One-Dimensional [Co4(OH)2]6+ Chains","ACS Applied Energy Materials","2018","1","6","2446","","10.1021/acsaem.8b00659","","","0.71073","MoKα","","0.0752","0.0537","","","0.1333","0.1482","","","","","","1.039","","","","has coordinates","225429","2020-10-21","18:00:00",""
"4515263","10.46","0.003","25.154","0.007","15.808","0.004","90","","98.373","0.004","90","","4114.9","1.9","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Ir N5 O11 P2 -","- C38 H40 Ir N5 O11 P2 -","- C152 H160 Ir4 N20 O44 P8 -","4","1","","Kobayashi, Atsushi; Watanabe, Shuhei; Yoshida, Masaki; Kato, Masako","Importance of the Molecular Orientation of an Iridium(III)-Heteroleptic Photosensitizer Immobilized on TiO2 Nanoparticles","ACS Applied Energy Materials","2018","1","6","2882","","10.1021/acsaem.8b00538","","","0.71075","MoKα","","0.0954","0.0799","","","0.1408","0.1486","","","","","","1.196","","","","has coordinates","225430","2020-10-21","18:00:00",""
"4515264","22.777","0.008","22.777","0.008","13.338","0.005","90","","90","","120","","5993","4","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C36 H43 Mo12 N6 O41 P Zn4 -","- C36 H38 Mo12 N6 O41 P Zn4 -","- C108 H114 Mo36 N18 O123 P3 Zn12 -","3","0.5","","Cheng, Weiwei; Shen, Feng-Cui; Xue, Yun-shan; Luo, Ximing; Fang, Min; Lan, Ya-Qian; Xu, Yan","A Pair of Rare Three-Dimensional Chiral Polyoxometalate-Based Metal‒Organic Framework Enantiomers Featuring Superior Performance as the Anode of Lithium-Ion Battery","ACS Applied Energy Materials","2018","1","9","4931","","10.1021/acsaem.8b00938","","","0.71073","MoKα","","0.054","0.0463","","","0.1402","0.1463","","","","","","1.131","","","","has coordinates","225431","2020-10-21","18:00:00",""
"4515265","22.711","0.003","22.711","0.003","13.3033","0.0019","90","","90","","120","","5942.4","1.4","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C36 H43 Mo12 N6 O41 P Zn4 -","- C36 H38 Mo12 N6 O41 P Zn4 -","- C108 H114 Mo36 N18 O123 P3 Zn12 -","3","0.5","","Cheng, Weiwei; Shen, Feng-Cui; Xue, Yun-shan; Luo, Ximing; Fang, Min; Lan, Ya-Qian; Xu, Yan","A Pair of Rare Three-Dimensional Chiral Polyoxometalate-Based Metal‒Organic Framework Enantiomers Featuring Superior Performance as the Anode of Lithium-Ion Battery","ACS Applied Energy Materials","2018","1","9","4931","","10.1021/acsaem.8b00938","","","0.71073","MoKα","","0.0813","0.0566","","","0.1549","0.1697","","","","","","1.066","","","","has coordinates","225432","2020-10-21","18:00:00",""
"4515266","12.882","0.004","61.295","0.015","16.037","0.004","90","","106.93","0.004","90","","12114","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C85 H88 I10 N12 O16 Pb3 -","- C85 H88 I10 N12 O16 Pb3 -","- C340 H352 I40 N48 O64 Pb12 -","4","1","","Li, Xiaomin; Yang, Jin; Song, Ziyi; Chen, Ruiping; Ma, Lulu; Li, Haining; Jia, Jiong; Meng, Jiao; Li, Xuan; Yi, Mingdong; Sun, Xuan","Naphthalene Diimide Ammonium Directed Single-Crystalline Perovskites with “Atypical” Ambipolar Charge Transport Signatures in Two-Dimensional Limit","ACS Applied Energy Materials","2018","1","9","4467","","10.1021/acsaem.8b00988","","","0.71073","MoKα","","0.1167","0.0952","","","0.2633","0.2878","","","","","","1.042","","","","has coordinates","225433","2020-10-21","18:00:00",""
"4515267","11.8505","0.0005","12.9199","0.0006","13.3596","0.0006","90","","110.17","0.001","90","","1920.01","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 B2 F4 N4 -","- C22 H16 B2 F4 N4 -","- C88 H64 B8 F16 N16 -","4","1","","Golden, Jessica H.; Estergreen, Laura; Porter, Tyler; Tadle, Abegail C.; Sylvinson M. R., Daniel; Facendola, John W.; Kubiak, Clifford P.; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer in Boron Dipyridylmethene (DIPYR) Dimers","ACS Applied Energy Materials","2018","1","3","1083","","10.1021/acsaem.7b00214","","","0.71073","MoKα","","0.0409","0.0365","","","0.102","0.1061","","","","","","1.043","","","","has coordinates","225434","2020-10-21","18:00:00",""
"4515268","27.274","0.005","11.91","0.002","23.368","0.004","90","","115.244","0.011","90","","6866","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis_alpha_DIPYR","","","- C41 H31 B2 F4 N4 -","- C41 H31 B2 F4 N4 -","- C328 H248 B16 F32 N32 -","8","1","","Golden, Jessica H.; Estergreen, Laura; Porter, Tyler; Tadle, Abegail C.; Sylvinson M. R., Daniel; Facendola, John W.; Kubiak, Clifford P.; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer in Boron Dipyridylmethene (DIPYR) Dimers","ACS Applied Energy Materials","2018","1","3","1083","","10.1021/acsaem.7b00214","","","1.54178","CuKα","","0.163","0.1248","","","0.3071","0.3431","","","","","","1.211","","","","has coordinates","225435","2020-10-21","18:00:00",""
"4516594","4.96243","0.00019","7.6511","0.0003","12.2057","0.0005","102.765","0.003","92.376","0.002","106.291","0.003","431.17","0.03","212","","212","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O4 S2 -","- C18 H16 N2 O4 S2 -","- C18 H16 N2 O4 S2 -","1","0.5","","Yoo, Dongho; Luo, Xuyi; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi; Mei, Jianguo; Mori, Takehiko","n-Type Organic Field-Effect Transistors Based on Bisthienoisatin Derivatives","ACS Applied Electronic Materials","2019","1","5","764","","10.1021/acsaelm.9b00105","","","1.54187","CuKα","","0.0736","0.0654","","","0.151","0.1566","","","","","","0.964","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516595","33.028","0.003","5.02936","0.00018","14.9494","0.0005","90","","111.402","0.003","90","","2312","0.2","171","","171","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C96 H112 N8 O16 S8 -","4","0.5","","Yoo, Dongho; Luo, Xuyi; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi; Mei, Jianguo; Mori, Takehiko","n-Type Organic Field-Effect Transistors Based on Bisthienoisatin Derivatives","ACS Applied Electronic Materials","2019","1","5","764","","10.1021/acsaelm.9b00105","","","1.54187","CuKα","","0.0622","0.0562","","","0.1505","0.156","","","","","","1.089","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516596","31.6727","0.0007","6.81282","0.00016","15.1228","0.0004","90","","92.1448","0.0014","90","","3260.92","0.14","104","","104","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N6 O2 S2 -","- C34 H36 N6 O2 S2 -","- C136 H144 N24 O8 S8 -","4","0.5","","Yoo, Dongho; Luo, Xuyi; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi; Mei, Jianguo; Mori, Takehiko","n-Type Organic Field-Effect Transistors Based on Bisthienoisatin Derivatives","ACS Applied Electronic Materials","2019","1","5","764","","10.1021/acsaelm.9b00105","","","1.54187","CuKα","","0.1072","0.09","","","0.2693","0.3079","","","","","","1.198","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516597","9.2227","0.0003","5.1146","0.0002","29.4199","0.0012","90","","99.1713","0.0018","90","","1370.01","0.09","171","","171","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N6 O2 S2 -","- C30 H28 N6 O2 S2 -","- C60 H56 N12 O4 S4 -","2","0.5","","Yoo, Dongho; Luo, Xuyi; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi; Mei, Jianguo; Mori, Takehiko","n-Type Organic Field-Effect Transistors Based on Bisthienoisatin Derivatives","ACS Applied Electronic Materials","2019","1","5","764","","10.1021/acsaelm.9b00105","","","1.54187","CuKα","","0.2606","0.0947","","","0.1501","0.2128","","","","","","0.892","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516598","5.8402","0.0003","7.4994","0.0005","25.7131","0.0013","90","","90.815","0.002","90","","1126.07","0.11","270","","270","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N4 Pd -","- C12 H12 N4 Pd -","- C48 H48 N16 Pd4 -","4","1","","Kitamori, Toshiki; Yoo, Dongho; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko","Ambipolar Transistor Properties of Metal Complexes Derived from 1,2-Phenylenediamines","ACS Applied Electronic Materials","2019","1","8","1633","","10.1021/acsaelm.9b00344","","","1.54187","CuKα","","0.0969","0.0777","","","0.1873","0.2164","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516599","6.0153","0.0003","7.3861","0.0005","12.9529","0.0007","90","","92.641","0.003","90","","574.88","0.06","274","","274","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 F2 N4 Ni -","- C12 H10 F2 N4 Ni -","- C24 H20 F4 N8 Ni2 -","2","1","","Kitamori, Toshiki; Yoo, Dongho; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko","Ambipolar Transistor Properties of Metal Complexes Derived from 1,2-Phenylenediamines","ACS Applied Electronic Materials","2019","1","8","1633","","10.1021/acsaelm.9b00344","","","1.54187","CuKα","","0.1156","0.0742","","","0.1153","0.1371","","","","","","0.982","","","","has coordinates,has disorder","239397","2020-10-21","18:00:00",""
"4516600","6.41864","0.00014","7.70588","0.00017","12.5919","0.0003","105.965","0.0012","93.574","0.0013","98.3156","0.0012","589.07","0.02","274","","274","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F4 N4 Ni -","- C12 H8 F4 N4 Ni -","- C24 H16 F8 N8 Ni2 -","2","1","","Kitamori, Toshiki; Yoo, Dongho; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko","Ambipolar Transistor Properties of Metal Complexes Derived from 1,2-Phenylenediamines","ACS Applied Electronic Materials","2019","1","8","1633","","10.1021/acsaelm.9b00344","","","1.54187","CuKα","","0.079","0.0506","","","0.1158","0.1553","","","","","","1.164","","","","has coordinates","239397","2020-10-21","18:00:00",""
"4516654","24.5267","0.0016","18.2686","0.0012","29.5609","0.0019","90","","90","","90","","13245.3","1.5","100","2","99.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H68 N7 O15 Zn2 -","- C63 H68 N7 O15 Zn2 -","- C504 H544 N56 O120 Zn16 -","8","1","","Gupta, Mayank; Kottilil, Dileep; Tomar, Kapil; Lu, Shunbin; Vijayan, C.; Ji, Wei; Bharadwaj, Parimal K.","Two-Photon Absorption and Fluorescence in Micrometer-Sized Single Crystals of a Rhodamine B Coordinated Metal‒Organic Framework","ACS Applied Nano Materials","2018","1","10","5408","","10.1021/acsanm.8b01469","","","0.71073","MoKα","","0.1111","0.1025","","","0.2238","0.2306","","","","","","1.116","","","","has coordinates","239431","2020-10-21","18:00:00",""
"4516745","13.839","0.004","13.839","0.004","24.216","0.009","90","","90","","90","","4638","3","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C44 H60 Cl3 Co N6 O4 -","- C44 H60 Cl3 Co N6 O4 -","- C176 H240 Cl12 Co4 N24 O16 -","4","1","","Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A.","Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis.","ACS central science","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","0.71073","MoKα","","0.0501","0.0442","","","0.1171","0.122","","","","","","1.059","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516746","13.8725","0.0007","13.8725","0.0007","24.3173","0.0013","90","","90","","90","","4679.8","0.4","110","2","110","2","","","","","","","","6","P 41","P 4w","76","","","","- C44.88 H61.54 Cl3 Co N6 O3.88 -","- C44.88 H61.52 Cl3 Co N6 O3.88 -","- C179.52 H246.08 Cl12 Co4 N24 O15.52 -","4","1","","Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A.","Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis.","ACS central science","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","1.54178","CuKα","","0.051","0.0407","","","0.0841","0.0871","","","","","","1.071","","","","has coordinates,has disorder","239505","2020-10-21","18:00:00",""
"4516747","12.0877","0.0006","25.0985","0.0014","16.8235","0.0008","90","","90.887","0.003","90","","5103.4","0.5","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H146 Cl6 Co2 N12 O25 -","- C84 H146 Cl6 Co2 N12 O25 -","- C168 H292 Cl12 Co4 N24 O50 -","2","1","","Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A.","Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis.","ACS central science","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","1.54178","CuKα","","0.0807","0.0746","","","0.1791","0.183","","","","","","1.149","","","","has coordinates","239506","2020-10-21","18:00:00",""
"4516827","12.921","0.0016","11.018","0.002","8.199","0.003","90","","93.83","0.03","90","","1164.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Dy N O8 -","- C10 H6 Dy N O8 -","- C40 H24 Dy4 N4 O32 -","4","1","","Liu, Cai-Ming; Zhang, Deqing; Hao, Xiang; Zhu, Dao-Ben","Field-Induced Relaxation of Magnetization in a Three-Dimensional LnMOF with the Second Bridging Ligand Squarate.","ACS omega","2016","1","2","286","292","10.1021/acsomega.6b00083","","","0.71073","MoKα","","0.0271","0.0268","","","0.0662","0.0665","","","","","","1.175","","","","has coordinates","239571","2020-10-21","18:00:00",""
"4516828","9.2469","0.0004","10.8452","0.0004","11.8162","0.0005","102.96","0.004","104.714","0.004","107.837","0.004","1030.64","0.09","291","","291","","","","","","","","","4","P -1","-P 1","2","","2-(1-(1-cyclohexyl-1H-tetrazol-5-yl)-2,2-dimethylpropyl)-3-oxoisoindoline-4-carboxylic acid","","- C21 H27 N5 O3 -","- C21 H27 N5 O3 -","- C42 H54 N10 O6 -","2","1","","Rentería-Gómez, Angel; Islas-Jácome, Alejandro; Cruz-Jiménez, Alicia E; Manzano-Velázquez, Jessica C; Rojas-Lima, Susana; Jiménez-Halla, J Oscar C; Gámez-Montaño, Rocío","Synthesis of 2-Tetrazolylmethyl-isoindolin-1-ones via a One-Pot Ugi-Azide/(N-Acylation/<i>exo</i>-Diels-Alder)/Dehydration Process.","ACS omega","2016","1","5","943","951","10.1021/acsomega.6b00281","","x-ray","1.54184","CuKα","","0.0513","0.0416","","","0.1131","0.1231","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516829","14.4182","0.0018","6.3712","0.0008","17.213","0.002","90","","90.972","0.001","90","","1581","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N O2 S -","- C16 H16 Cl N O2 S -","- C64 H64 Cl4 N4 O8 S4 -","4","1","","He, Xinwei; Zhou, Yao; Shang, Yongjia; Yang, Cheng; Zuo, Youpeng","Synthesis of 2-Arylimino-6,7-dihydrobenzo[<i>d</i>][1,3]oxathiol-4(5<i>H</i>)-ones via Rh<sub>2</sub>(OAc)<sub>4</sub>-Catalyzed Reactions of Cyclic 2-Diazo-1,3-diketones with Aryl Isothiocyanates.","ACS omega","2016","1","6","1277","1283","10.1021/acsomega.6b00295","","","0.71073","MoKα","","0.0445","0.0372","","","0.1013","0.1073","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517002","31.769","0.0009","8.9771","0.0002","32.5469","0.001","90","","110.34","0.003","90","","8703.4","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C173 H226 Cu4 N12 O31 -","- C173 H226 Cu4 N12 O31 -","- C346 H452 Cu8 N24 O62 -","2","0.5","","Dey, Gourab; Venkateswarulu, Mangili; Vivekananthan, Venkateswaran; Pramanik, Avijit; Krishnan, Venkata; Koner, Rik Rani","Sub-Picomolar Recognition of Cr3+ through Bioinspired Organic‒Inorganic Ensemble Utilization","ACS Sensors","2016","1","6","663","","10.1021/acssensors.6b00046","","","1.54184","CuKα","","0.098","0.091","","","0.3327","0.3408","","","","","","1.093","","","","has coordinates","239684","2020-10-21","18:00:00",""
"4517140","8.252","0.005","8.511","0.005","11.23","0.007","92.512","0.004","110.205","0.008","113.719","0.004","662.1","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","'(E)-2-((4-(dimethylamino)phenyl)diazenyl)benzoic acid'","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C30 H30 N6 O4 -","2","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0598","0.0473","","","","0.1392","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517141","10.529","0.004","17.052","0.006","8.348","0.003","90","","92.743","0.004","90","","1497.1","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'(E)-2-((4-(diethylamino)phenyl)diazenyl)benzoic acid'","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0644","0.0536","","","","0.1345","","","","","","1.096","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517142","10.214","0.006","13.482","0.008","12.661","0.007","90","","98.953","0.001","90","","1722.2","1.7","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'(E)-2-((4-(dipropylamino)phenyl)diazenyl)benzoic acid'","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0932","0.069","","","","0.1487","","","","","","1.124","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517143","16.072","0.004","7.325","0.0019","14.97","0.004","90","","91.207","0.004","90","","1762","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'(E)-4-((4-(dimethylamino)phenyl)diazenyl)benzoic acid pyridine solvate'","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C80 H80 N16 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.064","0.0591","","","","0.1586","","","","","","1.096","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517144","12.241","0.005","8.264","0.003","15.473","0.006","90","","100.65","0.005","90","","1538.3","1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'(E)-4-((4-(diethylamino)phenyl)diazenyl)benzoic acid'","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.074","0.063","","","","0.1668","","","","","","1.063","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517145","7.921","0.005","14.169","0.01","14.875","0.011","110.092","0.008","103.584","0.009","90.916","0.005","1515.4","1.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","'(E)-4-((4-(diethylamino)phenyl)diazenyl)benzoic acid'","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","2","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0816","0.0686","","","","0.1818","","","","","","1.085","","","","has coordinates","301843","2025-08-21","01:58:47",""
"5900000","5.89","","5.89","","5.89","","90","","90","","90","","204.34","","","","93","","","","","","","","","2","F m -3 m","","225","","Methane","","- C H4 -","- C H4 -","- C4 H16 -","4","0.0208333","","","","Strukturbericht","","1","","613","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"6000230","7.6733","0.0004","9.6398","0.0005","7.0852","0.0003","90","","106.195","","90","","503.29","0.04","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H17 Co N6 O7 -","- C Co N6 O7 -","- C2 Co2 N12 O14 -","2","1","","Zhu, J. H.; Wu, H. X.; Le Bail, A.","Structure of [Co(NH3)(5)CO3]NO3·H2O","Solid State Sciences","1999","1","","55","62","10.1016/S1293-2558(00)80064-3","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.053","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000782","8.88","","6.8983","","4.8082","","90","","90","","90","","294.54","","","","","","","","","","","","","3","P n m a","","","","","","- In O4 P -","","","","","","Peltier, V.; Deniard, P.; Brec, R.; Marchand, R.","Synthesis and structure of a new variety of indium phosphate beta-InPO4.","Comptes Rendus de l'Academie des Sciences, Serie IIc: Chimie","1998","1","","57","62","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7113086","9.064","0.003","14.5","0.003","12.384","0.003","90","","99.57","0.01","90","","1605","0.7","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","avs-0288","","","- C16 H10 Cl F3 N4 O2 -","- C16 H10 Cl F3 N4 O2 -","- C64 H40 Cl4 F12 N16 O8 -","4","1","","Shin, Dae-Seop; Masciocchi, Daniela; Gelain, Arianna; Villa, Stefania; Barlocco, Daniela; Meneghetti, Fiorella; Pedretti, Alessandro; Han, Young-Min; Han, Dong Cho; Kwon, Byoung-Mog; Legnani, Laura; Toma, Lucio","Synthesis, modeling, and crystallographic study of 3,4-disubstituted-1,2,5-oxadiazoles and evaluation of their ability to decrease STAT3 activity","MedChemComm","2010","1","2","156","","10.1039/c0md00057d","","","0.71073","MoKα","","0.1771","0.0493","","","0.123","","","","","","","0.972","","","","has coordinates","301857","2025-08-21","22:47:19",""
"7113087","6.619","0.002","20.54","0.003","8.364","0.005","90","","103.72","0.03","90","","1104.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","md30","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","","Shin, Dae-Seop; Masciocchi, Daniela; Gelain, Arianna; Villa, Stefania; Barlocco, Daniela; Meneghetti, Fiorella; Pedretti, Alessandro; Han, Young-Min; Han, Dong Cho; Kwon, Byoung-Mog; Legnani, Laura; Toma, Lucio","Synthesis, modeling, and crystallographic study of 3,4-disubstituted-1,2,5-oxadiazoles and evaluation of their ability to decrease STAT3 activity","MedChemComm","2010","1","2","156","","10.1039/c0md00057d","","","0.71073","MoKα","","0.0885","0.0637","","","0.1816","0.1571","","","","","","1.058","","","","has coordinates","301857","2025-08-21","22:47:19",""
"7113088","5.589","0.002","10.096","0.002","10.981","0.002","70.085","0.009","86.169","0.009","74.027","0.009","559.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","md34","","","- C10 H11 N3 O3 S -","- C9.85 H9.75 N2.93 O2.91 S0.94 -","- C19.7 H19.5 N5.86 O5.82 S1.88 -","2","1","","Shin, Dae-Seop; Masciocchi, Daniela; Gelain, Arianna; Villa, Stefania; Barlocco, Daniela; Meneghetti, Fiorella; Pedretti, Alessandro; Han, Young-Min; Han, Dong Cho; Kwon, Byoung-Mog; Legnani, Laura; Toma, Lucio","Synthesis, modeling, and crystallographic study of 3,4-disubstituted-1,2,5-oxadiazoles and evaluation of their ability to decrease STAT3 activity","MedChemComm","2010","1","2","156","","10.1039/c0md00057d","","","0.71073","MoKα","","0.1945","0.0542","","","0.13","0.1784","","","","","","0.944","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113089","5.8601","0.0009","31.829","0.004","40.783","0.004","90","","90","","90","","7606.9","1.7","200","","200","","","","","","","","synthesized","3","F 2 d d","F -2d 2","43","","1-[diphenyl-methylidenyl] -[3]ferrocenophane","","- C26 H22 Fe -","- C26 H22 Fe -","- C416 H352 Fe16 -","16","1","","Görmen, Meral; Pigeon, Pascal; Top, Siden; Vessières, Anne; Plamont, Marie-Aude; Hillard, Elizabeth A.; Jaouen, Gérard","Facile synthesis and strong antiproliferative activity of disubstituted diphenylmethylidenyl-[3]ferrocenophanes on breast and prostate cancer cell lines","MedChemComm","2010","1","2","149","","10.1039/c0md00026d","","","0.71073","MoKα","","0.0613","0.0374","","0.0736","0.0655","0.0736","","","","","","0.9642","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7113090","5.8841","0.0007","19.872","0.002","11.1212","0.0017","90","","95.141","0.01","90","","1295.2","0.3","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-[(4-N-acetamidophenyl)-(4-hydroxyphenyl) -methylidenyl]-[3]ferrocenophane","","- C30 H28 Fe N2 O2 -","- C30 H28 Fe N2 O2 -","- C60 H56 Fe2 N4 O4 -","2","1","","Görmen, Meral; Pigeon, Pascal; Top, Siden; Vessières, Anne; Plamont, Marie-Aude; Hillard, Elizabeth A.; Jaouen, Gérard","Facile synthesis and strong antiproliferative activity of disubstituted diphenylmethylidenyl-[3]ferrocenophanes on breast and prostate cancer cell lines","MedChemComm","2010","1","2","149","","10.1039/c0md00026d","","","0.71073","MoKα","","0.0606","0.0393","","0.1068","0.0696","0.0756","","","","","","0.9341","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113091","8.384","0.002","16.984","0.003","12.48","0.003","90","","104.14","0.02","90","","1723.2","0.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","BW202W92 R-enantiomer","","","- C12 H12 Cl3 F N4 O3 S -","- C12 H12 Cl3 F N4 O3 S -","- C48 H48 Cl12 F4 N16 O12 S4 -","4","2","","Palmer, Rex A.; Potter, Brian S.; Leach, Michael J.; Jenkins, Terence C.; Chowdhry, Babur Z.","An absolute structure template for a unique voltage-gated sodium channel binding site","MedChemComm","2010","1","1","45","","10.1039/c0md00043d","","","1.54178","CuKα","","0.0642","0.0488","","","0.1245","0.1316","","","","","","1.043","","","","has coordinates","301857","2025-08-21","22:47:19",""
"7113092","7.716","0.002","8.12","0.002","13.719","0.003","74.91","0.03","87.69","0.03","89.83","0.03","829.2","0.4","123","2","123","2","","","","","","","","7","P 1","P 1","1","BW203W92 S-enantiomer","","","- C12 H12 Cl3 F N4 O3 S -","- C12 H12 Cl3 F N4 O3 S -","- C24 H24 Cl6 F2 N8 O6 S2 -","2","2","","Palmer, Rex A.; Potter, Brian S.; Leach, Michael J.; Jenkins, Terence C.; Chowdhry, Babur Z.","An absolute structure template for a unique voltage-gated sodium channel binding site","MedChemComm","2010","1","1","45","","10.1039/c0md00043d","","","0.71073","MoKα","","0.1245","0.0611","","","0.1197","0.1461","","","","","","0.936","","","","has coordinates","301857","2025-08-21","22:47:19",""
"7150447","17.511","0.005","14.597","0.003","22.804","0.005","90","","111.552","0.003","90","","5421","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 O4 S2 -","- C60.004 H72 O4 S2 -","- C240.016 H288 O16 S8 -","4","1","","Zeng, Xianshun; Sun, Hao; Chen, Langxing; Leng, Xuebing; Xu, Fengbo; Li, Qinshan; He, Xiwen; Zhang, Wenqin; Zhang, Zheng-Zhi","Synthesis of a tweezer-like bis(arylthiaalkoxy)calix[4]arene as a cation sensor for ion-selective electrodes: an investigation of the influence of neighboring halogen atoms on cation selectivity","Organic & Biomolecular Chemistry","2003","1","6","1073","1079","10.1039/b211381c","","","0.71073","MoKα","","0.1864","0.0842","","","0.2423","0.3205","","","","","","1.013","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150448","8.134","0.001","7.111","0.0008","12.699","0.002","90","","100.87","0.01","90","","721.34","0.17","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","octafluoro-1,2-dimethylenecyclobutane","","- C6 F8 -","- C6 F8 -","- C24 F32 -","4","1","","Lentz, Dieter; Patzschke, Mona; Bach, Ansgar; Scheins, Stephan; Luger, Peter","Experimental charge density of octafluoro-1,2-dimethylenecyclobutane: atomic volumes and charges in a perfluorinated hydrocarbon","Organic & Biomolecular Chemistry","2003","1","2","409","414","10.1039/b208704a","","","0.7107","MoKα","","","0.031","","","","0.041","","","","","","2.52","","","","has coordinates","274637","2022-04-22","16:02:08",""
"7150449","11.1034","0.0011","11.9818","0.0014","9.9624","0.0012","90","","109.214","0.008","90","","1251.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 N2 O4 S -","- C27 H32 N2 O4 S -","- C54 H64 N4 O8 S2 -","2","1","","Miyabe, Hideto; Fujii, Kayoko; Naito, Takeaki","Radical addition to oxime ethers for asymmetric synthesis of β-amino acid derivatives","Organic & Biomolecular Chemistry","2003","1","2","381","","10.1039/b208823a","","","0.71069","MoKα","","0.0377","0.0297","","","0.0971","0.1054","","","","","","0.902","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150450","12.2395","0.0015","20.5642","0.0014","10.904","0.0016","90","","94.209","0.011","90","","2737.1","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O4 S -","- C29 H38 N2 O4 S -","- C116 H152 N8 O16 S4 -","4","2","","Miyabe, Hideto; Fujii, Kayoko; Naito, Takeaki","Radical addition to oxime ethers for asymmetric synthesis of β-amino acid derivatives","Organic & Biomolecular Chemistry","2003","1","2","381","","10.1039/b208823a","","","1.54178","CuKα","","0.0507","0.0416","","","0.1229","0.1305","","","","","","0.97","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150451","7.688","0.0002","13.2934","0.0003","31.112","0.0009","90","","90","","90","","3179.64","0.14","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 N8 O7 -","- C32 H28 N8 O7 -","- C128 H112 N32 O28 -","4","1","","Rosenbohm, Christoph; Christensen, Signe M.; Sørensen, Mads D.; Pedersen, Daniel Sejer; Larsen, Lotte-Emilie; Wengel, Jesper; Koch, Troels","Synthesis of 2'-amino-LNA: a new strategyElectronic supplementary information (ESI) available: further experimental details and the structure of compound S11 (.pdb file). See http://www.rsc.org/suppdata/ob/b2/b208864a/","Organic & Biomolecular Chemistry","2003","1","4","655","","10.1039/b208864a","","","0.71073","MoKα","","0.056","0.0427","","","0.0892","0.0964","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150452","12.677","0.0002","12.7397","0.0002","13.0974","0.0002","102.147","0.001","95.218","0.001","91.166","0.001","2057.62","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Compound X","","","- C18 H34 O5 Si -","- C18 H34 O5 Si -","- C72 H136 O20 Si4 -","4","2","","Johnston, Derek; Couché, Emmanuel; Edmonds, David J.; Muir, Kenneth W.; Procter, David J.","The first synthetic studies on pestalotiopsin A. A stereocontrolled approach to the functionalised bicyclic coreElectronic supplementary information (ESI) available: crystal structure analysis of 18a. See http://www.rsc.org/suppdata/ob/b2/b209066j/","Organic & Biomolecular Chemistry","2003","1","2","328","","10.1039/b209066j","","","0.71073","MoKα","","0.0492","0.0374","","","0.0871","0.0939","","","","","","1.04","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150453","12.368","0.003","17.711","0.004","21.575","0.004","90","","92.382","0.004","90","","4721.9","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S)-2-((1R,8aR)-8a-methyl-1,2,3,4,6,7,8,8a-octahydro-1-naphthyl)propyl N-((1S)-1-(1-naphthyl)ethyl)carbamate","","- C27 H35 N O2 -","- C27 H35 N O2 -","- C216 H280 N8 O16 -","8","4","","Chen, Yong-Jun; Gao, Ling-Jie; Murad, Ibrahim; Verstuyf, Annemieke; Verlinden, Lieve; Verboven, Christel; Bouillon, Roger; Viterbo, Davide; Milanesio, Marco; Van Haver, Dirk; Vandewalle, Maurits; De Clercq, Pierre J.","Synthesis, biological activity, and conformational analysis of CD-ring modified trans-decalin 1α,25-dihydroxyvitamin D analogsElectronic supplementary information (ESI) available: Further experimental details. See http://www.rsc.org/suppdata/ob/b2/b209147j/","Organic & Biomolecular Chemistry","2003","1","2","257","","10.1039/b209147j","","","0.71073","MoKα","","0.0865","0.042","","","0.0867","0.112","","","","","","0.933","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150454","6.1182","0.0003","6.6921","0.0004","10.181","0.0005","90","","94.019","0.003","90","","415.82","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Compound X","","","- C9 H14 O2 -","- C9 H14 O2 -","- C18 H28 O4 -","2","1","","Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar","Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols","Org. Biomol. Chem.","2003","1","4","700","704","10.1039/b209427d","","","0.71073","MoKα","","0.0541","0.0425","","","0.0878","0.0929","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150455","5.9714","0.0001","20.5466","0.0005","22.5632","0.0006","90","","90","","90","","2768.32","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Compound X","","","- C10 H16 O -","- C10 H16 O -","- C120 H192 O12 -","12","3","","Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar","Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols","Org. Biomol. Chem.","2003","1","4","700","704","10.1039/b209427d","","","0.71073","MoKα","","0.0671","0.0508","","","0.0996","0.1081","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150456","10.7633","0.0001","10.7633","0.0001","31.3398","0.0005","90","","90","","90","","3630.67","0.08","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","Compound X","","","- C10 H16 O -","- C10 H16 O -","- C160 H256 O16 -","16","2","","Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar","Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols","Org. Biomol. Chem.","2003","1","4","700","704","10.1039/b209427d","","","0.71073","MoKα","","0.0606","0.0482","","","0.1244","0.132","","","","","","1.046","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150457","14.587","0.0002","7","0.0001","27.868","0.0004","90","","105.047","0.0011","90","","2748.01","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 B20 N6 O4 -","- C48 H48 B20 N6 O4 -","- C96 H96 B40 N12 O8 -","2","0.5","","Frixa, Christophe; Mahon, Mary F.; Thompson, Andrew S.; Threadgill, Michael D.","Synthesis of meso-substituted porphyrins carrying carboranes and oligo(ethylene glycol) units for potential applications in boron neutron capture therapyElectronic supplementary information (ESI) available: experimental details for the synthesis of compounds 12‒15, 31 and 32. See http://www.rsc.org/suppdata/ob/b2/b209534c/","Organic & Biomolecular Chemistry","2003","1","2","306","","10.1039/b209534c","","","0.71073","MoKα","","0.1002","0.0757","","","0.2287","0.249","","","","","","1.019","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150458","9.8532","0.0007","6.9944","0.0005","14.504","0.001","90","","105.737","0.003","90","","962.11","0.12","233","2","233","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H23 B F4 O -","- C22 H23 B F4 O -","- C44 H46 B2 F8 O2 -","2","0.5","","Laus, Gerhard; Schottenberger, Herwig; Wurst, Klaus; Schütz, Johannes; Ongania, Karl-Hans; Horvath, Ulrike Erika Ida; Schwärzler, Alexander","Solvatochromism, halochromism, and preferential solvation of new dipolar guaiazulenyl 1,4-benzoquinone methidesElectronic supplementary information (ESI) available: Absorption maxima of the dyes 6‒10 in seven binary solvent mixtures. See http://www.rsc.org/suppdata/ob/b2/b209555f/","Organic & Biomolecular Chemistry","2003","1","8","1409","","10.1039/b209555f","","","0.71073","MoKα","","0.0595","0.0423","","","0.0995","0.107","","","","","","1.048","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150459","14.324","0.0009","12.5501","0.0007","14.623","0.001","90","","100","0.003","90","","2588.8","0.3","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 O -","- C30 H38 O -","- C120 H152 O4 -","4","1","","Laus, Gerhard; Schottenberger, Herwig; Wurst, Klaus; Schütz, Johannes; Ongania, Karl-Hans; Horvath, Ulrike Erika Ida; Schwärzler, Alexander","Solvatochromism, halochromism, and preferential solvation of new dipolar guaiazulenyl 1,4-benzoquinone methidesElectronic supplementary information (ESI) available: Absorption maxima of the dyes 6‒10 in seven binary solvent mixtures. See http://www.rsc.org/suppdata/ob/b2/b209555f/","Organic & Biomolecular Chemistry","2003","1","8","1409","","10.1039/b209555f","","","0.71073","MoKα","","0.0665","0.0505","","","0.1306","0.141","","","","","","1.028","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7150460","11.1081","0.0003","12.6796","0.0004","11.6659","0.0004","90","","101.259","0.0013","90","","1611.48","0.09","200","","","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Banwell, Martin G.; Edwards, Alison J.; Jolliffe, Katrina A.; Smith, Jason A.; Hamel, Ernest; Verdier-Pinard, Pascal","Total synthesis of (±)-rhazinal, an alkaloidal spindle toxin from Kopsia teoi","Organic & Biomolecular Chemistry","2003","1","2","296","","10.1039/b209992f","","","0.71073","MoKα","","","0.0973","","","","0.0854","","","","","","0.8346","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150461","9.3201","0.0004","12.5782","0.0004","17.9679","0.0004","90","","90","","90","","2106.38","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O7 -","- C22 H23 N O7 -","- C88 H92 N4 O28 -","4","1","","Anat Reizelman; Suzanne C. M. Wigchert; Cinzia del-Bianco; Binne Zwanenburg","Synthesis and bioactivity of labelled germination stimulants for the isolation and identification of the strigolactone receptor","Org. Biomol. Chem.","2003","1","6","950","959","10.1039/b210678g","","","1.54184","CuKα","","0.0484","0.0397","","0.1169","0.1094","0.1169","","","1.048","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150462","32.285","0.002","11.8982","0.0006","19.8475","0.0011","90","","90","","90","","7624.1","0.7","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H21 N5 O6 -","- C30 H21 N5 O6 -","- C360 H252 N60 O72 -","12","1.5","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Nitrophenyl derivatives of pyrrole 2,5-diamides: structural behaviour, anion binding and colour change signalled deprotonationElectronic supplementary information (ESI) available: 1H NMR, 13C NMR and mass spectra for compounds 2 and 3, NMR anion titration profiles in DMSO-d6‒0.5% water. See http://www.rsc.org/suppdata/ob/b2/b210848h/","Organic & Biomolecular Chemistry","2003","1","4","741","","10.1039/b210848h","","","0.71073","MoKα","","0.3726","0.0941","","","0.1043","0.1634","","","","","","0.958","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150463","11.0659","0.0002","12.04","0.0002","15.9608","0.0004","84.462","0.001","81.333","0.001","64.306","0.001","1893.21","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N5 O9 S3 -","- C36 H36 N5 O9 S3 -","- C72 H72 N10 O18 S6 -","2","1","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Nitrophenyl derivatives of pyrrole 2,5-diamides: structural behaviour, anion binding and colour change signalled deprotonationElectronic supplementary information (ESI) available: 1H NMR, 13C NMR and mass spectra for compounds 2 and 3, NMR anion titration profiles in DMSO-d6‒0.5% water. See http://www.rsc.org/suppdata/ob/b2/b210848h/","Organic & Biomolecular Chemistry","2003","1","4","741","","10.1039/b210848h","","","0.71073","MoKα","","0.0675","0.0452","","","0.1118","0.1222","","","","","","1.022","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150464","8.608","0.005","15.212","0.005","15.257","0.005","67.786","0.005","84.475","0.005","73.886","0.005","1776.8","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 N7 O12 S2 -","- C34 H31 N7 O12 S2 -","- C68 H62 N14 O24 S4 -","2","1","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Nitrophenyl derivatives of pyrrole 2,5-diamides: structural behaviour, anion binding and colour change signalled deprotonationElectronic supplementary information (ESI) available: 1H NMR, 13C NMR and mass spectra for compounds 2 and 3, NMR anion titration profiles in DMSO-d6‒0.5% water. See http://www.rsc.org/suppdata/ob/b2/b210848h/","Organic & Biomolecular Chemistry","2003","1","4","741","","10.1039/b210848h","","","0.71069","MoKα","","0.1424","0.0559","","","0.0998","0.1242","","","","","","0.909","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150465","20.3034","0.0011","10.1636","0.0005","13.457","0.0006","90","","104.057","0.002","90","","2693.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 N7 O10 -","- C30 H19 N7 O10 -","- C120 H76 N28 O40 -","4","1","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Nitrophenyl derivatives of pyrrole 2,5-diamides: structural behaviour, anion binding and colour change signalled deprotonationElectronic supplementary information (ESI) available: 1H NMR, 13C NMR and mass spectra for compounds 2 and 3, NMR anion titration profiles in DMSO-d6‒0.5% water. See http://www.rsc.org/suppdata/ob/b2/b210848h/","Organic & Biomolecular Chemistry","2003","1","4","741","","10.1039/b210848h","","","0.71073","MoKα","","0.1256","0.055","","","0.1074","0.1308","","","","","","0.928","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150466","13.408","0.005","15.847","0.005","17.023","0.005","73.042","0.005","74.733","0.005","68.046","0.005","3159.9","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H90 Cl N9 O10 -","- C62 H90 Cl N9 O10 -","- C124 H180 Cl2 N18 O20 -","2","1","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Nitrophenyl derivatives of pyrrole 2,5-diamides: structural behaviour, anion binding and colour change signalled deprotonationElectronic supplementary information (ESI) available: 1H NMR, 13C NMR and mass spectra for compounds 2 and 3, NMR anion titration profiles in DMSO-d6‒0.5% water. See http://www.rsc.org/suppdata/ob/b2/b210848h/","Organic & Biomolecular Chemistry","2003","1","4","741","","10.1039/b210848h","","","0.71069","MoKα","","0.4834","0.133","","","0.1941","0.2967","","","","","","0.83","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150467","10.516","0.004","18.569","0.006","8.832","0.004","90","","100.21","0.04","90","","1697.3","1.2","122","0.5","122","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1","4,6-bis(phenylseleno)-3-methoxyphenol","","- C19 H16 O2 Se2 -","- C19 H16 O2 Se2 -","- C76 H64 O8 Se8 -","4","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","Cu-Ka","","0.0325","0.0307","","","0.0787","0.0804","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150468","7.2242","0.0015","7.9556","0.0011","11.007","0.002","83.594","0.014","73.236","0.016","86","0.014","601.47","0.19","122","0.5","122","0.5","","","","","","","","4","P -1","-P 1","2","2","2,3-dimethyl-4-(phenylseleno)phenol","","- C14 H14 O Se -","- C14 H14 O Se -","- C28 H28 O2 Se2 -","2","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.025","0.0247","","","0.0677","0.0678","","","","","","1.134","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150469","15.0339","0.0015","5.642","0.0007","18.9279","0.0013","90","","101.673","0.007","90","","1572.3","0.3","122","0.5","122","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3","4,6-bis(phenylseleno)benzene-1,3-diol","","- C18 H14 O2 Se2 -","- C18 H14 O2 Se2 -","- C72 H56 O8 Se8 -","4","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0302","0.0301","","","0.0837","0.0838","","","","","","1.224","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150470","8.5958","0.0017","11.37","0.003","12.388","0.003","116.25","0.02","100.28","0.017","104.48","0.02","991.4","0.5","122","0.5","122","0.5","","","","","","","","4","P -1","-P 1","2","4","1,2-diethoxy-4,5-bis(phenylseleno)benzene","","- C22 H22 O2 Se2 -","- C22 H22 O2 Se2 -","- C44 H44 O4 Se4 -","2","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0355","0.0349","","","0.0863","0.0867","","","","","","1.094","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150471","7.1618","0.001","15.132","0.0019","8.2912","0.001","90","","103.609","0.011","90","","873.3","0.2","122","0.5","122","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5","1,4-dimethoxy-2,5-bis(phenylseleno)benzene","","- C20 H18 O2 Se2 -","- C20 H18 O2 Se2 -","- C40 H36 O4 Se4 -","2","0.5","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0352","0.0346","","","0.0958","0.0965","","","","","","1.104","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150472","7.2789","0.0007","9.4958","0.0008","19.043","0.003","90","","97.047","0.011","90","","1306.3","0.3","122","0.5","122","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6","1-methoxy-3,5-dimethyl-4-(phenylseleno)benzene","","- C15 H16 O Se -","- C15 H16 O Se -","- C60 H64 O4 Se4 -","4","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0262","0.0257","","","0.0692","0.0697","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150473","8.7061","0.0011","10.3054","0.0008","11.8008","0.0013","92.369","0.008","90.07","0.01","94.027","0.009","1055.2","0.2","122","0.5","122","0.5","","","","","","","","4","P -1","-P 1","2","7","4-(phenylseleno)benzene-1,3-diol","","- C12 H10 O2 Se -","- C12 H10 O2 Se -","- C48 H40 O8 Se4 -","4","2","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0292","0.0292","","","0.0782","0.0783","","","","","","1.115","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150474","14.991","0.002","9.9673","0.0018","15.93","0.002","90","","90","","90","","2380.3","0.6","122","0.5","122","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","8","1-methoxy-4-methyl-2-(phenylseleno)benzene","","- C14 H14 O Se -","- C14 H14 O Se -","- C112 H112 O8 Se8 -","8","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0266","0.0262","","","0.0724","0.0727","","","","","","1.153","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150475","9.0416","0.0012","7.8911","0.001","17.6103","0.0018","90","","102.406","0.01","90","","1227.1","0.3","122","0.5","122","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9","2,5-dimethyl-4-(phenylseleno)phenol","","- C14 H14 O Se -","- C14 H14 O Se -","- C56 H56 O4 Se4 -","4","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","0.71073","MoKα","","0.0268","0.0265","","","0.0758","0.076","","","","","","1.1","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150476","7.917","0.002","19.736","0.005","21.32","0.005","90","","90","","90","","3331.2","1.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Crystal 7 ((R)-1/4)","(R)-alpha-[[(1,1-dimethylethyl)amino]methyl]-3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate hydrate","","- C32 H39 N O12 -","- C32 H39 N O12 -","- C128 H156 N4 O48 -","4","1","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.152","0.0495","","","0.0759","0.0973","","","","","","0.796","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150477","7.512","0.001","18.733","0.004","11.599","0.002","90","","103.1","0.01","90","","1589.8","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Crystal 6((S)-1/4)","(S)-alpha-[[(1,1-dimethylethyl)amino]methyl]-3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate","","- C32 H37 N O11 -","- C12.8 H14.8 N0.4 O4.4 -","- C64 H74 N2 O22 -","5","2.5","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.0579","0.0418","","","0.1003","0.1066","","","","","","0.944","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150478","7.506","0.001","18.714","0.003","11.59","0.002","90","","103.03","0.01","90","","1586.1","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Crystal 5((S)-1/4)","(S)-alpha-[[(1,1-dimethylethyl)amino]methyl]-3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate","","- C32 H37 N O11 -","- C32 H37 N O11 -","- C64 H74 N2 O22 -","2","1","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.0676","0.045","","","0.1061","0.1151","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150479","7.81","0.001","21.431","0.004","21.948","0.003","90","","90","","90","","3673.6","1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Crystal 8 ((R)-1/4)","Inclusion complex of (R)-alpha-[[(1,1-dimethylethyl)amino]methyl]- 3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate hydrate and acetone","","- C35 H45 N O13 -","- C35 H45 N O13 -","- C140 H180 N4 O52 -","4","1","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.0912","0.0464","","","0.099","0.1124","","","","","","0.862","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150480","6.4904","0.0004","16.785","0.0011","8.2216","0.0005","90","","102.454","0.001","90","","874.6","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Ethoxyl-3,5-dinitropyridine","","- C7 H7 N3 O5 -","- C7 H7 N3 O5 -","- C28 H28 N12 O20 -","4","1","","Crampton, Michael R.; Emokpae, Thomas A.; Howard, Judith A. K.; Isanbor, Chukwuemeka; Mondal, Raju","Kinetic and equilibrium studies of σ-adduct formation and nucleophilic substitution in the reactions of 2-phenoxy-3,5-dinitropyridine and 2-ethoxy-3,5-dinitropyridine with aliphatic amines in dipolar aprotic solventsElectronic supplementary information (ESI) available: Tables 10‒15. See http://www.rsc.org/suppdata/ob/b2/b211639c/","Organic & Biomolecular Chemistry","2003","1","6","1004","","10.1039/b211639c","","","0.71073","MoKα","","0.0465","0.0378","","","0.0959","0.101","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150481","5.9847","0.0012","7.3833","0.0015","12.375","0.003","94.29","0.03","95.28","0.03","91.8","0.03","542.6","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","NPIP","2-Piperidine-3,5-dinitropyridine","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C20 H24 N8 O8 -","2","1","","Crampton, Michael R.; Emokpae, Thomas A.; Howard, Judith A. K.; Isanbor, Chukwuemeka; Mondal, Raju","Kinetic and equilibrium studies of σ-adduct formation and nucleophilic substitution in the reactions of 2-phenoxy-3,5-dinitropyridine and 2-ethoxy-3,5-dinitropyridine with aliphatic amines in dipolar aprotic solventsElectronic supplementary information (ESI) available: Tables 10‒15. See http://www.rsc.org/suppdata/ob/b2/b211639c/","Organic & Biomolecular Chemistry","2003","1","6","1004","","10.1039/b211639c","","","0.71073","MoKα","","0.0361","0.0332","","","0.0935","0.0963","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150482","9.1922","0.0011","7.1341","0.0011","31.75","0.004","90","","90","","90","","2082.1","0.5","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene 1,3-benzenedicarboxylic acid","","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","- C96 H80 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0701","0.0666","","","0.1534","0.1577","","","","","","1.17","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150483","35.743","0.007","9.285","0.002","7.338","0.001","90","","90","","90","","2435.3","0.8","100","2","100","2","","","","","","","","4","A m a 2","A 2 -2a","40","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene 4,4'-oxybisbenzoic acid","","- C30 H24 N4 O5 -","- C30 H24 N4 O5 -","- C120 H96 N16 O20 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.055","0.0371","","","0.0788","0.0836","","","","","","0.985","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150484","7.281","0.003","24.097","0.006","8.919","0.003","90","","90","","90","","1564.8","0.9","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene oxalic acid","","- C18 H16 N4 O4 -","- C18 H16 N4 O4 -","- C72 H64 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","1.54178","CuKα","","0.0853","0.0352","","","0.0785","0.0853","","","","","","0.988","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150485","5.492","0.001","34.585","0.002","6.318","0.001","90","","102.81","0.01","90","","1170.2","0.3","130","2","130","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene sebacic acid","","- C26 H32 N4 O4 -","- C26 H32 N4 O4 -","- C52 H64 N8 O8 -","2","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0811","0.0561","","","0.1135","0.1293","","","","","","1.122","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150486","7.251","0.004","24.325","0.005","9.185","0.003","90","","90","","90","","1620.1","1.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene squaric acid","","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","- C80 H64 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.1333","0.0838","","","0.1717","0.2047","","","","","","1.132","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150487","5.7015","0.0005","26.821","0.003","6.1015","0.0006","90","","104.708","0.008","90","","902.47","0.16","294","2","294","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene succinic acid","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C40 H40 N8 O8 -","2","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","1.54178","CuKα","","0.0453","0.0372","","","0.1011","0.1064","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150488","10.268","0.002","15.529","0.003","11.158","0.002","90","","105.47","0.03","90","","1714.7","0.6","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene 1,4-benzeneicarboxylic acid 2:1","","- C20 H17 N4 O2 -","- C20 H17 N4 O2 -","- C80 H68 N16 O8 -","4","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.05","0.0406","","","0.1168","0.1235","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150489","9.117","0.002","14.433","0.004","19.312","0.006","90","","90","","90","","2541.2","1.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N,N'-bis(2-pyridyl)-1,4-diaminobenzene 2,2'-biphenyldicarboxylic acid co-crystal","","- C30 H24 N4 O4 -","- C30 H24 N4 O4 -","- C120 H96 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.1369","0.0398","","","0.0977","0.1129","","","","","","0.981","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150490","17.29","0.002","4.0427","0.0005","24.72","0.003","90","","93.121","0.011","90","","1725.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(2-pyridyl)-1,4-diaminobenzene malonic acid co-crystal","","- C19 H18 N4 O4 -","- C19 H18 N4 O4 -","- C76 H72 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","1.54178","CuKα","","0.0657","0.0345","","","0.0871","0.0986","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150491","8.4312","0.0009","10.1438","0.0012","15.0064","0.0015","85.842","0.009","73.025","0.009","78.006","0.009","1200.6","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-1,4-diaminobenzene sebacic acid","","- C26 H32 N4 O4 -","- C26 H32 N4 O4 -","- C52 H64 N8 O8 -","2","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.1829","0.0565","","","0.1004","0.1302","","","","","","0.864","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150492","3.842","0.001","9.062","0.002","12.098","0.002","87.23","0.03","81.25","0.03","78.18","0.03","407.41","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-1,4-diaminobenzene squaric acid co-crystal","","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","1","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0693","0.051","","","0.096","0.1074","","","","","","1.127","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150493","7.767","0.0013","8.8044","0.0017","9.1959","0.0017","62.048","0.019","71.921","0.017","70.707","0.016","515.1","0.19","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-1,4-diaminobenzene 1,4-benzenedicarboxylic acid","","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","1","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","1.54178","CuKα","","0.0546","0.0466","","","0.1237","0.1275","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150494","8.783","0.0011","10.6035","0.0011","13.8087","0.0015","88.06","0.009","87.645","0.009","86.861","0.009","1282.4","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-4,4'-methylenebis(aminobenzene) 1,4-benzenedicarboxylic acid ethanol 2:1:2","","- C29 H29 N4 O3 -","- C29 H29 N4 O3 -","- C58 H58 N8 O6 -","2","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.1515","0.0713","","","0.1562","0.1934","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150495","10.3442","0.0007","11.7028","0.0009","12.6687","0.0009","78.461","0.006","65.91","0.006","73.925","0.006","1338.68","0.18","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-4,4'-oxybis(aminobenzene) 1,4-benzenedicarboxylic acid hydrate 1:1:1","","- C30 H26 N4 O6 -","- C30 H26 N4 O6 -","- C60 H52 N8 O12 -","2","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0571","0.0423","","","0.1193","0.1289","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150496","28.8097","0.0018","7.8866","0.0006","18.5925","0.001","90","","98.004","0.005","90","","4183.3","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(2-pyridyl)-2,2'-oxybis(aminobenzene) fumaric acid co-crystal","","- C24 H20 N4 O3 -","- C24 H20 N4 O3 -","- C192 H160 N32 O24 -","8","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0622","0.0489","","","0.1331","0.1452","","","","","","1.071","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150497","8.2875","0.0006","10.1511","0.0008","13.3739","0.001","78.828","0.007","87.705","0.006","84.019","0.006","1097.55","0.15","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-2,2'-oxybis(aminobenzene) 1,4-benzenedicarboxylic acid co-crystal","","- C26 H21 N4 O3 -","- C26 H21 N4 O3 -","- C52 H42 N8 O6 -","2","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0768","0.0478","","","0.1036","0.1204","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150498","8.962","0.002","8.981","0.002","19.587","0.004","82.32","0.02","88.22","0.02","66.69","0.02","1434.4","0.6","298.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C33 H32 O7 -","- C33 H32 O7 -","- C66 H64 O14 -","2","2","","Yamauchi, Satoshi; Uno, Hidemitsu","Syntheses of the stereoisomers of neolignans morinol C and D","Organic & Biomolecular Chemistry","2003","1","8","1323","","10.1039/b211801g","","","0.7107","MoKa","","","0.0581","","","","0.1486","","","","","","1.207","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150499","16.192","0.005","10.689","0.004","17.644","0.006","90","","91.95","0.02","90","","3052","1.8","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Fe2 N2 O2 -","- C36 H36 Fe2 N2 O2 -","- C144 H144 Fe8 N8 O8 -","4","1","","Coutouli-Argyropoulou, Evdoxia; Tsitabani, Maria; Petrantonakis, Georgios; Terzis, Aris; Raptopoulou, Catherine","Labeling of organic biomolecules with ethynylferrocene","Organic & Biomolecular Chemistry","2003","1","8","1382","","10.1039/b300191a","","","1.5418","CuKα","","0.1223","0.059","","0.1955","0.1448","","","","1.05","1.126","1.126","","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150500","9.589","0.006","13.179","0.007","13.454","0.007","110.43","0.03","100.31","0.03","101.43","0.03","1503.6","1.5","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 Br6 N2 -","- C31 H19 Br6 N2 -","- C62 H38 Br12 N4 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Why a hexabromodiquinoline host preferentially includes small aromatic hydrocarbon guests","Organic & Biomolecular Chemistry","2003","1","8","1435","","10.1039/b300248a","","","0.71073","MoKα","","","0.043","","","","0.051","","","","","","1.6","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150501","10.107","0.005","11.121","0.005","14.41","0.007","74.44","0.04","72.35","0.04","79.62","0.03","1478.2","1.3","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 Br6 N2 -","- C30 H20 Br6 N2 -","- C60 H40 Br12 N4 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Why a hexabromodiquinoline host preferentially includes small aromatic hydrocarbon guests","Organic & Biomolecular Chemistry","2003","1","8","1435","","10.1039/b300248a","","","0.71073","MoKα","","","0.079","","","","0.096","","","","","","1.72","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150502","9.596","0.005","12.682","0.006","13.545","0.007","107.47","0.03","96.61","0.03","106.84","0.02","1467.6","1.3","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 Br6 N2 -","- C30 H20 Br6 N2 -","- C60 H40 Br12 N4 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Why a hexabromodiquinoline host preferentially includes small aromatic hydrocarbon guests","Organic & Biomolecular Chemistry","2003","1","8","1435","","10.1039/b300248a","","","0.71073","MoKα","","","0.06","","","","0.072","","","","","","1.66","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150503","9.212","0.005","15.384","0.006","17.735","0.007","90","","111.75","0.02","90","","2334.4","1.8","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Br6 N2 -","- C22 H10 Br6 N2 -","- C88 H40 Br24 N8 -","4","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Why a hexabromodiquinoline host preferentially includes small aromatic hydrocarbon guests","Organic & Biomolecular Chemistry","2003","1","8","1435","","10.1039/b300248a","","","0.71073","MoKα","","","0.062","","","","0.068","","","","","","1.91","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150504","9.384","0.005","12.901","0.006","13.415","0.007","103.57","0.02","100.24","0.03","109.04","0.02","1434.1","1.3","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 Br6 N2 -","- C29 H15 Br6 N2 -","- C58 H30 Br12 N4 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Why a hexabromodiquinoline host preferentially includes small aromatic hydrocarbon guests","Organic & Biomolecular Chemistry","2003","1","8","1435","","10.1039/b300248a","","","0.71073","MoKα","","","0.079","","","","0.095","","","","","","1.69","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150505","8.283","0.003","12.655","0.004","9.554","0.002","90","","90.09","0.02","90","","1001.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(+/-)-2,4-dichloro-cis-3a,4,7,7a-tetrahydro-cis-4,7-epithio- 1-benzothiophene-trans-1-syn-8-dioxide","","- C8 H6 Cl2 O2 S2 -","- C8 H6 Cl2 O2 S2 -","- C32 H24 Cl8 O8 S8 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Gunaratne, Nimal; Haughey, Simon A.; Kennedy, Martina A.; Malone, John F.; Allen, Christopher C. R.; Dalton, Howard","Dioxygenase-catalysed oxidation of monosubstituted thiophenes: sulfoxidation versus dihydrodiol formation","Organic & Biomolecular Chemistry","2003","1","6","984","","10.1039/b300867n","","","1.54178","CuKα","","0.0744","0.0683","","","0.1779","0.1817","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150506","11.1658","0.0009","6.6249","0.0005","13.2296","0.001","90","","111.526","0.0012","90","","910.37","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)-6-acetyl-1-methyl-7lambda4-thiabicyclo[2.2.1]hepta-2-en-7-one","","- C9 H12 O2 S -","- C9 H12 O2 S -","- C36 H48 O8 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Gunaratne, Nimal; Haughey, Simon A.; Kennedy, Martina A.; Malone, John F.; Allen, Christopher C. R.; Dalton, Howard","Dioxygenase-catalysed oxidation of monosubstituted thiophenes: sulfoxidation versus dihydrodiol formation","Organic & Biomolecular Chemistry","2003","1","6","984","","10.1039/b300867n","","","0.71073","MoKα","","0.1014","0.0912","","","0.2658","0.2759","","","","","","0.954","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150507","10.889","0.002","28.96","0.005","9.213","0.002","90","","106.59","0.02","90","","2784.3","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9,10-Dicyano-9-(6-bromo-5-oxocyclohepta-1,3,6- trienyl)-10-(7-oxocyclohepta- 1,3,5-trienyl)-9,10- dihydroanthracene","","- C36 H23 Br N2 O2 -","- C36 H23 Br N2 O2 -","- C144 H92 Br4 N8 O8 -","4","1","","Mori, Akira; Kawakami, Hiroko; Kato, Nobuo; Wu, Shu-Ping; Takeshita, Hitoshi","Photochemical reactions of 2-bromotropone and 2,7-dibromotropone with 9,10-dicyanoanthracene","Organic & Biomolecular Chemistry","2003","1","10","1730","","10.1039/b300922j","","","1.54184","CuKα","","0.0718","0.048","","0.1446","0.1275","","","","1.039","1.068","1.068","","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150508","16.772","0.003","7.698","0.001","25.944","0.006","90","","94.46","0.02","90","","3339.5","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-Bromo-7-(10-cyano-9-anthryl)tropone","2-Bromo-7-(10-cyano-9-anthryl) cyclohepta-2,4,6-trien-1-one","","- C22 H12 Br N O -","- C22 H12 Br N O -","- C176 H96 Br8 N8 O8 -","8","1","","Mori, Akira; Kawakami, Hiroko; Kato, Nobuo; Wu, Shu-Ping; Takeshita, Hitoshi","Photochemical reactions of 2-bromotropone and 2,7-dibromotropone with 9,10-dicyanoanthracene","Organic & Biomolecular Chemistry","2003","1","10","1730","","10.1039/b300922j","","","1.54184","CuKα","","0.0557","0.0428","","0.1214","0.111","","","","1.059","1.083","1.083","","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150509","13.614","0.003","13.721","0.006","13.427","0.003","104.95","0.02","108.12","0.02","111.56","0.02","2010.8","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","9-(3-Bromo-2-oxocycloheptatrienyl)-9- cyanoanthran-5-one","","- C50 H30 Br2 N2 O4 -","- C50 H30 Br2 N2 O4 -","- C100 H60 Br4 N4 O8 -","2","1","","Mori, Akira; Kawakami, Hiroko; Kato, Nobuo; Wu, Shu-Ping; Takeshita, Hitoshi","Photochemical reactions of 2-bromotropone and 2,7-dibromotropone with 9,10-dicyanoanthracene","Organic & Biomolecular Chemistry","2003","1","10","1730","","10.1039/b300922j","","","1.54184","CuKα","","0.0504","0.0457","","0.1275","0.1236","","","","1.09","1.112","1.112","","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150510","11.026","0.002","23.928","0.004","9.7068","0.0011","90","","91.854","0.012","90","","2559.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-(6-Bromo-7-oxocycloheptatrienyl)- 9,10-dicyano-10-(4,5,6-tribromocyclohex-2-enyl)- 9,10-dihydroanthracene","","- C29 H18 Br4 N2 O -","- C29 H18 Br4 N2 O -","- C116 H72 Br16 N8 O4 -","4","1","","Mori, Akira; Kawakami, Hiroko; Kato, Nobuo; Wu, Shu-Ping; Takeshita, Hitoshi","Photochemical reactions of 2-bromotropone and 2,7-dibromotropone with 9,10-dicyanoanthracene","Organic & Biomolecular Chemistry","2003","1","10","1730","","10.1039/b300922j","","","1.54184","CuKα","","0.0592","0.053","","0.1441","0.1394","","","","1.063","1.091","1.091","","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150511","16.906","0.008","14.087","0.007","7.001","0.004","90","","90.368","0.01","90","","1667.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methyl-dihydro-1,3,4-benzotriazepin-5-ones","4-Methyl-dihydro-1,3,4-benzotriazepin-5-ones","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C72 H72 N24 O8 -","8","2","","Zahra, Jalal A.; El-Abadelah, Mustafa M.; Nazer, Musa Z.; Ebraheem, Kais A. K.; Boese, Roland","Investigations on the structure of 4-methyldihydro-1,3,4-benzotriazepin-5-ones. Tautomer reassignment","Organic & Biomolecular Chemistry","2003","1","10","1798","","10.1039/b301047c","","","0.71073","MoKα","","0.1032","0.0714","","","0.1812","0.2077","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150512","8.0987","0.001","8.0844","0.0006","23.252","0.002","90","","99.511","0.011","90","","1501.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Arene chromium complex","","","- C14 H16 Cr O6 -","- C14 H16 Cr O6 -","- C56 H64 Cr4 O24 -","4","1","","Kumar Tipparaju, Suresh; Puranik, Vedavati G.; Sarkar, Amitabha","Chelation-control in nucleophilic addition to Cr(CO)3-complexed aryl aldehydesElectronic supplementary information (ESI) available: 1) 200 and 300 MHz 1H NMR spectra of selected compounds; 2) Crystallographic tables of bond angles, bond lengths, torsional angles etc. for compounds 3a and 3a?. See http://www.rsc.org/suppdata/ob/b3/b301426f/","Organic & Biomolecular Chemistry","2003","1","10","1720","","10.1039/b301426f","","","0.7093","MoKα","","0.0527","0.035","","","0.0889","0.0949","","","","","","1.022","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150513","13.6389","0.0013","8.9939","0.0011","13.7401","0.0014","90","","113.594","0.007","90","","1544.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Arene chromium complex","","","- C14 H16 Cr O6 -","- C14 H16 Cr O6 -","- C56 H64 Cr4 O24 -","4","1","","Kumar Tipparaju, Suresh; Puranik, Vedavati G.; Sarkar, Amitabha","Chelation-control in nucleophilic addition to Cr(CO)3-complexed aryl aldehydesElectronic supplementary information (ESI) available: 1) 200 and 300 MHz 1H NMR spectra of selected compounds; 2) Crystallographic tables of bond angles, bond lengths, torsional angles etc. for compounds 3a and 3a?. See http://www.rsc.org/suppdata/ob/b3/b301426f/","Organic & Biomolecular Chemistry","2003","1","10","1720","","10.1039/b301426f","","","0.7093","MoKα","","0.035","0.0289","","","0.0838","0.0861","","","","","","1.087","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150514","9.6207","0.0011","10.9214","0.0013","11.3237","0.0013","109.183","0.002","101.783","0.002","98.254","0.002","1071.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","5,5'-difluorophenylindigo–3,3'-bis(4-fluorophenylimine)","","","- C28 H16 F4 N4 -","- C28 H16 F4 N4 -","- C56 H32 F8 N8 -","2","1","","Boeyens, Jan C. A.; Cook, Leanne M.; Ding, Yunxiang; Fernandes, Manuel A.; Reid, David H.","Thermal oligomerisation of aryl isocyanides: formation of pyrazino[1,2-a:4,5-a?]diindoles and indigo diarylimines","Organic & Biomolecular Chemistry","2003","1","12","2168","","10.1039/b302340k","","","0.71073","MoKα","","0.1138","0.0508","","","0.1222","0.1471","","","","","","0.996","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150515","7.977","0.0011","10.8182","0.0015","13.3466","0.0019","109.812","0.002","93.863","0.002","95.079","0.003","1073.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","7,14-di-(4-fluorophenylamino)-6,13-di-(4-fluorophenylimino)pyrazino [1,2-a:4,5-a']diindole","","","- C48 H38 F6 N8 O2 -","- C48 H38 F6 N8 O2 -","- C48 H38 F6 N8 O2 -","1","0.5","","Boeyens, Jan C. A.; Cook, Leanne M.; Ding, Yunxiang; Fernandes, Manuel A.; Reid, David H.","Thermal oligomerisation of aryl isocyanides: formation of pyrazino[1,2-a:4,5-a?]diindoles and indigo diarylimines","Organic & Biomolecular Chemistry","2003","1","12","2168","","10.1039/b302340k","","","0.71073","MoKα","","0.1095","0.0505","","","0.1259","0.1478","","","","","","0.991","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150516","26.112","0.003","9.913","0.001","16.461","0.002","90","","127.628","0.006","90","","3374.6","0.7","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C136 H184 N8 O16 S8 -","8","1","","O'Mahony, Donogh J. R.; Belanger, David B.; Livinghouse, Tom","Substrate control of stereoselection in the rhodium(i) catalyzed intramolecular [4 + 2] cycloaddition reactionElectronic supplementary information (ESI) available: experimental procedures and spectroscopic data for compounds 4a?d and 6a?c. See http://www.rsc.org/suppdata/ob/b3/b302426c/","Organic & Biomolecular Chemistry","2003","1","12","2038","","10.1039/b302426c","","","0.7107","MoKα","","","0.0528","","0.0763","0.0481","","","","","","","1.371","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150517","11.595","0.006","12.862","0.005","11.561","0.006","101.31","0.04","119.63","0.03","73.15","0.03","1431.5","1.3","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H36 Cl5 N3 O5 Os -","- C19 H36 Cl5 N3 O5 Os -","- C38 H72 Cl10 N6 O10 Os2 -","2","1","","Donohoe, Timothy J.; Mitchell, Lee; Waring, Michael J.; Helliwell, Madeleine; Bell, Andrew; Newcombe, Nicholas J.","Scope of the directed dihydroxylation: application to cyclic homoallylic alcohols and trihaloacetamides","Organic & Biomolecular Chemistry","2003","1","12","2173","","10.1039/b303081d","","","0.7107","MoKα","","0.066","0.0354","","0.0369","0.0316","","","","1.609","1.521","1.521","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7150518","11.19","0.02","11.405","0.01","15.857","0.01","90","","102.57","0.04","90","","1975","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 Cl3 N3 O5 Os -","- C13 H24 Cl3 N3 O5 Os -","- C52 H96 Cl12 N12 O20 Os4 -","4","1","","Donohoe, Timothy J.; Mitchell, Lee; Waring, Michael J.; Helliwell, Madeleine; Bell, Andrew; Newcombe, Nicholas J.","Scope of the directed dihydroxylation: application to cyclic homoallylic alcohols and trihaloacetamides","Organic & Biomolecular Chemistry","2003","1","12","2173","","10.1039/b303081d","","","0.71069","MoKα","","0.0261","0.024","","","0.0619","0.0629","","","","","","1.023","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150519","10.771","0.001","11.765","0.001","12.279","0.001","69.53","0.01","85.1","0.01","85.96","0.01","1451.1","0.2","120","0.2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F18 N2 O6 -","- C24 H16 F18 N2 O6 -","- C48 H32 F36 N4 O12 -","2","1","","Chambers, Richard D.; Hoskin, Philip R.; Kenwright, Alan R.; Khalil, Ali; Richmond, Paul; Sandford, Graham; Yufit, Dmitrii S.; Howard, Judith A. K.","Polyhalogenated heterocyclic compounds. Macrocycles from perfluoro-4-isopropylpyridinePart 50. For part 49 see ref. 1.","Organic & Biomolecular Chemistry","2003","1","12","2137","","10.1039/b303443g","","","0.71073","MoKα","","0.2019","0.0762","","","0.1519","0.1921","","","","","","0.952","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150520","11.0542","0.0004","14.1784","0.0005","18.7552","0.0006","90","","102.96","0.001","90","","2864.64","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 F18 N2 O6 -","- C24 H16 F18 N2 O6 -","- C96 H64 F72 N8 O24 -","4","1","","Chambers, Richard D.; Hoskin, Philip R.; Kenwright, Alan R.; Khalil, Ali; Richmond, Paul; Sandford, Graham; Yufit, Dmitrii S.; Howard, Judith A. K.","Polyhalogenated heterocyclic compounds. Macrocycles from perfluoro-4-isopropylpyridinePart 50. For part 49 see ref. 1.","Organic & Biomolecular Chemistry","2003","1","12","2137","","10.1039/b303443g","","","0.71073","MoKα","","0.0532","0.0439","","","0.1101","0.1175","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150521","13.473","0.003","23.261","0.005","11.079","0.002","90","","113.78","0.03","90","","3177.3","1.4","120","0.2","120","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H12 F18 N2 O4 -","- C30 H12 F18 N2 O4 -","- C120 H48 F72 N8 O16 -","4","1","","Chambers, Richard D.; Hoskin, Philip R.; Kenwright, Alan R.; Khalil, Ali; Richmond, Paul; Sandford, Graham; Yufit, Dmitrii S.; Howard, Judith A. K.","Polyhalogenated heterocyclic compounds. Macrocycles from perfluoro-4-isopropylpyridinePart 50. For part 49 see ref. 1.","Organic & Biomolecular Chemistry","2003","1","12","2137","","10.1039/b303443g","","","0.71073","MoKα","","0.1322","0.1168","","","0.2795","0.31","","","","","","1.095","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150522","14.2011","0.0005","8.4725","0.0003","9.4479","0.0003","90","","102.114","0.001","90","","1111.45","0.07","120","0.2","120","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","19,20-diaza-8,17-bis[1,2,2,2-tetrafluoromethyl)ethyl]-7,9,16,18-tetrafluoro-2,5,11,14-tetraoxatricyclo[13.3.1.1^6,10^]icosa-1(19),6,8,10(20),15,17-hexaene","","- C20 H8 F18 N2 O4 -","- C20 H8 F18 N2 O4 -","- C40 H16 F36 N4 O8 -","2","0.5","","Chambers, Richard D.; Hoskin, Philip R.; Kenwright, Alan R.; Khalil, Ali; Richmond, Paul; Sandford, Graham; Yufit, Dmitrii S.; Howard, Judith A. K.","Polyhalogenated heterocyclic compounds. Macrocycles from perfluoro-4-isopropylpyridinePart 50. For part 49 see ref. 1.","Organic & Biomolecular Chemistry","2003","1","12","2137","","10.1039/b303443g","","","0.71073","MoKα","","0.0643","0.0429","","","0.0997","0.1101","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150523","7.014","0.001","7.085","0.001","14.149","0.002","77.79","0.02","89.21","0.01","77.4","0.02","670.28","0.18","243","2","243","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C30 H20 N8 -","2","1","","Nicolle N. P. Moonen; Robin Gist; Corinne Boudon; Jean-Paul Gisselbrecht; Paul Seiler; Tsuyoshi Kawai; Atsushi Kishioka; Maurice Gross; Masahiro Irie; François Diederich","Donor-substituted cyanoethynylethenes: powerful chromophores for opto-electronic applications","Org. Biomol. Chem.","2003","1","12","2032","2034","10.1039/b303879c","","","1.5418","CuKα","","0.064","0.0583","","","0.1721","0.1787","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150524","3.9477","0.0002","11.1064","0.0004","22.3725","0.0009","90","","93.769","0.002","90","","978.79","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C48 H40 N8 -","2","0.5","","Nicolle N. P. Moonen; Robin Gist; Corinne Boudon; Jean-Paul Gisselbrecht; Paul Seiler; Tsuyoshi Kawai; Atsushi Kishioka; Maurice Gross; Masahiro Irie; François Diederich","Donor-substituted cyanoethynylethenes: powerful chromophores for opto-electronic applications","Org. Biomol. Chem.","2003","1","12","2032","2034","10.1039/b303879c","","","0.7107","MoKα","","0.1077","0.0531","","","0.1081","0.1582","","","","","","1.267","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7151357","5.5947","0.0009","9.6504","0.0017","31.93","0.006","90","","90","","90","","1723.9","0.5","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Sorensen, John L.; Auclair, Karine; Kennedy, Jonathan; Richard Hutchinson, C.; Vederas, John C.","Transformations of cyclic nonaketides by Aspergillus terreus mutants blocked for lovastatin biosynthesis at the lovA and lovC genes","Organic & Biomolecular Chemistry","2003","1","1","50","","10.1039/b207721c","","","0.71073","MoKα","","0.2881","0.062","","","0.1103","0.2159","","","","","","0.779","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151358","5.5318","0.0011","9.7123","0.0019","32.163","0.007","90","","90","","90","","1728","0.6","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","","Sorensen, John L.; Auclair, Karine; Kennedy, Jonathan; Richard Hutchinson, C.; Vederas, John C.","Transformations of cyclic nonaketides by Aspergillus terreus mutants blocked for lovastatin biosynthesis at the lovA and lovC genes","Organic & Biomolecular Chemistry","2003","1","1","50","","10.1039/b207721c","","","0.71073","MoKα","","0.0885","0.0538","","","0.0944","0.1044","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151359","17.092","0.002","30.493","0.003","16.382","0.002","90","","90","","90","","8538.1","1.7","299.2","","299.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C48 H48 O12 -","- C48 H48 O12 -","- C384 H384 O96 -","8","1","","Ashram, Muhammad; Mizyed, Shehadeh; Georghiou, Paris E.","Ester derivatives of hexahomotrioxacalix[3]naphthalenes: conformational and binding properties with alkali metal cations","Organic & Biomolecular Chemistry","2003","1","3","599","","10.1039/b209046p","","","1.5418","CuKα","","0.1917","0.087","","0.091","","0.08","","","1.571","","","2.01","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151360","7.295","0.003","18.22","0.008","20.779","0.007","90","","95.67","0.03","90","","2748.3","1.9","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Fe -","- C18 H16 Fe -","- C144 H128 Fe8 -","8","2","","Baldridge, Kim K.; Donovan-Merkert, Bernadette T.; O'Connor, Joseph M.; Lee, Linda I.; Closson, Adam; Fandrick, Daniel; Tran, Tuan; Bunker, Kevin D.; Fouzi, Mouffouk; Gantzel, Peter","Ring-strain effects on the oxidation potential of enediynes and enediyne complexes","Organic & Biomolecular Chemistry","2003","1","5","763","","10.1039/b209285a","","","0.71073","MoKα","","0.0931","0.0544","","0.1308","0.1082","","","","1.026","1.057","1.057","","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151361","7.316","0.005","11.656","0.008","17.244","0.017","75.28","0.07","80.66","0.07","76.67","0.05","1375","2","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 Fe -","- C18 H16 Fe -","- C72 H64 Fe4 -","4","2","","Baldridge, Kim K.; Donovan-Merkert, Bernadette T.; O'Connor, Joseph M.; Lee, Linda I.; Closson, Adam; Fandrick, Daniel; Tran, Tuan; Bunker, Kevin D.; Fouzi, Mouffouk; Gantzel, Peter","Ring-strain effects on the oxidation potential of enediynes and enediyne complexes","Organic & Biomolecular Chemistry","2003","1","5","763","","10.1039/b209285a","","","0.71073","MoKα","","0.0806","0.0611","","0.1733","0.1522","","","","1.043","1.069","1.069","","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151362","10.055","0.007","11.047","0.006","14.409","0.008","107.38","0.04","91.75","0.05","103.08","0.05","1479.5","1.6","186","2","186","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 Fe -","- C19 H18 Fe -","- C76 H72 Fe4 -","4","2","","Baldridge, Kim K.; Donovan-Merkert, Bernadette T.; O'Connor, Joseph M.; Lee, Linda I.; Closson, Adam; Fandrick, Daniel; Tran, Tuan; Bunker, Kevin D.; Fouzi, Mouffouk; Gantzel, Peter","Ring-strain effects on the oxidation potential of enediynes and enediyne complexes","Organic & Biomolecular Chemistry","2003","1","5","763","","10.1039/b209285a","","","0.71073","MoKα","","0.0795","0.0572","","","0.1365","0.1521","","","","","","1.056","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151363","7.7426","0.0003","12.4048","0.0005","24.867","0.001","90","","90","","90","","2388.36","0.16","100","","100","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O2 S2 -","- C29 H24 N2 O2 S2 -","- C116 H96 N8 O8 S8 -","4","1","","van Delden, Richard A.; Koumura, Nagatoshi; Schoevaars, Annemarie; Meetsma, Auke; Feringa, Ben L.","A donor–acceptor substituted molecular motor: unidirectional rotation driven by visible light","Organic & Biomolecular Chemistry","2003","1","1","33","35","10.1039/b209378b","","","0.71073","MoKα","","0.0291","0.0285","","","0.0763","0.0769","","","","","","1.037","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7151364","9.413","0.003","9.609","0.006","12.855","0.004","100.19","0.04","95.29","0.03","109.46","0.05","1064.6","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H33 N3 -","- C23 H33 N3 -","- C46 H66 N6 -","2","1","","Malassene, Richard; Vanquelef, Enguerran; Toupet, Loic; Hurvois, Jean-Pierre; Moinet, Claude","Diastereoselective preparation of 2,4,6-trisubstituted-2'-cyanopiperidines: application to the construction of the carbon framework of perhydrohistrionicotoxin","Organic & Biomolecular Chemistry","2003","1","3","547","","10.1039/b209387a","","","0.71069","MoKα","","0.1071","0.0615","","","0.1911","0.2077","","","","","","1.095","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151365","12.3997","0.0002","20.171","0.0004","30.6428","0.0006","90","","90","","90","","7664.2","0.2","100","2","100","2","","","","","","","Sandoz-Novartis","4","P 21 21 21","P 2ac 2ab","19","cyclosporin G","cyclosporin G crystal form I ex MeOH LT","","- C63.5 H119.8 N11 O14.9 -","- C63.5 H119.8 N11 O14.9 -","- C254 H479.2 N44 O59.6 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","0.71073","MoKα","","0.1427","0.0661","","","0.1489","0.1813","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151366","12.43","0.0017","20.256","0.003","30.617","0.004","90","","90","","90","","7708.8","1.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclosporin G","cyclosporin G crystal form II ex MeOH and Mg (ClO4)2 LT","","- C64 H121.8 N11 O15.4 -","- C64 H121.8 N11 O15.4 -","- C256 H487.2 N44 O61.6 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","0.71073","MoKα","","0.0726","0.0558","","","0.1386","0.1485","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151367","17.2986","0.0008","19.69","0.001","24.137","0.004","90","0","90","0","90","0","8221.3","1.5","293","2","293","2","","","","","","","Sandoz-Novartis","4","P 21 21 21","P 2ac 2ab","19","cyclosporin H","cyclosporin H crystal form I ex MeOH RT","","- C62 H123 N11 O18 -","- C62 H123 N11 O18 -","- C248 H492 N44 O72 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","1.5418","CuKα","","0.1343","0.0892","","","0.2212","0.2418","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151368","17.358","0.002","19.515","0.001","23.225","0.003","90","0","90","0","90","0","7867.3","1.4","293","2","293","2","","","","","","","Sandoz-Novartis","4","P 21 21 21","P 2ac 2ab","19","cyclosporin H","cyclosporin H crystal form II ex MeOH+Mg(ClO4)2 RT","","- C62 H123.8 N11 O18.4 -","- C62 H123.8 N11 O18.4 -","- C248 H495.2 N44 O73.6 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","1.5418","CuKα","","0.0937","0.0582","","","0.1429","0.1555","","","","","","0.964","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151369","9.1016","0.0009","9.3289","0.0007","11.1653","0.0012","90","","96.651","0.013","90","","941.64","0.16","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C48 H48 N4 O2 -","2","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0351","0.0278","","","0.0639","0.0664","","","","","","0.949","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151370","10.8641","0.0016","6.36","0.0008","13.0544","0.0017","90","","90.312","0.01","90","","902","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 -","- C23 H22 N2 -","- C46 H44 N4 -","2","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.085","0.0494","","","0.0967","0.1118","","","","","","1.119","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151371","6.6825","0.0005","7.4085","0.0004","23.4403","0.0018","90","","94.08","0.01","90","","1157.53","0.14","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 Cl3 N2 O -","- C25 H25 Cl3 N2 O -","- C50 H50 Cl6 N4 O2 -","2","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0403","0.0299","","","0.0657","0.0684","","","","","","0.923","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151372","11.4989","0.0005","14.7712","0.0008","25.141","0.0016","90","","90","","90","","4270.3","0.4","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H50 N4 -","- C54 H50 N4 -","- C216 H200 N16 -","4","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.076","0.0326","","","0.0487","0.0558","","","","","","0.73","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151373","20.7692","0.0018","6.0863","0.0004","14.9639","0.0013","90","","99.673","0.01","90","","1864.7","0.3","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H46 N4 O2 -","- C48 H46 N4 O2 -","- C96 H92 N8 O4 -","2","0.5","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0425","0.0334","","","0.0819","0.0847","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151374","6.1546","0.0005","13.5496","0.0013","17.5877","0.0016","90","","90","","90","","1466.7","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br N2 -","- C17 H17 Br N2 -","- C68 H68 Br4 N8 -","4","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0705","0.0315","","","0.051","0.0574","","","","","","0.783","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151375","11.4893","0.0008","20.8542","0.0016","6.4198","0.0004","90","","90","","90","","1538.19","0.19","153","2","153","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H50 N4 -","- C34 H50 N4 -","- C68 H100 N8 -","2","0.5","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0774","0.0417","","","0.0841","0.0926","","","","","","0.834","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151376","6.5403","0.0008","11.3397","0.001","20.395","0.002","90","","90","","90","","1512.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br N2 -","- C17 H17 Br N2 -","- C68 H68 Br4 N8 -","4","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","1.5418","CuKα","","0.032","0.0314","","","0.0801","0.0808","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151377","12.915","0.002","5.694","0.001","27.08","0.003","90","","98.69","","90","","1968.5","0.5","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-hydroxy-6-(4-methoxybencyliden)-2-(1-(4- methoxyphenyl)ethyl)cyclohexanone","2-hydroxy-6-(4-methoxybencyliden)-2-[1-(4-methoxyphenyl)ethyl]cyclohexanone","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","","Klimova, Elena I.; García, Marcos Martínez; Klimova, Tatiana; Ortega, S. Hernandez; Bakinovsky, Leon V.","1,3-Bis(diarylmethylidene)-2-methylidenecyclohexanes in cycloaddition and cyclodimerization reactions. The role of stereoelectronic factors","Organic & Biomolecular Chemistry","2003","1","7","1210","","10.1039/b210890a","","","1.54178","CuKα","","0.0533","0.0423","","","0.1037","0.1124","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151378","15.243","0.006","8.697","0.004","15.245","0.01","90","","108.21","0.04","90","","1919.8","1.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Heaney, Frances; Fenlon, Julie; McArdle, Patrick; Cunningham, Desmond","α-Keto amides as precursors to heterocycles—generation and cycloaddition reactions of piperazin-5-one nitrones","Organic & Biomolecular Chemistry","2003","1","7","1122","","10.1039/b210943n","","","0.71069","MoKα","","0.0918","0.0648","","","0.1562","0.1726","","","","","","1.063","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151379","8.4604","0.0016","19.74","0.002","16.8","0.002","90","","90","","90","","2805.7","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","","Heaney, Frances; Fenlon, Julie; McArdle, Patrick; Cunningham, Desmond","α-Keto amides as precursors to heterocycles—generation and cycloaddition reactions of piperazin-5-one nitrones","Organic & Biomolecular Chemistry","2003","1","7","1122","","10.1039/b210943n","","","0.71069","MoKα","","0.0488","0.0435","","","0.1055","0.1105","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151380","14.013","0.001","14.151","0.001","17.216","0.001","88.99","0.01","70.38","0.01","68.04","0.01","2959.5","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","9-{N-tosylpyrrolo[3,4-d]-1,3-dithiol-2-ylidene}-10-{4,5- bis(methylsulfanyl)-1,3-dithiol-2-ylidene}-9,10-dihydroanthracene","","- C31 H23 N O2 S7 -","- C31 H23 N O2 S7 -","- C124 H92 N4 O8 S28 -","4","2","","Christensen, Christian A.; Bryce, Martin R.; Batsanov, Andrei S.; Becher, Jan","New strategies and building blocks for functionalised 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene derivatives, including pyrrolo-annelated derivatives and π-extended systems with intramolecular charge-transferThis paper is Molecular Saddles Part 10. For Part 9 see reference 5c.Electronic supplementary information (ESI) available: NOE spectra for compound 23. See http://www.rsc.org/suppdata/ob/b2/b211153p/","Organic & Biomolecular Chemistry","2003","1","3","511","","10.1039/b211153p","","","0.71073","MoKα","","0.0455","0.0347","","","0.086","0.0921","","","","","","1.021","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151381","9.226","0.001","12.541","0.001","12.76","0.002","99.64","0.01","95.44","0.01","108.73","0.01","1360.9","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","9-{pyrrolo[3,4-d]-1,3-dithiol-2-ylidene}-10-{4,5-bis(butylsulfanyl)- 1,3-dithiol-2-ylidene}-9,10-dihydroanthracene","","- C30 H29 N S6 -","- C30 H29 N S6 -","- C60 H58 N2 S12 -","2","1","","Christensen, Christian A.; Bryce, Martin R.; Batsanov, Andrei S.; Becher, Jan","New strategies and building blocks for functionalised 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene derivatives, including pyrrolo-annelated derivatives and π-extended systems with intramolecular charge-transferThis paper is Molecular Saddles Part 10. For Part 9 see reference 5c.Electronic supplementary information (ESI) available: NOE spectra for compound 23. See http://www.rsc.org/suppdata/ob/b2/b211153p/","Organic & Biomolecular Chemistry","2003","1","3","511","","10.1039/b211153p","","","0.71073","MoKα","","0.0355","0.0305","","","0.0812","0.0846","","","","","","1.031","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151382","12.276","0.003","9.688","0.002","25.605","0.005","90","","100.73","0.01","90","","2992","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-{N-methylpyrrolo[3,4-d]-1,3-dithiol-2-ylidene}-10-{4,5- bis(butylsulfanyl)-1,3-dithiol-2-ylidene}-9,10-dihydroanthracene","","- C31 H31 N S6 -","- C31 H31 N S6 -","- C124 H124 N4 S24 -","4","1","","Christensen, Christian A.; Bryce, Martin R.; Batsanov, Andrei S.; Becher, Jan","New strategies and building blocks for functionalised 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene derivatives, including pyrrolo-annelated derivatives and π-extended systems with intramolecular charge-transferThis paper is Molecular Saddles Part 10. For Part 9 see reference 5c.Electronic supplementary information (ESI) available: NOE spectra for compound 23. See http://www.rsc.org/suppdata/ob/b2/b211153p/","Organic & Biomolecular Chemistry","2003","1","3","511","","10.1039/b211153p","","","0.71073","MoKα","","0.0717","0.0488","","","0.1169","0.1331","","","","","","1.019","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151383","11.413","0.017","13.296","0.017","32.14","0.04","81.631","0.01","81.645","0.01","67.077","0.01","4423","10","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C81.5 H93 Cl4 I4 N0 O11.5 -","- C81.5 H77 Cl4 I4 O11.49 -","- C163 H154 Cl8 I8 O22.98 -","2","1","","Matthews, Susan E.; Felix, Vitor; Drew, Michael G. B.; Beer, Paul D.","Halo-Derivatised Calix[4]tubes","Organic & Biomolecular Chemistry","2003","1","7","1232","","10.1039/b211303a","","","0.71073","MoKα","","0.1154","0.0905","","","0.2436","0.2674","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151384","32.85","0.04","13.692","0.019","47.55","0.06","90","","98.546","0.01","90","","21150","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C109 H114 Br4 O7 -","- C96 H101 Br4 O14 -","- C768 H808 Br32 O112 -","8","1","","Matthews, Susan E.; Felix, Vitor; Drew, Michael G. B.; Beer, Paul D.","Halo-Derivatised Calix[4]tubes","Organic & Biomolecular Chemistry","2003","1","7","1232","","10.1039/b211303a","","","0.71073","MoKα","","0.2825","0.1262","","","0.31","0.3511","","","","","","0.918","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151385","13.949","0.005","8.165","0.003","12.755","0.005","90","","117.15","0.007","90","","1292.6","0.8","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Oxo-2H-2-[N-(methylphenylhydrazono)]benzothiophene","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C60 H48 N8 O4 S4 -","4","1","","Zahra, Jalal A.; Abu Thaher, Bassam A.; El-Abadelah, Mustafa M.; Boese, Roland","An alternative synthesis of 2-(N-arylhydrazono)-1-benzothiophen-3-ones","Organic & Biomolecular Chemistry","2003","1","5","822","","10.1039/b211458p","","","0.71073","MoKα","","0.1283","0.0669","","","0.1423","0.1716","","","","","","0.935","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151386","15.1929","0.0006","7.2142","0.0003","7.2588","0.0003","90","","90","","90","","795.6","0.06","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1-(2-hydroxy-5-nitrophenyl)ethanone","1-(2-hydroxy-5-nitrophenyl)ethanone","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","","Hibbs, David E.; Overgaard, Jacob; Piltz, Ross O.","X‒N Charge density analysis of the hydrogen bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanoneElectronic supplementary information (ESI) available: multipole population coefficients and pseudoatom parameterization. See http://www.rsc.org/suppdata/ob/b2/b211683a/","Organic & Biomolecular Chemistry","2003","1","7","1191","","10.1039/b211683a","","neutron","1.235","Neutron","","0.0235","0.0226","","","0.0548","0.0554","","","","","","1.18","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151387","15.2399","","7.2338","","7.2773","","90","","90","","90","","802.267","","100","1","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","1-(2-hydroxy-5-nitrophenyl)ethanone","1-(2-hydroxy-5-nitrophenyl)ethanone","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","","Hibbs, David E.; Overgaard, Jacob; Piltz, Ross O.","X‒N Charge density analysis of the hydrogen bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanoneElectronic supplementary information (ESI) available: multipole population coefficients and pseudoatom parameterization. See http://www.rsc.org/suppdata/ob/b2/b211683a/","Organic & Biomolecular Chemistry","2003","1","7","1191","","10.1039/b211683a","","","0.71073","MoKα","","0.027","0.026","","","0.022","0.022","","","","","","2","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151388","12.031","0.005","14.718","0.007","9.702","0.003","107.6","0.03","102.69","0.03","68.07","0.03","1507.9","1.1","293.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 O5 -","- C38 H34 O5 -","- C76 H68 O10 -","2","1","","Yoshitake, Yasuyuki; Misaka, Junichi; Abe, Masaki; Yamasaki, Masatoshi; Eto, Masashi; Harano, Kazunobu","Carboxylic acid clathrate hosts of Diels‒Alder adducts of phencyclone and 2-alkenoic acids. Role of bidentate C‒H⋯O hydrogen bonds between the phenanthrene and carbonyl groups in host‒host networksElectronic supplementary information (ESI) available: structures and packing diagrams. See http://www.rsc.org/suppdata/ob/b2/b212129h/","Organic & Biomolecular Chemistry","2003","1","7","1240","","10.1039/b212129h","","","0.7107","MoKα","","","0","","","","0.0732","","","","","","1.608","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151389","11.899","0.001","13.792","0.001","11.684","0.001","98.192","0.008","111.951","0.007","67.864","0.007","1647.4","0.3","293.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C43 H36 O4 -","- C43 H36 O4 -","- C86 H72 O8 -","2","1","","Yoshitake, Yasuyuki; Misaka, Junichi; Abe, Masaki; Yamasaki, Masatoshi; Eto, Masashi; Harano, Kazunobu","Carboxylic acid clathrate hosts of Diels‒Alder adducts of phencyclone and 2-alkenoic acids. Role of bidentate C‒H⋯O hydrogen bonds between the phenanthrene and carbonyl groups in host‒host networksElectronic supplementary information (ESI) available: structures and packing diagrams. See http://www.rsc.org/suppdata/ob/b2/b212129h/","Organic & Biomolecular Chemistry","2003","1","7","1240","","10.1039/b212129h","","","0.7107","MoKα","","","0.04","","","","0.0705","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151390","11.882","0.005","12.857","0.003","10.411","0.005","98.94","0.03","104.64","0.04","63.49","0.02","1375.4","1","293.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N O3 -","- C34 H31 N O3 -","- C68 H62 N2 O6 -","2","1","","Yoshitake, Yasuyuki; Misaka, Junichi; Abe, Masaki; Yamasaki, Masatoshi; Eto, Masashi; Harano, Kazunobu","Carboxylic acid clathrate hosts of Diels‒Alder adducts of phencyclone and 2-alkenoic acids. Role of bidentate C‒H⋯O hydrogen bonds between the phenanthrene and carbonyl groups in host‒host networksElectronic supplementary information (ESI) available: structures and packing diagrams. See http://www.rsc.org/suppdata/ob/b2/b212129h/","Organic & Biomolecular Chemistry","2003","1","7","1240","","10.1039/b212129h","","","0.7107","MoKα","","","0.0532","","","","0.0914","","","","","","1.152","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151391","3.9188","0.0008","30.25","0.006","11.013","0.002","90","","100.187","0.004","90","","1284.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C68 H52 F4 O8 -","4","1","","Xu, Wei; Chen, Qing-Yun","A novel approach of cycloaddition of difluorocarbene to α,β-unsaturated aldehydes and ketones: synthesis of gem-difluorocyclopropyl ketones and 2-fluorofurans","Organic & Biomolecular Chemistry","2003","1","7","1151","","10.1039/b212232d","","","0.71073","MoKα","","0.0818","0.0425","","","0.0803","0.0905","","","","","","0.823","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151392","4.5249","0.0002","19.144","0.0009","13.5302","0.0004","90","","94.715","0.001","90","","1168.08","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","N-3,5-dichlorosalicylideneaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","","Fukuda, Hisatane; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Crystalline photochromism of N-salicylidene-2,6-dialkylanilines: advantage of 2,6-dialkyl substituents of aniline for preparation of photochromic Schiff base crystals","Organic & Biomolecular Chemistry","2003","1","9","1578","","10.1039/b212295b","","x-ray","0.71069","MoKα","","0.1217","0.1115","","","0.3221","0.3322","","","","","","1.17","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151393","12.717","0.001","9.179","0.003","13.527","0.002","90","","116.965","0.009","90","","1407.3","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","N-(3,5-dichlorosalicylidene)-2,6-dimethylaniline","","- C15 H13 Cl2 N O -","- C15 H13 Cl2 N O -","- C60 H52 Cl8 N4 O4 -","4","1","","Fukuda, Hisatane; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Crystalline photochromism of N-salicylidene-2,6-dialkylanilines: advantage of 2,6-dialkyl substituents of aniline for preparation of photochromic Schiff base crystals","Organic & Biomolecular Chemistry","2003","1","9","1578","","10.1039/b212295b","","x-ray","0.71073","MoKα","","0.0493","0.0344","","","0.0965","0.1056","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151394","11.228","0.0007","14.8658","0.0008","22.7359","0.0013","90","","91.153","0.003","90","","3794.2","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-dichlorosalicylidene)-2,6-diisopropylaniline","","- C19 H21 Cl2 N O -","- C19 H21 Cl2 N O -","- C152 H168 Cl16 N8 O8 -","8","2","","Fukuda, Hisatane; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Crystalline photochromism of N-salicylidene-2,6-dialkylanilines: advantage of 2,6-dialkyl substituents of aniline for preparation of photochromic Schiff base crystals","Organic & Biomolecular Chemistry","2003","1","9","1578","","10.1039/b212295b","","x-ray","0.71069","MoKα","","0.0997","0.0614","","","0.1601","0.19","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151395","13.805","0.0004","11.639","0.0003","15.6289","0.0004","90","","97.051","0.001","90","","2492.2","0.12","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-dichlorosalicylidene)-2,4,6-tri-tert-butylaniline","","- C25 H33 Cl2 N O -","- C25 H33 Cl2 N O -","- C100 H132 Cl8 N4 O4 -","4","1","","Fukuda, Hisatane; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Crystalline photochromism of N-salicylidene-2,6-dialkylanilines: advantage of 2,6-dialkyl substituents of aniline for preparation of photochromic Schiff base crystals","Organic & Biomolecular Chemistry","2003","1","9","1578","","10.1039/b212295b","","x-ray","0.71069","MoKα","","0.1867","0.0883","","","0.1711","0.2128","","","","","","1.104","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151396","23.502","0.009","15.453","0.003","13.68","0.004","90","","118.66","0.02","90","","4360","2","296.2","","296.2","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H54.123 Cl9.877 N6 O3.123 Pt Zn3 -","- C22 H48 Cl9.877 N6 O3.123 Pt Zn3 -","- C88 H192 Cl39.508 N24 O12.492 Pt4 Zn12 -","4","1","","Kylie N. Brown; Rodney J. Geue; Trevor W. Hambley; David C. R. Hockless; A. David Rae; Alan M. Sargeson","Specificity in template syntheses of hexaaza-macrobicyclic cages: [Pt(Me5-tricosatrieneN6)]4+ and [Pt(Me5-tricosaneN6)]4+","Org. Biomol. Chem.","2003","1","9","1598","1608","10.1039/b212326f","","","0.7107","MoKα","","0.038","0.0277","","0.0379","","0.0364","","","1.619","","","1.704","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151397","14.724","0.005","14.724","0.005","55.8","0.01","90","","90","","120","","10477","5","294.2","","294.2","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C22 H46 Cl7 N6 O2 Pt Zn1.5 -","- C22 H46.0002 Cl6.9999 N6 O2.0001 Pt Zn1.5 -","- C264 H552.002 Cl83.9988 N72 O24.0012 Pt12 Zn18 -","12","0.333333","","Kylie N. Brown; Rodney J. Geue; Trevor W. Hambley; David C. R. Hockless; A. David Rae; Alan M. Sargeson","Specificity in template syntheses of hexaaza-macrobicyclic cages: [Pt(Me5-tricosatrieneN6)]4+ and [Pt(Me5-tricosaneN6)]4+","Org. Biomol. Chem.","2003","1","9","1598","1608","10.1039/b212326f","","","0.7107","MoKα","","0.0622","0.0459","","0.102","","0.088","","","1.932","","","1.964","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151398","12.3217","0.0002","15.4829","0.0002","22.9369","0.0002","90","","90","","90","","4375.8","0.1","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 N4 O6 Si Zn -","- C49 H48 N4 O6 Si Zn -","- C196 H192 N16 O24 Si4 Zn4 -","4","1","","Felber, Beatrice; Calle, Carlos; Seiler, Paul; Schweiger, Arthur; Diederich, François","Dendritic metalloporphyrins with a distal H-bond donor as mimics of haemoglobinElectronic supplementary information (ESI) available: procedures for the synthesis of 1 and 5 and iron(ii) insertion into the dendritic porphyrins including full spectral characterisation and complete EPR characterisation of the complex 22·Co(dmim) and the corresponding oxygenated complex. See http://www.rsc.org/suppdata/ob/b2/b212468h/","Organic & Biomolecular Chemistry","2003","1","7","1090","","10.1039/b212468h","","","0.7107","MoKα","","0.0472","0.037","","","0.0765","0.0813","","","","","","1.036","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151399","18.827","0.004","5.097","0.001","16.083","0.003","90","","96.99","0.02","90","","1531.9","0.5","160","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 O5 -","- C15 H26 O5 -","- C60 H104 O20 -","4","1","","McCullough, Kevin J.; Tokuhara, Hidekazu; Masuyama, Araki; Nojima, Masatomo","New approaches to the synthesis of spiro-peroxylactones","Organic & Biomolecular Chemistry","2003","1","9","1522","","10.1039/b300342f","","","0.71073","MoKα","","0.0564","0.0417","","","0.1016","0.1125","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151400","9.726","0.003","18.482","0.005","11.049","0.003","90","","102.86","0.03","90","","1936.3","1","293","2","293","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","PNOX","","","- C24 H19 N O5 -","- C24 H19 N O5 -","- C96 H76 N4 O20 -","4","1","","Christophe Roussel; Rachid Fihi; Kabula Ciamala; Joël Vebrel; Touria Zair; Claude Riche","Spiroheterocycles from reaction of nitrones with methylene-γ-butyrolactones and some of their rearrangements","Org. Biomol. Chem.","2003","1","15","2689","2698","10.1039/b300628j","","","1.5418","CuKα","","0.0573","0.04","","0.1188","","0.1022","","","1.039","","","1.071","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151401","7.474","0.004","12.744","0.004","15.237","0.003","90","","91.49","0.03","90","","1450.8","0.9","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl2 O2 -","- C16 H12 Cl2 O2 -","- C64 H48 Cl8 O8 -","4","1","","Lee T. Boulton; Ian C. Lennon; Raymond McCague","Asymmetric hydrogenation of a 4,4-diaryl-3-butenoate; a novel approach to sertraline","Org. Biomol. Chem.","2003","1","7","1094","1096","10.1039/b301175p","","","0.7107","MoKα","","0.157","0.0575","","","0.0906","0.1135","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151402","8.266","0.0005","8.644","0.0006","12.532","0.001","80.053","0.003","81.737","0.003","75.392","0.003","848.73","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4,7,10,13-pentaoxacyclopentadecane ethanedithioamide clathrate","1,4,7,10,13-pentaoxacyclopentadecane ethanedithioamide clathrate","","- C12 H24 N2 O5 S2 -","- C12 H24 N2 O5 S2 -","- C24 H48 N4 O10 S4 -","2","1","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.1092","0.0938","","","0.2308","0.2389","","","","","","1.122","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151403","23.72","0.0001","7.655","0.0002","18.364","0.0003","90","","106.981","0.0006","90","","3189.1","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","cis-syn-cis (A) isomer (2,3,11,12-dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane bis(ethanedithioamide) clathrate","cis-syn-cis (A) isomer (2,3,11,12-dicyclohexano-1,4,7,10,13,16- hexaoxacyclooctadecane bis(ethanedithioamide) clathrate","","- C24 H44 N4 O6 S4 -","- C24 H44 N4 O6 S4 -","- C96 H176 N16 O24 S16 -","4","0.5","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.7107","MoKα","","0.0582","0.0424","","","0.0966","0.1033","","","","","","1.067","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151404","12.654","0.003","7.57","0.0015","17.129","0.003","90","","106.14","0.03","90","","1576.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-anti-cis (B) isomer (2,3,11,12-dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane bis(ethanedithioamide) clathrate","cis-anti-cis (B) isomer (2,3,11,12-dicyclohexano-1,4,7,10,13,16- hexaoxacyclooctadecane bis(ethanedithioamide) clathrate","","- C24 H44 N4 O6 S4 -","- C24 H44 N4 O6 S4 -","- C48 H88 N8 O12 S8 -","2","0.5","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.0494","0.0421","","","0.1103","0.1144","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151405","14.196","0.003","7.187","0.002","19.552","0.003","90","","92.18","0.02","90","","1993.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4,7,10,13,16-hexaoxacyclooctadecane N,N'- (thiocarbamoyl)hydrazine clathrate","1,4,7,10,13,16-hexaoxacyclooctadecane N,N'-(thiocarbamoyl)hydrazine clathrate","","- C14 H30 N4 O6 S2 -","- C14 H30 N4 O6 S2 -","- C56 H120 N16 O24 S8 -","4","1","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.7107","MoKα","","0.0452","0.0334","","","0.0746","0.0782","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151406","12.489","0.002","7.509","0.002","14.639","0.003","90","","93.61","0.03","90","","1370.1","0.5","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","cis-anti-cis isomer (B) (2,3,11,12-dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane N,N'-(thiocarbamoyl)hydrazine clathrate","cis-anti-cis isomer (B) (2,3,11,12-dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane N,N'-(thiocarbamoyl)hydrazine clathrate","","- C22 H42 N4 O6 S2 -","- C22 H42 N4 O6 S2 -","- C44 H84 N8 O12 S4 -","2","1","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.0315","0.0303","","","0.0789","0.0796","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151407","13.632","0.003","9.475","0.002","19.185","0.004","90","","90","","90","","2478","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,4,7,10,13-pentaoxacyclopentadecane bis(N,N'- (thiocarbamoyl)hydrazine) clathrate","1,4,7,10,13-pentaoxacyclopentadecane bis[N,N'-(thiocarbamoyl)hydrazine] clathrate","","- C14 H32 N8 O5 S4 -","- C14 H32 N8 O5 S4 -","- C56 H128 N32 O20 S16 -","4","0.5","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.0519","0.0411","","","0.0917","0.0971","","","","","","1.079","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151408","18.475","0.004","18.445","0.004","9.443","0.002","90","","90","0.03","90","","3217.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4,7,10-tetraoxacyclododecane N,N'-(thiocarbamoyl)hydrazine clathrate","1,4,7,10-tetraoxacyclododecane N,N'-(thiocarbamoyl)hydrazine clathrate","","- C10 H22 N4 O4 S2 -","- C10 H22 N4 O4 S2 -","- C80 H176 N32 O32 S16 -","8","2","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.0448","0.0343","","","0.079","0.0828","","","","","","0.926","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151409","12.419","0.001","10.721","0.001","9.853","0.001","90","","90","","90","","1311.9","0.2","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","","Jackson, Richard F. W.; Dunn, Sara F. C.; McCamley, Andrew; Clegg, William","Synthesis and crystal structures of 2-substituted-2-phenylsulfonyloxiranes: evidence for a generalised anomeric effect in 2-phenylsulfonyloxiranesElectronic supplementary information (ESI) available: PDB files of the crystal structures of compounds 5, 6b and 7. See http://www.rsc.org/suppdata/ob/b3/b301409f/","Organic & Biomolecular Chemistry","2003","1","14","2527","","10.1039/b301409f","","","1.54184","CuKα","","0.061","0.0605","","","0.16","0.1609","","","","","","1.09","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151410","9.117","0.001","14.592","0.002","25.69","0.004","90","","90","","90","","3417.7","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O4 S2 -","- C17 H18 O4 S2 -","- C136 H144 O32 S16 -","8","1","","Jackson, Richard F. W.; Dunn, Sara F. C.; McCamley, Andrew; Clegg, William","Synthesis and crystal structures of 2-substituted-2-phenylsulfonyloxiranes: evidence for a generalised anomeric effect in 2-phenylsulfonyloxiranesElectronic supplementary information (ESI) available: PDB files of the crystal structures of compounds 5, 6b and 7. See http://www.rsc.org/suppdata/ob/b3/b301409f/","Organic & Biomolecular Chemistry","2003","1","14","2527","","10.1039/b301409f","","","0.71073","MoKα","","0.0614","0.0353","","","0.0878","0.1018","","","","","","1.064","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151411","9.399","0.001","14.683","0.001","25.747","0.003","90","","90","","90","","3553.2","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O5 S2 -","- C17 H18 O5 S2 -","- C136 H144 O40 S16 -","8","1","","Jackson, Richard F. W.; Dunn, Sara F. C.; McCamley, Andrew; Clegg, William","Synthesis and crystal structures of 2-substituted-2-phenylsulfonyloxiranes: evidence for a generalised anomeric effect in 2-phenylsulfonyloxiranesElectronic supplementary information (ESI) available: PDB files of the crystal structures of compounds 5, 6b and 7. See http://www.rsc.org/suppdata/ob/b3/b301409f/","Organic & Biomolecular Chemistry","2003","1","14","2527","","10.1039/b301409f","","","0.71073","MoKα","","0.1736","0.062","","","0.1461","0.1974","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151412","8.519","0.001","9.782","0.001","18.631","0.002","90","","90","","90","","1552.6","0.3","294","1","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-OXO-4B,6B-DIYL-S(S)-CYCLIC SULPHITE","1-OXO-4B,6B-DIYL-S(S)-CYCLIC SULPHITE","","- C15 H24 O4 S -","- C15 H24 O4 S -","- C60 H96 O16 S4 -","4","1","","Andrés García-Granados; María C. Gutiérrez; Francisco Rivas","Improved microbiological hydroxylation of sesquiterpenoids: semisynthesis, structural determination and biotransformation studies of cyclic sulfite eudesmane derivatives","Org. Biomol. Chem.","2003","1","13","2314","2320","10.1039/b301577g","","","0.71073","MoKα","","0.0535","0.0409","","","0.1006","0.1086","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151413","9.321","0.002","7.996","0.002","11.132","0.002","90","","106.32","0.03","90","","796.2","0.3","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","1-OXO-4B,6B-DIYL-S(R)-CYCLIC SULPHITE","1-OXO-4B,6B-DIYL-S(R)-CYCLIC SULPHITE","","- C15 H24 O4 S -","- C15 H24 O4 S -","- C30 H48 O8 S2 -","2","1","","Andrés García-Granados; María C. Gutiérrez; Francisco Rivas","Improved microbiological hydroxylation of sesquiterpenoids: semisynthesis, structural determination and biotransformation studies of cyclic sulfite eudesmane derivatives","Org. Biomol. Chem.","2003","1","13","2314","2320","10.1039/b301577g","","","0.71073","MoKα","","0.105","0.0672","","","0.1455","0.173","","","","","","1.167","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151414","6.751","0.002","24.363","0.009","8.091","0.001","90","","101.75","0.02","90","","1302.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H17 F2 O5 P -","- C8 H17 F2 O5 P -","- C32 H68 F8 O20 P4 -","4","1","","Arnaud Henry-dit-Quesnel; Loic Toupet; Jean-Claude Pommelet; Thierry Lequeux","A difluorosulfide as a Freon-free source of phosphonodifluoromethyl carbanion","Org. Biomol. Chem.","2003","1","14","2486","2491","10.1039/b301729j","","","0.71069","MoKα","","0.0664","0.0446","","","0.124","0.1349","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151415","10.5516","0.0006","26.343","0.002","11.8322","0.0009","90","","101.243","0.005","90","","3225.8","0.4","213.1","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","1","","Toyota, Shinji; Iida, Taku; Kunizane, Chinatsu; Tanifuji, Naoki; Yoshida, Yukihiro","Rotational isomerism involving an acetylenic carbon IV: synthesis and structure of bis(1,1';3',1''-terphenyl-2'-yl)ethynes: molecular design of sterically congested alkynes toward restricted rotation about acetylenic axis","Organic & Biomolecular Chemistry","2003","1","13","2298","2302","10.1039/b302016a","","","0.7107","MoKα","","","0.053","","","","0.152","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151416","12.818","0.007","10.012","0.005","29.263","0.014","90","","90","","90","","3755","3","115","2","115","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H24 O2 Si2 -","- C16 H24 O2 Si2 -","- C128 H192 O16 Si16 -","8","2","","Sankararaman, Sethuraman; Srinivasan, Manivannan","Synthesis of differentially protected/functionalised acetylenic building blocks from p-benzoquinone and their use in the synthesis of new enediynesElectronic supplementary information (ESI) available: 400 MHz 1H NMR and 13C NMR spectra. See http://www.rsc.org/suppdata/ob/b3/b302323k/","Organic & Biomolecular Chemistry","2003","1","13","2388","","10.1039/b302323k","","","0.71073","MoKα","","0.159","0.0757","","","0.1745","0.2075","","","","","","0.846","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151417","12.9389","0.0002","11.7515","0.0003","16.957","0.0004","90","","111.055","0.0008","90","","2406.2","0.09","200","","","","","","","","","","Local laboratory","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H34 O3 Si -","- C27 H34 O3 Si -","- C108 H136 O12 Si4 -","4","1","","Chaplin, Jason H.; Edwards, Alison J.; Flynn, Bernard L.","An enantioselective double Diels?Alder approach to the tetracyclic framework of colombiasin AElectronic supplementary information (ESI) available: Detailed procedures for the preparation of all compounds and their spectral data. See http://www.rsc.org/suppdata/ob/b3/b302522e/","Organic & Biomolecular Chemistry","2003","1","11","1842","","10.1039/b302522e","","","0.71073","MoKα","","","0.0349","","","","0.0409","","","","","","1.0528","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151418","37.608","0.006","8.6937","0.0014","15.053","0.003","90","","99.163","0.003","90","","4858.8","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,2-Di(methoxycarbonyl)-1,10b-dihydropyrolo(2,1-a)isoquinolin- 3-yl-(10H-phenothiazin-10-yl)-1-methanone","1,2-Di(methoxycarbonyl)-1,10b-dihydropyrolo[2,1-a]isoquinolin-3-yl- (10H-phenothiazin-10-yl)-1-methanone","","- C29 H22 N2 O5 S -","- C29 H22 N2 O5 S -","- C232 H176 N16 O40 S8 -","8","1","","Elena Bâcu; Dalila Samson-Belei; Guy Nowogrocki; Axel Couture; Pierre Grandclaudon","Benzoindolizine derivatives of N-acylphenothiazine. Synthesis and characterization","Org. Biomol. Chem.","2003","1","13","2377","2382","10.1039/b302662k","","","0.71073","MoKα","","0.0611","0.0459","","","0.1219","0.1295","","","","","","1.121","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151419","20.18","0.004","18.259","0.004","14.878","0.003","90","","125.498","0.003","90","","4463.1","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1-ethoxycarbonyl-2,3-dihydropyrolo(2,1-a)isoquinolin-3-yl- (10H-phenothiazin-10-yl)-1-methanone","1-ethoxycarbonyl-2,3-dihydropyrolo[2,1-a]isoquinolin-3-yl- (10H-phenothiazin-10-yl)-1-methanone","","- C28 H22 N2 O3 S -","- C28 H22 N2 O3 S -","- C224 H176 N16 O24 S8 -","8","1","","Elena Bâcu; Dalila Samson-Belei; Guy Nowogrocki; Axel Couture; Pierre Grandclaudon","Benzoindolizine derivatives of N-acylphenothiazine. Synthesis and characterization","Org. Biomol. Chem.","2003","1","13","2377","2382","10.1039/b302662k","","","0.71073","MoKα","","0.0705","0.0501","","","0.1291","0.1394","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151420","11.16","0.004","28.552","0.009","9.773","0.004","90","","108.615","0.005","90","","2951.2","1.9","173.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H23 Cl2 F6 N2 O2 P S -","- C32 H23 Cl F6 N O P S -","- C128 H92 Cl4 F24 N4 O4 P4 S4 -","4","1","","Ito, Shunji; Kubo, Takahiro; Kondo, Mao; Kabuto, Chizuko; Morita, Noboru; Asao, Toyonobu; Fujimori, Kunihide; Watanabe, Masataka; Harada, Nobuyuki; Yasunami, Masafumi","Synthesis, stability and bonding situation of tris-, bis- and mono[9-(azuleno[1,2-b]thienyl)]methyl cationsElectronic supplementary information (ESI) available: CV waves of compounds 7a, 8a and 9a, redox details of compounds 7a,b, 8a,b, and 9a,b along with those of 4a, 5a and 6a, ORTEP drawings and details of the X-ray analyses of compounds 2b and 9b and NMR details of the compounds reported. See http://www.rsc.org/suppdata/ob/b3/b302688d/","Organic & Biomolecular Chemistry","2003","1","14","2572","","10.1039/b302688d","","","0.7107","MoKα","","0.0692","0.0411","","","0.0816","0.0916","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151421","9.228","0.004","6.064","0.002","22.113","0.009","90","","106.348","0.005","90","","1187.4","0.8","173.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 S -","- C15 H14 S -","- C60 H56 S4 -","4","1","","Ito, Shunji; Kubo, Takahiro; Kondo, Mao; Kabuto, Chizuko; Morita, Noboru; Asao, Toyonobu; Fujimori, Kunihide; Watanabe, Masataka; Harada, Nobuyuki; Yasunami, Masafumi","Synthesis, stability and bonding situation of tris-, bis- and mono[9-(azuleno[1,2-b]thienyl)]methyl cationsElectronic supplementary information (ESI) available: CV waves of compounds 7a, 8a and 9a, redox details of compounds 7a,b, 8a,b, and 9a,b along with those of 4a, 5a and 6a, ORTEP drawings and details of the X-ray analyses of compounds 2b and 9b and NMR details of the compounds reported. See http://www.rsc.org/suppdata/ob/b3/b302688d/","Organic & Biomolecular Chemistry","2003","1","14","2572","","10.1039/b302688d","","","0.7107","MoKα","","0.0458","0.0356","","","0.0873","0.0928","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151422","10.031","0.003","27.595","0.006","11.908","0.005","90","","124.13","0.05","90","","2728","2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2- thienyl)pyrrole/toluene complex","","","- C63 H30 N14 S4 -","- C63 H22 N14 S4 -","- C126 H44 N28 S8 -","2","0.5","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.5418","CuKα","","0.077","0.051","","0.116","0.11","0.111","","","1.457","1.012","1.012","1.022","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151423","9.935","0.003","27.547","0.01","12.211","0.006","90","","124.93","0.05","90","","2740","3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2-thienyl)pyrrole/p- xylene complex","","","- C64 H32 N14 S4 -","- C64 H32 N14 S4 -","- C128 H64 N28 S8 -","2","0.5","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.54178","CuKα","","0.112","0.061","","0.153","0.132","0.134","","","2.516","0.978","0.978","1.018","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151424","9.979","0.003","27.55","0.006","12.035","0.005","90","","124.31","0.05","90","","2733","2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2- thienyl)pyrrole/anisole complex","","","- C63 H30 N14 O S4 -","- C63.6 H22 N14 O1.3 S4 -","- C127.2 H44 N28 O2.6 S8 -","2","0.5","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.54178","CuKα","","0.059","0.042","","0.089","0.087","0.087","","","1.44","1.008","1.008","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151425","12.38","0.007","27.61","0.02","16.338","0.01","90","","93.22","0.05","90","","5576","6","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2-thienyl)pyrrole/m- dimethoxybenzene complex","","","- C64 H32 N14 O2 S4 -","- C64 H32 N14 O2 S4 -","- C256 H128 N56 O8 S16 -","4","1","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.54178","CuKα","","0.089","0.053","","0.117","0.11","0.111","","","1.615","1.001","1.001","1.04","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151426","9.829","0.005","27.691","0.01","12.488","0.007","90","","125.32","0.06","90","","2773","3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2-thienyl)pyrrole/p- dimethoxybenzene complex","","","- C64 H32 N14 O2 S4 -","- C64 H32 N14 O2 S4 -","- C128 H64 N28 O4 S8 -","2","0.5","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.54178","CuKα","","0.064","0.045","","0.091","0.088","0.089","","","1.568","1.004","1.004","1.003","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151427","10.168","0.006","27.708","0.012","11.785","0.011","90","","124.03","0.09","90","","2752","4","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2-thienyl)pyrrole/indene complex","","","- C65 H30 N14 S4 -","- C65 H22 N14 S4 -","- C130 H44 N28 S8 -","2","0.5","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.54178","CuKα","","0.079","0.064","","0.213","0.212","0.212","","","1.428","1.011","1.011","1.006","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151428","15.087","0.002","6.443","0.002","16.736","0.002","90","","106.84","0.01","90","","1557.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C64 H68 N4 O12 S8 -","4","1","","Aggarwal, Varinder K.; Grainger, Richard S.; Newton, Gary K.; Spargo, Peter L.; Hobson, Adrian D.; Adams, Harry","Highly diastereoselective 1,3-dipolar cycloaddition reactions of trans-2-methylene-1,3-dithiolane 1,3-dioxide with 3-oxidopyridinium and 3-oxidopyrylium betaines: a route to the tropane skeleton","Organic & Biomolecular Chemistry","2003","1","11","1884","","10.1039/b302834h","","","0.71073","MoKα","","0.0538","0.0418","","0.1117","0.103","","","","1.075","1.109","1.109","","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151429","21.864","0.009","6.091","0.003","20.852","0.009","90","","109.83","0.03","90","","2612","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C112 H176 O32 -","8","1","","Jean-François Berrien; Olivier Provot; Joëlle Mayrargue; Michel Coquillay; Liliane Cicéron; Frédérick Gay; Martin Danis; Anne Robert; Bernard Meunier","Alkylation of manganese(II) tetraphenylporphyrin by a synthetic antimalarial trioxane","Org. Biomol. Chem.","2003","1","16","2859","2864","10.1039/b302835f","","","0.71073","MoKα","","0.1045","0.0502","","","0.13","0.1542","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151430","19.555","0.003","19.555","0.003","15.475","0.004","90","","90","","120","","5124.8","1.7","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C30 H39 N3 O6 S3 -","- C30 H39 N3 O6 S3 -","- C180 H234 N18 O36 S18 -","6","1","","Stones, Graham; Argouarch, Gilles; Kennedy, Alan R.; Sherrington, David C.; Gibson, Colin L.","The synthesis of an isopropyl substituted 1,4,7-triazacyclononane via an in situ sequential macrocyclisation method","Organic & Biomolecular Chemistry","2003","1","13","2357","","10.1039/b302887a","","","0.71069","MoKα","","0.1141","0.046","","","0.1105","0.1292","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151431","8.375","0.001","7.653","0.001","9.691","0.001","90","","100.634","0.001","90","","610.47","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(3aS,11bS,11cR)-3a,4,5,11c-Tetrahydro-10b-hydroxy-furo-(3',2':3,4) pyrido(2,1-a)isoindol-2(1H),7(11bH)-dione","(3aS,11bS,11cR)-3a,4,5,11c-Tetrahydro-10b-hydroxy-furo-[3',2' :3,4] pyrido[2,1-a]isoindol-2(1H),7(11bH)-dione","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Hunter, Roger; Richards, Philip","Stereoselective tetrapyrido[2,1-a]isoindolone synthesis via carbanionic and radical intermediates: a model study for the Tacaman alkaloid D/E ring fusionElectronic supplementary information (ESI) available: Experimental details for compounds 21?23. See http://www.rsc.org/suppdata/ob/b3/b303031h/","Organic & Biomolecular Chemistry","2003","1","13","2348","","10.1039/b303031h","","","0.71073","MoKα","","0.0338","0.0291","","","0.0675","0.0701","","","","","","1.032","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7151432","12.579","0.002","11.92","0.002","12.202","0.002","90","","92.68","0.01","90","","1827.6","0.5","293.2","","293.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","?","- C24 H14 N2 Te -","- C96 H56 N8 Te4 -","4","1","","Levy, Amalia; Cohen, Shmuel; Agranat, Israel","Overcrowded 1,8-diazafluorenylidene-chalcoxanthenes. Introducing nitrogens at the fjord regions of bistricyclic aromatic enes","Organic & Biomolecular Chemistry","2003","1","15","2755","","10.1039/b303041e","","","0.7107","MoKalpha","","","0.047","","","0.065","","","","","2.08","2.08","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151433","18.713","0.003","9.553","0.002","4.831","0.001","90","","90","","90","","863.6","0.3","293.2","","293.2","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","?","- C24 H14 N2 Se -","- C48 H28 N4 Se2 -","2","0.5","","Levy, Amalia; Cohen, Shmuel; Agranat, Israel","Overcrowded 1,8-diazafluorenylidene-chalcoxanthenes. Introducing nitrogens at the fjord regions of bistricyclic aromatic enes","Organic & Biomolecular Chemistry","2003","1","15","2755","","10.1039/b303041e","","","0.7107","MoKalpha","","","0.036","","","0.042","","","","","1.4","1.4","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151434","18.811","0.004","9.702","0.003","4.639","0.001","90","","90","","90","","846.6","0.4","293.2","","293.2","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","?","- C24 H14 N2 S -","- C48 H28 N4 S2 -","2","0.5","","Levy, Amalia; Cohen, Shmuel; Agranat, Israel","Overcrowded 1,8-diazafluorenylidene-chalcoxanthenes. Introducing nitrogens at the fjord regions of bistricyclic aromatic enes","Organic & Biomolecular Chemistry","2003","1","15","2755","","10.1039/b303041e","","","1.5418","CuKalpha","","","0.038","","","0.05","","","","","2.7","2.7","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151435","7.448","0.001","15.243","0.001","31.849","0.001","90","","90","","90","","3615.8","0.6","293","2","293","2","","","","","","","","3","P c n b","-P 2b 2ac","60","","bisnaphthalene-2,3-diol 2,3-di(p-methylbenzoyloxy)naphthalene complex","","- C46 H36 O8 -","- C46 H36 O8 -","- C184 H144 O32 -","4","0.5","","Nakamatsu, Seiken; Yoshizawa, Kazuhiro; Toyota, Sinji; Toda, Fumio; Matijasic, Ivanka","Isolation of an inclusion complex of naphthol and its benzoate as an intermediate in the solvent-free benzoylation reaction of naphthol","Organic & Biomolecular Chemistry","2003","1","13","2231","","10.1039/b303060c","","","1.5418","CuKα","","0.058","0.0434","","","0.116","0.1272","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151436","17.7588","0.001","7.8904","0.0004","13.1044","0.0007","90","","91.161","0.003","90","","1835.86","0.17","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 O8 -","- C18 H30 O8 -","- C72 H120 O32 -","4","0.5","","Bartlett, Stephen; Hodgson, Robert; Holland, Joanne M.; Jones, Matthew; Kilner, Colin; Nelson, Adam; Warriner, Stuart","Exploiting predisposition in the stereoselective synthesis of mono-, bi- and tetracyclic oxygen heterocycles: Equilibration between, and trapping of, alternative di- and tetraacetals","Organic & Biomolecular Chemistry","2003","1","13","2393","","10.1039/b303089j","","","0.71073","MoKα","","0.068","0.0481","","","0.1274","0.1395","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151437","10.5524","0.0002","10.8377","0.0002","16.4357","0.0004","90","","101.829","0.0008","90","","1839.73","0.07","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3E,4E)-4-(dimethylamino)-5-[(E)-phenyldiazenyl]pent-4-ene-2,3-dione 3-(phenylhydrazone)","","- C19 H21 N5 O -","- C19 H21 N5 O -","- C76 H84 N20 O4 -","4","1","","Petr Šim°unek; Valerio Bertolasi; Antonín Lyčka; Vladimír Macháček","An NMR and X-ray study of the structure of the azo coupling product of 4-dimethylaminopent-3-en-2-one and benzenediazonium-tetrafluoroborate","Org. Biomol. Chem.","2003","1","18","3250","3256","10.1039/b303206j","","","0.7107","MoKα","","0.0873","0.054","","","0.1307","0.1634","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151438","9.2515","0.0001","28.6084","0.0004","9.4481","0.0001","90","","99.928","0.0006","90","","2463.19","0.05","150","","150","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N2 O4 -","- C27 H32 N2 O4 -","- C108 H128 N8 O16 -","4","2","","Elena Buñuel; Steven D. Bull; Stephen G. Davies; A. Christopher Garner; Edward D. Savory; Andrew D. Smith; Richard J. Vickers; David J. Watkin","Asymmetric synthesis of substituted 1-aminocyclopropane-1-carboxylic acids via diketopiperazine methodology","Org. Biomol. Chem.","2003","1","14","2531","2542","10.1039/b303348a","","","0.71073","MoKα","","0.0657","0.0657","","0.1407","0.1407","0.1407","","","","","","0.9234","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151439","10.4793","0.0002","10.531","0.0003","12.038","0.0004","90","","96.237","0.001","90","","1320.62","0.06","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,3R,6S)-4,7-bis(4-methoxybenzyl)-6-isopropyl-1-phenyl-4,7-diaza- spiro[2.5]octane-5,8-dione","","- C31 H34 N2 O4 -","- C31 H34 N2 O4 -","- C62 H68 N4 O8 -","2","1","","Elena Buñuel; Steven D. Bull; Stephen G. Davies; A. Christopher Garner; Edward D. Savory; Andrew D. Smith; Richard J. Vickers; David J. Watkin","Asymmetric synthesis of substituted 1-aminocyclopropane-1-carboxylic acids via diketopiperazine methodology","Org. Biomol. Chem.","2003","1","14","2531","2542","10.1039/b303348a","","","0.71073","MoKα","","","0.0507","","","","0.0496","","","","","","1.0366","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151440","10.066","0.001","12.92","0.002","19.424","0.002","90","","90","","90","","2526.1","0.5","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CuCl2(1-Np-box)","2,2'-Isopropylidenebis(4-(1-naphthyl)-2-oxazoline) -copper-dichloride","","- C29 H26 Cl2 Cu N2 O2 -","- C29 H26 Cl2 Cu N2 O2 -","- C116 H104 Cl8 Cu4 N8 O8 -","4","1","","Hester L. van Lingen; Wei Zhuang; Tore Hansen; Floris P. J. T. Rutjes; Karl Anker Jørgensen","Formation of optically active chromanes by catalytic asymmetric tandem oxa-Michael addition‒Friedel‒Crafts alkylation reactions","Org. Biomol. Chem.","2003","1","11","1953","1958","10.1039/b303353h","","","0.71073","MoKα","","","0.028","","","","0.035","","","","","","1.21","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151441","10.2389","0.0009","13.089","0.001","19.466","0.002","90","","90","","90","","2608.8","0.4","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CuBr2(1-Np-box)","2,2'-Isopropylidenebis(4-(1-naphthyl)-2-oxazoline) -copper-dibromide","","- C29 H26 Br2 Cu N2 O2 -","- C29 H26 Br2 Cu N2 O2 -","- C116 H104 Br8 Cu4 N8 O8 -","4","1","","Hester L. van Lingen; Wei Zhuang; Tore Hansen; Floris P. J. T. Rutjes; Karl Anker Jørgensen","Formation of optically active chromanes by catalytic asymmetric tandem oxa-Michael addition‒Friedel‒Crafts alkylation reactions","Org. Biomol. Chem.","2003","1","11","1953","1958","10.1039/b303353h","","","0.71073","MoKα","","","0.033","","","","0.035","","","","","","0.9","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151442","15.388","0.005","7.129","0.001","16.839","0.006","90","","112.56","0.03","90","","1705.9","0.9","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.061","0.0421","","","0.1032","0.1147","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151443","16.441","0.002","5.981","0.002","18.722","0.002","90","","109.47","0.02","90","","1735.7","0.7","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.0405","0.036","","","0.1014","0.1048","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151444","9.654","0.001","6.026","0.002","13.044","0.002","90","","107.09","0.01","90","","725.3","0.3","130","0.2","130","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 Cl3 O2 -","- C12 H19 Cl3 O2 -","- C24 H38 Cl6 O4 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.0382","0.0371","","","0.0966","0.0988","","","","","","0.846","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151445","6.9757","0.0003","36.6182","0.0008","7.0342","0.0002","90","","107.555","0.001","90","","1713.12","0.1","130","0.2","130","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Cl N O4 -","- C17 H22 Cl N O4 -","- C68 H88 Cl4 N4 O16 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.077","0.0417","","","0.0865","0.0947","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151446","6.179","0.002","11.071","0.003","11.13","0.002","100.57","0.02","90.17","0.02","95.16","0.02","745.3","0.3","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0531","0.0439","","","0.1252","0.1332","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151447","6.237","0.0001","12.7728","0.0002","20.4391","0.0004","90","","97.722","0.001","90","","1613.49","0.05","130","0.2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0697","0.0463","","","0.0943","0.1033","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151448","24.7358","0.0003","6.2022","0.0001","20.9387","0.0004","90","","100.487","0.001","90","","3158.68","0.09","130","2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O3 S -","- C16 H24 O3 S -","- C128 H192 O24 S8 -","8","2","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0816","0.0443","","","0.0989","0.1112","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151449","6.268","0.0014","10.409","0.0015","13.19","0.0019","94.3","0.011","95.04","0.015","98.83","0.015","843.6","0.3","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C34 H52 O6 S2 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.0442","0.0375","","","0.0954","0.1009","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151450","6.767","0.002","9.556","0.003","10.887","0.003","99.43","0.03","90.68","0.02","105.38","0.02","668.5","0.4","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.0359","0.0355","","","0.0896","0.0898","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151451","29.1896","0.0006","7.0518","0.0001","15.415","0.0003","90","","93.717","0.001","90","","3166.34","0.1","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C136 H144 N16 O48 -","8","2","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0797","0.0481","","","0.1377","0.168","","","","","","1.137","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151452","7.539","0.003","8.479","0.002","12.043","0.003","75.3","0.02","76.86","0.02","88.83","0.03","724.6","0.4","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.042","0.0402","","","0.1096","0.1113","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151453","11.7354","0.0009","11.125","0.001","11.132","0.001","90","","104.382","0.007","90","","1407.8","0.2","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C64 H80 O12 S4 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.0355","0.0308","","","0.0781","0.0813","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151454","9","0.002","9.594","0.004","26.225","0.007","90","","90","","90","","2264.4","1.2","130","0.2","130","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O3 S -","- C11 H18 O3 S -","- C88 H144 O24 S8 -","8","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0545","0.0375","","","0.0918","0.1012","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151455","10.1245","0.0001","12.5511","0.0002","12.4094","0.0001","90","","106.86","0.001","90","","1509.13","0.03","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C68 H88 O12 S4 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0436","0.0377","","","0.1143","0.1199","","","","","","0.997","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151456","13.5954","0.0002","9.5961","0.0001","9.123","0.0002","90","","108.318","0.001","90","","1129.9","0.03","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 S2 -","- C11 H14 S2 -","- C44 H56 S8 -","4","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0573","0.0432","","","0.1086","0.1183","","","","","","1.026","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151457","20.021","0.0017","20.021","0.0017","5.685","0.0006","90","","90","","90","","2278.8","0.4","200","2","200","2","","","","","","","","3","I -4","I -4","82","","","","- C11 H14 S2 -","- C11 H14 S2 -","- C88 H112 S16 -","8","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0674","0.0404","","","0.0758","0.0846","","","","","","1.02","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151458","4.5402","0.0001","13.4819","0.0002","9.713","0.0002","90","","96.274","0.001","90","","590.98","0.02","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C12 H16 S2 -","- C12 H16 S2 -","- C24 H32 S4 -","2","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0254","0.0238","","","0.062","0.063","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151459","18.2162","0.0002","9.0748","0.0001","16.3181","0.0002","90","","103.177","0.001","90","","2626.49","0.05","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 S2 -","- C13 H18 S2 -","- C104 H144 S16 -","8","2","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0575","0.0379","","","0.0925","0.1098","","","","","","1.056","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151460","9.1023","0.0002","16.8216","0.0003","9.1905","0.0002","90","","90","","90","","1407.21","0.05","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H20 S2 -","- C14 H20 S2 -","- C56 H80 S8 -","4","0.5","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0425","0.0337","","","0.0878","0.0943","","","","","","1.028","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151461","14.4829","0.0002","10.9233","0.0002","9.0174","0.0001","90","","94.972","0.001","90","","1421.19","0.04","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 S2 -","- C14 H20 S2 -","- C56 H80 S8 -","4","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0368","0.0307","","","0.0802","0.0844","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151462","4.5938","0.0002","17.1826","0.0009","9.9664","0.0005","90","","93.166","0.001","90","","785.48","0.07","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H24 S2 -","- C16 H24 S2 -","- C32 H48 S4 -","2","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0416","0.0334","","","0.0786","0.0889","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151463","15.4224","0.0013","15.4224","0.0013","4.8824","0.0006","90","","90","","90","","1161.3","0.2","200","2","200","2","","","","","","","","3","P -4","P -4","81","","","","- C11 H14 Se2 -","- C11 H14 Se2 -","- C44 H56 Se8 -","4","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0563","0.0426","","","0.1026","0.1111","","","","","","1.074","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151464","9.8259","0.0003","4.7316","0.0001","14.5466","0.0004","90","","103.726","0.001","90","","656.99","0.03","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 Te2 -","- C12 H16 Te2 -","- C24 H32 Te4 -","2","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0444","0.0335","","","0.079","0.0853","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151465","7.005","0.0002","12.8848","0.0004","13.7023","0.0005","91.151","0.001","94.66","0.001","90.007","0.002","1232.4","0.07","200","","200","","","","","","","","?","4","P -1","-P 1","2","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","2","","Easton, Christopher J.; Edwards, Alison J.; McNabb, Stephen B.; Merrett, Martin C.; O'Connell, Jenny L.; Simpson, Gregory W.; Simpson, Jamie S.; Willis, Anthony C.","Allylic halogenation of unsaturated amino acidsElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 14?20 and 24?26. See http://www.rsc.org/suppdata/ob/b3/b303719c/","Organic & Biomolecular Chemistry","2003","1","14","2492","","10.1039/b303719c","","","0.71069","MoKα","","","0.0456","","","","0.0507","","","","","","1.0651","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151466","7.4491","0.0005","13.6937","0.001","13.8646","0.001","90","","91.317","0.003","90","","1413.9","0.17","200","","","","","","","","","","Local laboratory","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 Cl2 N O4 -","- C14 H11 Cl2 N O4 -","- C56 H44 Cl8 N4 O16 -","4","1","","Easton, Christopher J.; Edwards, Alison J.; McNabb, Stephen B.; Merrett, Martin C.; O'Connell, Jenny L.; Simpson, Gregory W.; Simpson, Jamie S.; Willis, Anthony C.","Allylic halogenation of unsaturated amino acidsElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 14?20 and 24?26. See http://www.rsc.org/suppdata/ob/b3/b303719c/","Organic & Biomolecular Chemistry","2003","1","14","2492","","10.1039/b303719c","","","0.71073","MoKα","","","0.0864","","","","0.0944","","","","","","1.0057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151467","11.559","0.0003","11.8196","0.0003","15.3885","0.0004","90","","90","","90","","2102.42","0.09","150","","150","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O7 -","- C21 H27 N O7 -","- C84 H108 N4 O28 -","4","1","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: versatile regioselective and diastereoselective synthesis by enamine reduction and subsequent alkylation","Organic & Biomolecular Chemistry","2003","1","11","1838","","10.1039/b303789d","","","0.71073","MoKα","","","0.0305","","","","0.0346","","","","","","1.0751","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151468","5.8063","0.0002","16.1078","0.0002","22.717","0.0004","90","","90","","90","","2124.65","0.09","150","","150","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C88 H116 N4 O28 -","4","1","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: versatile regioselective and diastereoselective synthesis by enamine reduction and subsequent alkylation","Organic & Biomolecular Chemistry","2003","1","11","1838","","10.1039/b303789d","","","0.71073","MoKα","","","0.0414","","","","0.0492","","","","","","1.0012","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151469","6.9448","0.0005","20.84","0.0015","30.325","0.002","90","","90","","90","","4388.9","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Br Cl N O4 -","- C10 H15 Br Cl N O4 -","- C120 H180 Br12 Cl12 N12 O48 -","12","3","","Paul J. Dransfield; Paul M. Gore; Ivan Prokeš; Michael Shipman; Alexandra M. Z. Slawin","Preparation and reactivity of imino glycals: stereocontrolled, divergent approach to imino sugars","Org. Biomol. Chem.","2003","1","15","2723","2733","10.1039/b303817c","","","0.71073","MoKα","","0.081","0.0349","","","0.053","0.0606","","","","","","0.733","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151470","14.089","0.003","6.305","0.002","25.875","0.005","90","","90","","90","","2298.5","1","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Anwar, Muhammed; Bailey, Jonathan H.; Dickinson, Laura C.; Edwards, Hermia J.; Goswami, Rajesh; Moloney, Mark G.","Pyrrolidinones derived from (S)-pyroglutamic acid: penmacric acid and analoguesPart V. For parts I?IV see refs. 20?22, 24","Organic & Biomolecular Chemistry","2003","1","13","2364","","10.1039/b303924b","","","1.5418","CuKα","","","0.1136","","","","0.1407","","","","","","0.9854","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151471","7.348","0.002","8.642","0.002","9.832","0.003","103.7","0.02","109.61","0.02","97.53","0.02","556.1","0.3","296","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C11 H13 Cl N2 O -","- C11 H13 Cl N2 O -","- C22 H26 Cl2 N4 O2 -","2","1","","Ebner, Sieglinde; Wallfisch, Bianca; Andraos, John; Aitbaev, Ilyas; Kiselewsky, Michael; Bernhardt, Paul V.; Kollenz, Gert; Wentrup, Curt","N-Aminopyrroledione?hydrazonoketene?pyrazolium oxide?pyrazolone rearrangements and pyrazolone tautomerismElectronic supplementary information (ESI) available: calculated and observed IR spectra of 8a and X-ray structure, packing diagram, bond lengths and angles for compound 14. See http://www.rsc.org/suppdata/ob/b3/b304070d","Organic & Biomolecular Chemistry","2003","1","14","2550","","10.1039/b304070d","","x-ray","0.71073","MoKα","","0.1272","0.0692","","","0.1896","0.2244","","","","","","1.063","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151472","7.2668","0.0007","8.1141","0.0009","12.9245","0.0015","87.864","0.009","80.786","0.009","84.422","0.009","748.5","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Br2 N2 O Zn -","- C13 H12 Br2 N2 O Zn -","- C26 H24 Br4 N4 O2 Zn2 -","2","1","","Merino, Pedro; Tejero, Tomas; Laguna, Mariano; Cerrada, Elena; Moreno, Ana; Lopez, Jose A.","An investigation of the Lewis acid mediated 1,3-dipolar cycloaddition between N-benzyl-C-(2-pyridyl)nitrone and allylic alcohol. Direct entry to isoxazolidinyl C-nucleosidesElectronic supplementary information (ESI) available: optimized geometries (PDB format). See http://www.rsc.org/suppdata/ob/b3/b304112c/","Organic & Biomolecular Chemistry","2003","1","13","2336","","10.1039/b304112c","","","0.71073","MoKα","","0.0513","0.0375","","","0.0942","0.1024","","","","","","1.028","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151473","10.978","0.002","11.643","0.002","12.334","0.002","100.93","0.01","100.53","0.02","111.47","0.01","1384.6","0.5","","","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H50 Ag2 Cl2 N4 O10 P2 -","- C52 H30 Ag2 Cl2 N4 O10 P2 -","- C52 H30 Ag2 Cl2 N4 O10 P2 -","1","0.5","","Merino, Pedro; Tejero, Tomas; Laguna, Mariano; Cerrada, Elena; Moreno, Ana; Lopez, Jose A.","An investigation of the Lewis acid mediated 1,3-dipolar cycloaddition between N-benzyl-C-(2-pyridyl)nitrone and allylic alcohol. Direct entry to isoxazolidinyl C-nucleosidesElectronic supplementary information (ESI) available: optimized geometries (PDB format). See http://www.rsc.org/suppdata/ob/b3/b304112c/","Organic & Biomolecular Chemistry","2003","1","13","2336","","10.1039/b304112c","","","0.71073","MoKα","","0.1401","0.0657","","","0.1415","0.1749","","","","","","1.023","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7151474","10.2189","0.0003","15.3206","0.0005","27.7208","0.0006","90","","90","","90","","4340","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N3 O5 -","- C15 H25 N3 O5 -","- C120 H200 N24 O40 -","8","2","","Hitchcock, Peter B.; Papadopoulos, Konstantinos; Young, Douglas W.","?-Lactams as versatile synthons for homochiral ibotenate analogues with potential for activity at glutamate receptors1","Organic & Biomolecular Chemistry","2003","1","15","2670","","10.1039/b304607a","","","0.71073","MoKα","","0.0793","0.0657","","","0.1961","0.2092","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151475","8.994","0.002","8.994","0.002","43.134","0.006","90","","90","","120","","3021.7","1","293","2","293","2","","","","","","","synthesis as described","4","P 61","P 61","169","","","","- C18 H25 N O7 -","- C18 H25 N O7 -","- C108 H150 N6 O42 -","6","1","","Peter B. Hitchcock; Shazia Rahman (née Masood); Douglas W. Young","An alternative to the use of δ-lactam urethanes in the “ring switch” approach to higher homologues of AMPA-type glutamate antagonists","Org. Biomol. Chem.","2003","1","15","2682","2688","10.1039/b304609p","","x-ray","0.71073","MoKα","","0.0616","0.0451","","","0.1081","0.1198","","","","","","0.968","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151476","7.3952","0.0004","22.4561","0.0011","13.7894","0.0009","90","","106.786","0.004","90","","2192.4","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Wood","","","- C2 K N O2 S2 -","- C2 K N O2 S2 -","- C32 K16 N16 O32 S32 -","16","4","","Wood, Mark E.; Cane-Honeysett, Daniel J.; Dowle, Michael D.; Coles, Simon J.; Hursthouse, Michael B.","Synthetic and structural studies on 1,2,4-dithiazolidine-3,5-dione derivatives","Organic & Biomolecular Chemistry","2003","1","17","3015","","10.1039/b305096c","","","0.71073","MoKα","","0.0952","0.0593","","","0.1596","0.1847","","","","","","1.131","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7151477","6.8589","0.0011","10.727","0.002","20.398","0.003","90","","90","","90","","1500.8","0.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C64 H104 O8 -","4","1","","Anderson, James C.; Blake, Alexander J.; Graham, Jonathan P.; Wilson, Claire","Investigation of the asymmetric ionic Diels?Alder reaction for the synthesis of cis-decalins","Organic & Biomolecular Chemistry","2003","1","16","2877","","10.1039/b305116a","","","0.71073","MoKα","","0.0485","0.0423","","","0.115","0.12","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151478","5.9429","0.001","12.548","0.002","20.128","0.004","90","","90","","90","","1501","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","1","","Anderson, James C.; Blake, Alexander J.; Graham, Jonathan P.; Wilson, Claire","Investigation of the asymmetric ionic Diels?Alder reaction for the synthesis of cis-decalins","Organic & Biomolecular Chemistry","2003","1","16","2877","","10.1039/b305116a","","","0.71073","MoKα","","0.0479","0.0365","","","0.0834","0.0876","","","","","","0.98","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151479","6.1489","0.0009","14.787","0.002","23.008","0.003","90","","90","","90","","2092","0.5","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","","Anderson, James C.; Blake, Alexander J.; Graham, Jonathan P.; Wilson, Claire","Investigation of the asymmetric ionic Diels?Alder reaction for the synthesis of cis-decalins","Organic & Biomolecular Chemistry","2003","1","16","2877","","10.1039/b305116a","","","0.71073","MoKα","","0.1432","0.0934","","","0.1562","0.1767","","","","","","1.129","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151480","14.28","0.0004","25.481","0.002","10.83","0.0003","92.549","0.008","111.862","0.003","85.841","0.009","3647","0.3","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H57 Cl N2 P2 S -","- C31 H57 Cl N2 P2 S -","- C124 H228 Cl4 N8 P8 S4 -","4","2","","Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki","Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene","Organic & Biomolecular Chemistry","2003","1","17","3054","","10.1039/b305216h","","","0.7107","MoKα","","","0.1372","","","","0.1851","","","","","","1.758","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151481","11.0215","0.0006","21.108","0.001","16.2925","0.0005","90","","92.524","0.002","90","","3786.6","0.3","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C31 H57 Cl3 N2 P2 Pt S -","- C31 H57 Cl3 N2 P2 Pt S -","- C124 H228 Cl12 N8 P8 Pt4 S4 -","4","1","","Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki","Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene","Organic & Biomolecular Chemistry","2003","1","17","3054","","10.1039/b305216h","","","0.7107","MoKα","","","0.0406","","","","0.0542","","","","","","1.571","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151482","20.7395","0.0007","16.555","0.0005","11.8561","0.0006","90","","90.06","0.002","90","","4070.7","0.3","296.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H61 Cl3 N2 P2 Pt S -","- C34.5 H57 Cl3 N2 P2 Pt S -","- C138 H228 Cl12 N8 P8 Pt4 S4 -","4","1","","Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki","Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene","Organic & Biomolecular Chemistry","2003","1","17","3054","","10.1039/b305216h","","","0.7107","MoKα","","","0.0555","","","","0.0651","","","","","","1.466","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151483","7.4271","0.0007","9.2771","0.0009","9.6627","0.0009","113.68","0.001","106.518","0.002","96.026","0.002","566.05","0.09","173","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Ihmels, Heiko; Faulhaber, Katja; Wissel, Kathrin; Viola, Giampietro; Vedaldi, Daniela","6-Aminoacridizinium bromide: a fluorescence probe which lights up in AT-rich regions of DNA","Organic & Biomolecular Chemistry","2003","1","17","2999","3001","10.1039/b305439j","","","0.71073","MoKα","","0.0466","0.046","","","0.1302","0.1309","","","","","","1.19","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151484","14.396","0.003","8.9008","0.0018","15.043","0.003","90","","105.83","0.03","90","","1854.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O5 S -","- C20 H20 N2 O5 S -","- C80 H80 N8 O20 S4 -","4","1","","Moody, Christopher J.; Slawin, Alexandra M. Z.; Willows, David","Dirhodium(ii) tetraacetate catalysed reactions of diazo thioamides: isolation and cycloaddition of anhydro-4-hydroxy-1,3-thiazolium hydroxides (thioisom�nchnones), an approach to analogues of dehydrogliotoxin","Organic & Biomolecular Chemistry","2003","1","15","2716","","10.1039/b305698h","","","1.54178","CuKα","","0.0627","0.0454","","","0.123","0.1358","","","","","","1.033","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151485","7.8459","0.0007","9.6884","0.0009","24.179","0.002","90","","96.467","0.002","90","","1826.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O6 S -","- C19 H17 N O6 S -","- C76 H68 N4 O24 S4 -","4","1","","Moody, Christopher J.; Slawin, Alexandra M. Z.; Willows, David","Dirhodium(ii) tetraacetate catalysed reactions of diazo thioamides: isolation and cycloaddition of anhydro-4-hydroxy-1,3-thiazolium hydroxides (thioisom�nchnones), an approach to analogues of dehydrogliotoxin","Organic & Biomolecular Chemistry","2003","1","15","2716","","10.1039/b305698h","","","0.71073","MoKα","","0.0926","0.0456","","","0.1062","0.1253","","","","","","0.925","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151486","8.48","0.04","18.39","0.09","10.41","0.05","90","","99.58","0.05","90","","1601","13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Moody, Christopher J.; Slawin, Alexandra M. Z.; Willows, David","Dirhodium(ii) tetraacetate catalysed reactions of diazo thioamides: isolation and cycloaddition of anhydro-4-hydroxy-1,3-thiazolium hydroxides (thioisom�nchnones), an approach to analogues of dehydrogliotoxin","Organic & Biomolecular Chemistry","2003","1","15","2716","","10.1039/b305698h","","","0.71073","MoKα","","0.163","0.0654","","","0.1506","0.1889","","","","","","0.976","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151487","5.2341","0.0002","12.3751","0.0005","14.2381","0.0007","90","","97.688","0.001","90","","913.95","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 O7 S -","- C16 H24 O7 S -","- C32 H48 O14 S2 -","2","1","","Karisalmi, Kaisa; Rissanen, Kari; Koskinen, Ari M. P.","An enantioselective synthesis of the C(33)?C(37) fragment of Amphotericin BElectronic supplementary information (ESI) available: Tables S1?S5: crystal data and structure refinement, atomic coordinates and equivalent isotropic displacement parameters, bond lengths and angles, anisotropic displacement parameters and torsion angles for compound 7b. See http://www.rsc.org/suppdata/ob/b3/b305845j/","Organic & Biomolecular Chemistry","2003","1","18","3193","","10.1039/b305845j","","","0.71073","MoKα","","0.0583","0.0435","","","0.103","0.1099","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151488","17.6824","0.0003","17.9641","0.0004","11.6546","0.0003","90","","90","","90","","3702.07","0.14","253","2","253","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(h3-Allyl)[(aS)-2-[4,4-dimethyl-oxazol-2-yl]-2^[$B!G^[(B-diphenylphosphino- 1,1^[$B!G^[(B-binaphthyl]palladium(II) hexafluoroantimonate","","","- C37 H30 F6 N O P Pd Sb -","- C40 H35 F6 N O P Pd Sb -","- C160 H140 F24 N4 O4 P4 Pd4 Sb4 -","4","1","","Hatano, Manabu; Mikami, Koichi","Highly enantioselective alkaloid synthesis via ene-type cyclizations catalyzed by cationic chiral palladium(ii) complexes of PN-ligands with an achiral oxazoline unitElectronic supplementary information (ESI) available: spectral data of substrates, cyclized products and PN-ligands and crystallographic data of Pd complexes. See http://www.rsc.org/suppdata/ob/b3/b305865b/","Organic & Biomolecular Chemistry","2003","1","22","3871","","10.1039/b305865b","","","0.71069","MoKα","","0.038","0.0343","","","0.0793","0.0807","","","","","","1.098","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151489","6.271","0.001","21.359","0.003","6.932","0.001","90","","108.27","0.01","90","","881.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-phenyl-5-bromopyrimidine","2-phenyl-5-bromopyrimidine","","- C10 H7 Br N2 -","- C10 H7 Br N2 -","- C40 H28 Br4 N8 -","4","1","","Hughes, Gregory; Wang, Changsheng; Batsanov, Andrei S.; Fern, Michael; Frank, Stephen; Bryce, Martin R.; Perepichka, Igor F.; Monkman, Andrew P.; Lyons, Benjamin P.","New pyrimidine- and fluorene-containing oligo(arylene)s: synthesis, crystal structures, optoelectronic properties and a theoretical study Electronic supplementary information (ESI) available: experimental synthetic procedures for compounds 4, 9 and 10; HF/6?31G(d,p) and B3LYP/6?31G(d,p) calculated geometries and frontier orbitals for compounds 13E, 14E and 16E?21E. See http://www.rsc.org/suppdata/ob/b3/b305870k/","Organic & Biomolecular Chemistry","2003","1","17","3069","","10.1039/b305870k","","","0.71073","MoKα","","0.0375","0.0287","","","0.0746","0.0786","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151490","7.444","0.002","5.731","0.002","26.932","0.008","90","","92.82","0.01","90","","1147.6","0.6","103","2","103","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","2,5-diphenylpyrimidine","2,5-diphenylpyrimidine","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","0.5","","Hughes, Gregory; Wang, Changsheng; Batsanov, Andrei S.; Fern, Michael; Frank, Stephen; Bryce, Martin R.; Perepichka, Igor F.; Monkman, Andrew P.; Lyons, Benjamin P.","New pyrimidine- and fluorene-containing oligo(arylene)s: synthesis, crystal structures, optoelectronic properties and a theoretical study Electronic supplementary information (ESI) available: experimental synthetic procedures for compounds 4, 9 and 10; HF/6?31G(d,p) and B3LYP/6?31G(d,p) calculated geometries and frontier orbitals for compounds 13E, 14E and 16E?21E. See http://www.rsc.org/suppdata/ob/b3/b305870k/","Organic & Biomolecular Chemistry","2003","1","17","3069","","10.1039/b305870k","","","0.71073","MoKα","","0.0517","0.042","","","0.1141","0.1234","","","","","","1.057","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7151491","10.244","0.003","10.979","0.003","13.52","0.003","93.37","0.01","93.99","0.01","95.14","0.01","1507.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,7-bis(5-bromo-2-pyrimidyl)-9,9-dihexylfluorene","2,7-bis(5-bromo-2-pyrimidyl)-9,9-dihexylfluorene","","- C33 H36 Br2 N4 -","- C33 H36 Br2 N4 -","- C66 H72 Br4 N8 -","2","1","","Hughes, Gregory; Wang, Changsheng; Batsanov, Andrei S.; Fern, Michael; Frank, Stephen; Bryce, Martin R.; Perepichka, Igor F.; Monkman, Andrew P.; Lyons, Benjamin P.","New pyrimidine- and fluorene-containing oligo(arylene)s: synthesis, crystal structures, optoelectronic properties and a theoretical study Electronic supplementary information (ESI) available: experimental synthetic procedures for compounds 4, 9 and 10; HF/6?31G(d,p) and B3LYP/6?31G(d,p) calculated geometries and frontier orbitals for compounds 13E, 14E and 16E?21E. See http://www.rsc.org/suppdata/ob/b3/b305870k/","Organic & Biomolecular Chemistry","2003","1","17","3069","","10.1039/b305870k","","","0.71073","MoKα","","0.1197","0.0941","","","0.2573","0.278","","","","","","1.107","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151492","7.5858","0.0001","8.444","0.0001","43.4801","0.0007","90","","90","","90","","2785.1","0.07","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O7 Si -","- C28 H34 N2 O7 Si -","- C112 H136 N8 O28 Si4 -","4","1","","Fleming, Ian; Maiti, Pranab; Ramarao, Chandrashekar","Stereocontrol of 1,5-related stereocentres using an intermediate silyl group?the diastereoselectivity of nucleophilic attack on a double bond adjacent to a stereogenic centre carrying a silyl group","Organic & Biomolecular Chemistry","2003","1","22","3989","","10.1039/b305880h","","","0.71073","MoKα","","0.0654","0.0423","","","0.0776","0.0853","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151493","7.1067","0.0001","14.8638","0.0004","26.2267","0.0007","90","","90","","90","","2770.39","0.11","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 N2 O7 Si -","- C27 H32 N2 O7 Si -","- C108 H128 N8 O28 Si4 -","4","1","","Fleming, Ian; Maiti, Pranab; Ramarao, Chandrashekar","Stereocontrol of 1,5-related stereocentres using an intermediate silyl group?the diastereoselectivity of nucleophilic attack on a double bond adjacent to a stereogenic centre carrying a silyl group","Organic & Biomolecular Chemistry","2003","1","22","3989","","10.1039/b305880h","","","0.71073","MoKα","","0.057","0.0405","","","0.0825","0.0889","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151494","12.1915","0.0003","15.2706","0.0006","8.8616","0.0003","90","","90","","90","","1649.78","0.09","180","2","180","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H24 O Si -","- C17 H24 O Si -","- C68 H96 O4 Si4 -","4","1","","Fleming, Ian; Maiti, Pranab; Ramarao, Chandrashekar","Stereocontrol of 1,5-related stereocentres using an intermediate silyl group?the diastereoselectivity of nucleophilic attack on a double bond adjacent to a stereogenic centre carrying a silyl group","Organic & Biomolecular Chemistry","2003","1","22","3989","","10.1039/b305880h","","","0.71069","MoKα","","0.0487","0.0333","","0.1175","0.0763","","","","1.044","1.056","1.056","","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151495","6.822","0.001","23.501","0.005","23.73","0.005","90","","90","","90","","3804.5","1.3","293","2","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H24.5 N2 O7.5 -","- C19 H24.5 N2 O7.5 -","- C152 H196 N16 O60 -","8","1","","Lech Kozerski; Bogdan Kamieński; Robert Kawęcki; Zofia Urbanczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Katarzyna Zakrzewska; Kim T. Nielsen; Poul Erik Hansen","Solution and solid state 13C NMR and X-ray studies of genistein complexes with amines. Potential biological function of the C-7, C-5, and C-4'-OH groups","Org. Biomol. Chem.","2003","1","20","3578","3585","10.1039/b305991j","","","1.54178","CuKα","","0.0718","0.0643","","","0.1467","0.152","","","","","","1.257","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151496","10.323","0.001","8.328","0.001","15.665","0.001","90","1","108.3","0.01","90","1","1278.6","0.2","298","","","","","","","","","","Per Wiklund: Organic Chemistry CNT Biosciences, Karolinska Institute, Novum 141 57 Huddinge, Sweden","5","P 1 21/c 1","-P 2ybc","14","(()3a-Pentafluoroethyl-3,4-dioxa-9b-aza- cyclopenta(a)naphthalene-2,5-dione","(()3a-Pentafluoroethyl-3,4-dioxa-9b-aza-cyclopenta[a]naphthalene-2,5-dione","","- C12 H6 F5 N O4 -","- C12 H6 F5 N O4 -","- C48 H24 F20 N4 O16 -","4","1","","Wiklund, Per; Romero, Ivan; Bergman, Jan","Products from dehydration of dicarboxylic acids derived from anthranilic acid","Organic & Biomolecular Chemistry","2003","1","19","3396","","10.1039/b306032b","","","0.71073","MoKα","","0.138","0.05","","0.172","0.06","0.06","","","2.455","1.554","1.554","1.554","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151497","10.483","0.005","9.356","0.004","12.297","0.003","90","","101.14","0.03","90","","1183.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H16 N4 O -","- C11 H16 N4 O -","- C44 H64 N16 O4 -","4","1","","Blake, Alexander J.; Clarke, David; Mares, Richard W.; McNab, Hamish","Synthesis and chemistry of 3-tert-butyl-1,5-diaminopyrazole.","Organic & biomolecular chemistry","2003","1","23","4268","4274","10.1039/b306058f","","","0.71073","MoKα","","0.139","0.057","","","0.136","0.171","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151498","9.974","0.003","14.182","0.005","16.104","0.005","90","","107.088","0.005","90","","2177.4","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O4 -","- C25 H25 N O4 -","- C100 H100 N4 O16 -","4","1","","Gillson, Ashley-Mae E.; Glover, Stephen A.; Tucker, David J.; Turner, Peter","Crystal structures and properties of mutagenic N-acyloxy-N-alkoxyamides ? ?most pyramidal? acyclic amides","Organic & Biomolecular Chemistry","2003","1","19","3430","","10.1039/b306098p","","","0.71073","MoKα","","0.046","0.0349","","","0.0908","0.0951","","","","","","1.465","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151499","9.291","0.0019","17.063","0.004","18.64","0.004","90","","98.007","0.004","90","","2926.2","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 N O4 -","- C33 H41 N O4 -","- C132 H164 N4 O16 -","4","1","","Gillson, Ashley-Mae E.; Glover, Stephen A.; Tucker, David J.; Turner, Peter","Crystal structures and properties of mutagenic N-acyloxy-N-alkoxyamides ? ?most pyramidal? acyclic amides","Organic & Biomolecular Chemistry","2003","1","19","3430","","10.1039/b306098p","","","0.71073","MoKα","","0.0607","0.0425","","","0.0863","0.0909","","","","","","1.318","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151500","7.9079","0.0008","12.48","0.002","7.7913","0.0007","90","","92.89","0.01","90","","767.95","0.16","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N4 S -","- C6 H10 N4 S -","- C24 H40 N16 S4 -","4","1","","Thanyasirikul, Yupa; Pakawatchai, Chaveng; Cole, Marcus L.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Reappraising the formation of Jaff�'s base: studies of the treatment of imidazolidine-2-thione with mild oxidising agents","Organic & Biomolecular Chemistry","2003","1","18","3217","","10.1039/b306647a","","","0.71073","MoKα","","0.099","0.049","","0.062","","0.052","","","1.181","","","1.327","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151501","15.295","0.003","6.895","0.007","9.063","0.002","90","","90","","90","","955.8","1","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Br N4 S -","- C6 H11 Br N4 S -","- C24 H44 Br4 N16 S4 -","4","0.5","","Thanyasirikul, Yupa; Pakawatchai, Chaveng; Cole, Marcus L.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Reappraising the formation of Jaff�'s base: studies of the treatment of imidazolidine-2-thione with mild oxidising agents","Organic & Biomolecular Chemistry","2003","1","18","3217","","10.1039/b306647a","","","0.71073","MoKα","","0.051","0.033","","0.059","","0.049","","","1.115","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151502","13.42","0.001","12.95","0.001","14.439","0.001","90","","90","","90","","2509.3","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H9 I3 N2 S -","- C6 H9 I3 N2 S -","- C48 H72 I24 N16 S8 -","8","1","","Thanyasirikul, Yupa; Pakawatchai, Chaveng; Cole, Marcus L.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Reappraising the formation of Jaff�'s base: studies of the treatment of imidazolidine-2-thione with mild oxidising agents","Organic & Biomolecular Chemistry","2003","1","18","3217","","10.1039/b306647a","","","0.71073","MoKα","","0.059","0.037","","0.049","","0.044","","","1.066","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151503","8.4698","0.0002","6.4952","0.0002","20.0695","0.0004","90","","94.0089","0.0006","90","","1101.38","0.05","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 Si -","- C22 H32 O4 Si -","- C44 H64 O8 Si2 -","2","1","","Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J.","Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3772","","10.1039/b306675b","","","0.71073","MoKα","","","0.0319","","","","0.0373","","","","","","1.0489","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151504","5.8009","0.0002","13.1214","0.0004","18.5666","0.0005","90","","90","","90","","1413.21","0.08","150","","150","","","","","","","","synthesis as derscribed","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J.","Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3772","","10.1039/b306675b","","","0.71073","MoKα","","","0.0289","","","","0.0319","","","","","","1.0546","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151505","5.1126","0.0005","14.2991","0.0002","19.1347","0.0008","90","","90","","90","","1398.85","0.15","150","","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J.","Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3772","","10.1039/b306675b","","","0.71073","MoKα","","","0.0315","","","","0.0355","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151506","13.7851","0.0003","17.4951","0.0004","17.3777","0.0004","90","","102.901","0.0015","90","","4085.22","0.16","150","","150","","","","","","","","?","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H94 Cl2 N4 Si2 -","- C96 H94 Cl2 N4 Si2 -","- C192 H188 Cl4 N8 Si4 -","2","0.5","","Krivokapic, Alexander; Anderson, Harry L.","Synthesis and crystal structure of a meso-trialkynyl-[28]hexaphyrinThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3639","","10.1039/b306725b","","","0.71073","MoKα","","0.0907","0.0634","","0.0981","0.075","0.0749","","","","","","1.1072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151507","32.9322","0.0014","8.629","0.0004","36.665","0.002","90","","99.019","0.002","90","","10290.3","0.9","150","","150","","","","","","","","?","5","P 1 21/a 1","-P 2yab","14","","","","- C112 H111 Cl3 N6 Si3 -","- C112 H111 Cl3 N6 Si3 -","- C448 H444 Cl12 N24 Si12 -","4","1","","Krivokapic, Alexander; Anderson, Harry L.","Synthesis and crystal structure of a meso-trialkynyl-[28]hexaphyrinThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3639","","10.1039/b306725b","","","0.71073","MoKα","","0.2122","0.1833","","0.2016","0.1626","0.1611","","","","","","0.9523","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151508","8.6168","0.0008","9.3641","0.0009","56.595","0.003","90","","90","","90","","4566.6","0.7","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H70 N2 O12 -","- C44 H70 N2 O12 -","- C176 H280 N8 O48 -","4","1","","Critchley, P.; Clarkson, G. J.","Carbohydrate-protein interactions at interfaces: comparison of the binding of Ricinus communis lectin to two series of synthetic glycolipids using surface plasmon resonance studies.","Organic & biomolecular chemistry","2003","1","23","4148","4159","10.1039/b306784j","","","0.71073","MoKα","","0.1301","0.0652","","","0.1065","0.1276","","","","","","1.02","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151509","10.747","0.0003","8.3113","0.0002","13.5613","0.0004","90","","100.432","0.0012","90","","1191.29","0.06","200","","200","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O11 S2 -","- C20 H24 O11 S2 -","- C40 H48 O22 S4 -","2","1","","Hollowood, Christopher J.; Ley, Steven V.","Reductive decomplexation of ?-allyltricarbonyliron lactone complexes using sodium naphthalenide as a route to stereodefined 1,7-diols and 2,3-diene-1,7-diols","Organic & Biomolecular Chemistry","2003","1","18","3197","","10.1039/b306861g","","","0.71073","MoKα","","","0.0417","","","","0.0465","","","","","","1.0631","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151510","15.0086","0.0005","8.0675","0.0003","15.1036","0.0005","90","","98.916","0.002","90","","1806.67","0.11","150","","150","","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","John E. Moses; Jack E. Baldwin; Sébastien Brückner; Serena J. Eade; Robert M. Adlington","Biomimetic studies on polyenes","Org. Biomol. Chem.","2003","1","21","3670","3684","10.1039/b306933h","","","0.71073","MoKα","","","0.043","","","","0.0527","","","","","","1.0561","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151511","8.0506","0.0004","12.3846","0.0005","13.2746","0.0007","64.465","0.002","86.93","0.002","73.06","0.002","1138.44","0.1","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C25 H23 N3 O8 -","- C25 H23 N3 O8 -","- C50 H46 N6 O16 -","2","1","","John E. Moses; Jack E. Baldwin; Sébastien Brückner; Serena J. Eade; Robert M. Adlington","Biomimetic studies on polyenes","Org. Biomol. Chem.","2003","1","21","3670","3684","10.1039/b306933h","","","0.71073","MoKα","","","0.0495","","","","0.0578","","","","","","1.0525","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151512","9.5061","0.0002","11.9924","0.0003","12.1678","0.0003","73.7785","0.0011","84.7859","0.0009","80.7467","0.0013","1313.04","0.05","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C28 H27 N3 O8 -","- C28 H27 N3 O8 -","- C56 H54 N6 O16 -","2","1","","John E. Moses; Jack E. Baldwin; Sébastien Brückner; Serena J. Eade; Robert M. Adlington","Biomimetic studies on polyenes","Org. Biomol. Chem.","2003","1","21","3670","3684","10.1039/b306933h","","","0.71073","MoKα","","","0.0383","","","","0.0427","","","","","","1.0616","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151513","13.1953","0.0002","8.0054","0.0002","19.1169","0.0004","90","","107.708","0.0008","90","","1923.7","0.07","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","4,6,8-trimethyldec-2,4,6,8-tetraenyl 3,5-dinitrobenzoate","4,6,8-trimethyldec-2,4,6,8-tetraenyl 3,5-dinitrobenzoate","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","John E. Moses; Jack E. Baldwin; Sébastien Brückner; Serena J. Eade; Robert M. Adlington","Biomimetic studies on polyenes","Org. Biomol. Chem.","2003","1","21","3670","3684","10.1039/b306933h","","","0.71073","MoKα","","","0.0384","","","","0.0513","","","","","","1.0033","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151514","11.289","0.001","11.4013","0.0008","19.344","0.004","96.03","0.01","95.87","0.01","112.82","0.007","2254.2","0.6","293","","293","","","","","","","","","4","P -1","-P 1","2","","tert-butyl(1RS,2SR,3RS)-3-methyl-2-(N,N-dibenzylamino)- cyclopentane-1-carboxylate","","- C25 H33 N O2 -","- C25 H33 N O2 -","- C100 H132 N4 O8 -","4","2","","Bunnage, Mark E.; Chippindale, Ann M.; Davies, Stephen G.; Parkin, Richard M.; Smith, Andrew D.; Withey, Jonathan M.","Asymmetric synthesis of (1R,2S,3R)-3-methylcispentacin and (1S,2S,3R)-3-methyltranspentacin by kinetic resolution of tert-butyl (±)-3-methylcyclopentene-1-carboxylate","Organic & Biomolecular Chemistry","2003","1","21","3698","3707","10.1039/b306935b","","","1.5418","CuKα","","","0.0596","","","","0.0669","","","","","","1.0356","","","","has coordinates","297230","2025-01-08","15:20:18",""
"7151515","9.9698","0.0008","10.8697","0.0009","21.974","0.004","90","","90","","90","","2381.3","0.5","293","","293","","","","","","","","see paper","4","P 21 2 21","P 2ac 2ac","18","","tert-butyl(1R,2S,3R,aS)-3-methyl-2-(N-benzylamino)- cyclopentane-1-carboxylate","","- C26 H35 N O2 -","- C26 H35 N O2 -","- C104 H140 N4 O8 -","4","1","","Bunnage, Mark E.; Chippindale, Ann M.; Davies, Stephen G.; Parkin, Richard M.; Smith, Andrew D.; Withey, Jonathan M.","Asymmetric synthesis of (1R,2S,3R)-3-methylcispentacin and (1S,2S,3R)-3-methyltranspentacin by kinetic resolution of tert-butyl (±)-3-methylcyclopentene-1-carboxylate","Organic & Biomolecular Chemistry","2003","1","21","3698","3707","10.1039/b306935b","","","1.5418","CuKα","","","0.0408","","","","0.0508","","","","","","1.0059","","","","has coordinates","297230","2025-01-08","15:20:20",""
"7151516","14.905","0.008","17.292","0.003","9.515","0.002","90","","93.09","0.02","90","","2448.8","1.5","160","2","160","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N2 O5.5 S2 -","- C24 H33 N2 O5.5 S2 -","- C96 H132 N8 O22 S8 -","4","2","","Pulacchini, Sonia; Nasser, Rima; Sibbons, Kevin F.; Motevalli, Majid; Hawkes, Geoffrey E.; Kroemer, Romano T.; Bento, Edson S.; Watkinson, Michael","Structure, modelling and dynamic behaviour of aza- and azaoxamacrocyclic ligands derived from (R,R)-1,2-diaminocyclohexaneElectronic supplementary information (ESI) available: different views of compounds 6, 6a and 6b. See http://www.rsc.org/suppdata/ob/b3/b306963j/","Organic & Biomolecular Chemistry","2003","1","22","4058","","10.1039/b306963j","","x-ray","0.71073","MoKα","","0.0948","0.0461","","","0.0987","0.1129","","","","","","1.038","","","","has coordinates","209363","2020-10-21","18:00:00",""
"7151517","22.981","0.003","13.623","0.003","10.142","0.002","90","","90","","90","","3175.2","1","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N3 O6 S3 -","- C31 H39 N3 O6 S3 -","- C124 H156 N12 O24 S12 -","4","1","","Pulacchini, Sonia; Nasser, Rima; Sibbons, Kevin F.; Motevalli, Majid; Hawkes, Geoffrey E.; Kroemer, Romano T.; Bento, Edson S.; Watkinson, Michael","Structure, modelling and dynamic behaviour of aza- and azaoxamacrocyclic ligands derived from (R,R)-1,2-diaminocyclohexaneElectronic supplementary information (ESI) available: different views of compounds 6, 6a and 6b. See http://www.rsc.org/suppdata/ob/b3/b306963j/","Organic & Biomolecular Chemistry","2003","1","22","4058","","10.1039/b306963j","","x-ray","0.71073","MoKα","","0.0778","0.0402","","","0.1085","0.1408","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151518","13.5011","0.0004","15.4181","0.0004","16.111","0.0005","102.337","0.002","98.236","0.001","95.617","0.001","3213.69","0.16","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H91 Br2 N5 O2 -","- C58 H71 Br2 N5 -","- C116 H142 Br4 N10 -","2","1","","Jonathan L. Sessler; Julian M. Davis; Vladimir Král; Thomas Kimbrough; Vincent Lynch","Water soluble sapphyrins: potential fluorescent phosphate anion sensors","Org. Biomol. Chem.","2003","1","22","4113","4123","10.1039/b306964h","","","0.71073","MoKα","","0.1128","0.065","","","0.1461","0.1579","","","","","","1.148","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151519","10.747","0.0003","8.3113","0.0002","13.5613","0.0004","90","","100.432","0.0012","90","","1191.29","0.06","200","","200","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O11 S2 -","- C20 H24 O11 S2 -","- C40 H48 O22 S4 -","2","1","","Gamblin, David P.; Garnier, Philippe; Ward, Sarah J.; Oldham, Neil J.; Fairbanks, Antony J.; Davis, Benjamin G.","Glycosyl phenylthiosulfonates (Glyco-PTS): novel reagents for glycoprotein synthesis","Organic & Biomolecular Chemistry","2003","1","21","3642","3644","10.1039/b306990g","","","0.71073","MoKα","","","0.0417","","","","0.0465","","","","","","1.0631","","","","has coordinates","297180","2025-01-07","15:16:55",""
"7151520","10.517","0.004","10.678","0.004","12.532","0.005","104.199","0.004","100.115","0.004","112.747","0.003","1199.3","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 Fe2 N2 -","- C28 H36 Fe2 N2 -","- C56 H72 Fe4 N4 -","2","1","","Anderson, James C.; Blake, Alexander J.; Arnall-Culliford, Jennifer C.","Synthesis of planar chiral ferrocenyl 1,3-diamines and 1,3-amino ethers","Organic & Biomolecular Chemistry","2003","1","20","3586","","10.1039/b307014j","","x-ray","0.71073","MoKα","","0.0353","0.0261","","","0.0637","0.0694","","","","","","1.037","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151521","9.286","0.002","18.246","0.002","10.204","0.002","90","","90.77","0.02","90","","1728.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N O5 S -","- C17 H20 N O5 S -","- C68 H80 N4 O20 S4 -","4","1","","Heaney, Frances; Fenlon, Julie; O'Mahony, Colm; McArdle, Patrick; Cunningham, Desmond","Alpha-oximono-esters as precursors to heterocycles–generation of oxazinone N-oxides and cycloaddition to alkene dipolarophiles.","Organic & biomolecular chemistry","2003","1","23","4302","4316","10.1039/b307077h","","","0.71069","MoKα","","0.0856","0.0696","","","0.183","0.1956","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151522","8.385","0.001","11.271","0.001","16.603","0.002","90","","90","","90","","1569.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C60 H76 N4 O20 S4 -","4","1","","Heaney, Frances; Fenlon, Julie; O'Mahony, Colm; McArdle, Patrick; Cunningham, Desmond","Alpha-oximono-esters as precursors to heterocycles–generation of oxazinone N-oxides and cycloaddition to alkene dipolarophiles.","Organic & biomolecular chemistry","2003","1","23","4302","4316","10.1039/b307077h","","","0.71069","MoKα","","0.0283","0.0256","","","0.0667","0.068","","","","","","0.859","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151523","8.728","0.001","11.841","0.001","14.929","0.002","71.632","0.009","80.69","0.01","81.7","0.01","1437.8","0.3","123.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 F20 N4 O10 -","- C60 H44 F20 N4 O10 -","- C60 H44 F20 N4 O10 -","1","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.0551","","","","0.1264","","","","","","1.403","","","","has coordinates","297163","2025-01-07","08:06:37",""
"7151524","9.599","0.001","11.653","0.002","15.605","0.002","110.08","0.01","95.75","0.01","106.7","0.01","1531.4","0.4","298.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 F20 N6 O10 -","- C62 H46 F20 N6 O10 -","- C62 H46 F20 N6 O10 -","1","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.0605","","","","0.1588","","","","","","1.104","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151525","15.963","0.001","15.963","0.001","20.165","0.002","90","","90","","90","","5138.4","0.7","296.2","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H24 Cl8 F12 N4 -","- C48 H24 Cl8 F12 N4 -","- C192 H96 Cl32 F48 N16 -","4","0.25","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.0692","","","","0.2018","","","","","","1.647","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151526","13.102","0.002","13.102","0.002","27.375","0.003","90","","90","","90","","4699.3","1.1","298.2","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H28 Cl8 F12 N4 O2 -","- C48 H28 Cl8 F12 N4 O2 -","- C192 H112 Cl32 F48 N16 O8 -","4","0.25","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.0528","","","","0.1404","","","","","","1.109","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151527","18.886","0.002","18.183","0.002","9.886","0.002","90","","90.428","0.003","90","","3394.8","0.9","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H28 F40 N4 O2 -","- C74 H28 F40 N4 O2 -","- C148 H56 F80 N8 O4 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.069","","","","0.1418","","","","","","1.209","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151528","15.679","0.003","10.995","0.004","23.426","0.003","90","","100.47","0.01","90","","3971.2","1.7","298.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H28 Cl6 F40 N6 O2 -","- C76 H28 Cl6 F40 N6 O2 -","- C152 H56 Cl12 F80 N12 O4 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.0769","","","","0.2003","","","","","","1.327","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151529","25.555","0.009","15.884","0.002","25.659","0.008","90","","90","","90","","10415","5","288.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C88 H70 Cl24 N6 O12 -","- C84 H66 Cl12 N6 O12 -","- C336 H264 Cl48 N24 O48 -","4","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","0.0928","0.0872","","","0.2452","0.2491","","","","","","1.15","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151530","18.487","0.002","15.093","0.002","19.312","0.001","90","","94.823","0.007","90","","5369.4","1","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H86 Cl16 N6 O12 -","- C108 H86 Cl16 N6 O12 -","- C216 H172 Cl32 N12 O24 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.088","","","","0.2471","","","","","","1.668","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151531","18.487","0.002","15.093","0.002","19.312","0.001","90","","94.823","0.007","90","","5369.4","1","296.1","","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H86 Cl16 N6 O12 -","- C84 H66 Cl12 N6 O12 -","- C168 H132 Cl24 N12 O24 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.71069","MoKa","","0.148","0.0622","","","0.1819","0.2006","","","","","","0.82","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151532","14.02","0.003","18.711","0.003","14.289","0.003","90","","117.76","0.01","90","","3317","1.2","298.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C68 H48 Cl10 N4 O8 -","- C68 H48 Cl10 N4 O8 -","- C136 H96 Cl20 N8 O16 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.07","","","","0.1792","","","","","","1.104","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151533","21.856","0.003","25.827","0.003","19.842","0.003","90","","115.244","0.003","90","","10131","2","173.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H26 F20 N4 O8 -","- C56 H26 F20 N4 O8 -","- C448 H208 F160 N32 O64 -","8","1","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.0513","","","","0.1266","","","","","","1.239","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151534","21.093","0.003","25.7","0.003","19.961","0.002","90","","107.1","0.003","90","","10342","2","123.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H28.5 Cl0.5 F20 N4 O8 -","- C59 H30.5 Cl0.5 F20 N4 O8 -","- C472 H244 Cl4 F160 N32 O64 -","8","1","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.0479","","","","0.1103","","","","","","1.015","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151535","14.995","0.003","12.084","0.002","15.045","0.003","90","","116.761","0.004","90","","2434.2","0.8","173.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H18 Cl8 F12 N4 -","- C48 H18 Cl8 F12 N4 -","- C96 H36 Cl16 F24 N8 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.0742","","","","0.1869","","","","","","1.665","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151536","25.555","0.009","15.884","0.002","25.659","0.008","90","","90","","90","","10415","5","288.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C88 H70 Cl24 N6 O12 -","- C88 H70 Cl24 N6 O12 -","- C352 H280 Cl96 N24 O48 -","4","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens","Organic & Biomolecular Chemistry","2003","1","21","3857","3865","10.1039/b307132d","","","0.7107","MoKa","","","0.0727","","","","0.176","","","","","","1.976","","","","has coordinates","297163","2025-01-07","08:06:38",""
"7151537","21.2","0.003","26.956","0.006","9.205","0.0011","90","","90","","90","","5260.4","1.5","298","","","","","","","","","","Local laboratory","4","P c c n","-P 2ab 2ac","56","","","","- C23 H41 N5 O2 -","- C23 H41 N5 O2 -","- C184 H328 N40 O16 -","8","1","","Yabuuchi, Kazuhiro; Marfo-Owusu, Emmanuel; Kato, Takashi","A new urea gelator: incorporation of intra- and intermolecular hydrogen bonding for stable 1D self-assembly","Organic & Biomolecular Chemistry","2003","1","19","3464","","10.1039/b307149a","","","0.71073","MoKα","","0.179","0.094","","0.237","0.233","0.162","","","0.778","1.216","1.216","0.814","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151538","39.501","0.009","13.177","0.003","24.959","0.006","90","","98.709","0.005","90","","12841","5","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C67 H83 F3 N Na O9 S -","- C67 H83 F3 N Na O9 S -","- C536 H664 F24 N8 Na8 O72 S8 -","8","1","","Abidi, Rym; Baklouti, Lassaad; Harrowfield, Jack M.; Sobolev, Alexandre N.; Vicens, Jacques; White, Allan H.","Alkali metal ion complexes of functionalised calixarenes ? competition between pendent arm and anion bonding to sodium","Organic & Biomolecular Chemistry","2003","1","18","3144","","10.1039/b307193f","","","0.71073","MoKα","","0.1896","0.0965","","","0.241","0.3137","","","","","","0.999","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151539","40.086","0.008","13.339","0.003","25.135","0.005","90","","98.58","0.03","90","","13289","5","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C67 H83 F3 N Na O9 S -","- C67 H83 F3 N Na O9 S -","- C536 H664 F24 N8 Na8 O72 S8 -","8","1","","Abidi, Rym; Baklouti, Lassaad; Harrowfield, Jack M.; Sobolev, Alexandre N.; Vicens, Jacques; White, Allan H.","Alkali metal ion complexes of functionalised calixarenes ? competition between pendent arm and anion bonding to sodium","Organic & Biomolecular Chemistry","2003","1","18","3144","","10.1039/b307193f","","","0.71073","MoKα","","0.3098","0.142","","","0.362","0.47","","","","","","1.019","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151540","19.214","0.006","16.341","0.004","7.1838","0.0009","90","","90","","90","","2255.5","0.9","145","","145","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2S,3S,6R,8S)-4-Benzyl-2-O-(tert-butyldimethylsilyl)-3-methyl-11-oxa-4-aza- tricyclo-[6.2.1.01.6] undec-9-en-5-one","","- C23 H33 N O3 Si -","- C23 H33 N O3 Si -","- C92 H132 N4 O12 Si4 -","4","1","","Tromp, Reynier A.; Brussee, Johannes; van der Gen, Arne","Stereochemistry of intramolecular Diels?Alder furan (IMDAF) reactions of furyl-substituted chiral ethanolamides","Organic & Biomolecular Chemistry","2003","1","20","3592","","10.1039/b307275d","","","0.71073","MoKalpha","","0.084","0.042","","0.05","0.045","","","","1.684","2.039","2.039","","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151541","15.752","0.006","11.767","0.004","8.688","0.003","90","","103.607","0.007","90","","1565.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Fluoro-4-(4-fluorophenyl)-1-methylbenzo[f][1,4]diazepine-2,3-dicarboxylic anhydride","","- C18 H12 F2 N2 O3 -","- C18 H12 F2 N2 O3 -","- C72 H48 F8 N8 O12 -","4","1","","Cheng, Ying; Yang, Hua; Meth-Cohn, Otto","The surprising nucleophilic addition of aminochlorocarbenes to diethyl acetylenedicarboxylate and to oxalyl chloride: quinolines and benzo[1,4]diazepines from N-alkylformanilides and oxalyl chloride in the presence of H�nig's base","Organic & Biomolecular Chemistry","2003","1","20","3605","","10.1039/b307278a","","","0.71073","MoKα","","0.2534","0.0569","","","0.1063","0.1883","","","","","","0.932","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151542","8.312","0.012","8.487","0.013","19.91","0.03","78.19","0.03","81.52","0.03","88.99","0.03","1360","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 2-(2-chloro-1,2-bis(ethoxy-carbonyl)vinyl)- 6-methoxy1-1-methyl-1,2-dihydroquinoline-3,4-dicarboxylate","","- C25 H30 Cl N O9 -","- C25 H30 Cl N O9 -","- C50 H60 Cl2 N2 O18 -","2","1","","Cheng, Ying; Yang, Hua; Meth-Cohn, Otto","The surprising nucleophilic addition of aminochlorocarbenes to diethyl acetylenedicarboxylate and to oxalyl chloride: quinolines and benzo[1,4]diazepines from N-alkylformanilides and oxalyl chloride in the presence of H�nig's base","Organic & Biomolecular Chemistry","2003","1","20","3605","","10.1039/b307278a","","","0.71073","MoKα","","0.1848","0.0803","","","0.1756","0.2216","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151543","12.0481","0.0011","14.5004","0.0017","16.407","0.002","81.45","0.03","83.18","0.05","67.32","0.017","2609.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Benzyl-7-methoxy-4-(4-methoxyphenyl)-5- phenylbenzo(f)(1,4)diazepine-2,3-dicarbox-ylic anhydride","1-Benzyl-7-methoxy-4-(4-methoxyphenyl)-5-phenylbenzo[f][1,4]diazepine- 2,3-dicarbox-ylic anhydride","","- C32 H26 N2 O5 -","- C32 H26 N2 O5 -","- C128 H104 N8 O20 -","4","2","","Cheng, Ying; Yang, Hua; Meth-Cohn, Otto","The surprising nucleophilic addition of aminochlorocarbenes to diethyl acetylenedicarboxylate and to oxalyl chloride: quinolines and benzo[1,4]diazepines from N-alkylformanilides and oxalyl chloride in the presence of H�nig's base","Organic & Biomolecular Chemistry","2003","1","20","3605","","10.1039/b307278a","","","0.71073","MoKα","","0.2119","0.0481","","","0.0726","0.0918","","","","","","0.641","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151544","9.939","0.007","12.907","0.005","20.16","0.003","90","","90","","90","","2586","2","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O9 S -","- C19 H24 N2 O9 S -","- C76 H96 N8 O36 S4 -","4","1","","Marietta Tóth; Katalin E. Kövér; Attila Bényei; László Somsák","C-Glycosylmethylene carbenes: synthesis of anhydro-aldose tosylhydrazones as precursors; generation and a new synthetic route to exo-glycals","Org. Biomol. Chem.","2003","1","22","4039","4046","10.1039/b307378e","","x-ray","0.71073","MoKα","","","0.0533","","","","0.1828","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151545","7.632","0.002","15.352","0.004","18.943","0.008","90","","94.83","0.03","90","","2211.6","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3-diethyl-1,2-diferrocenylcyclopropene","","- C27 H28 Fe2 -","- C27 H28 Fe2 -","- C108 H112 Fe8 -","4","1","","Elena I. Klimova; Tatiana Klimova Berestneva; Arnaldo Cinquantini; Maddalena Corsini; Piero Zanello; Ruben A. Toscano; Simón Hernández-Ortega; Marcos Martínez García","3,3-Diethyl- and 3,3-dibenzyl-1,2-diferrocenylcyclopropenes","Org. Biomol. Chem.","2003","1","24","4458","4464","10.1039/b307408k","","","0.71073","MoKα","","0.1389","0.0711","","","0.1517","0.1872","","","","","","1.007","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151546","11.0169","0.0008","7.8226","0.0005","13.1321","0.0009","90","","102.329","0.001","90","","1105.63","0.13","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,5-DIFERROCEN-1-YL-HEPTAN-3-ONE","","- C27 H30 Fe2 O -","- C27 H30 Fe2 O -","- C54 H60 Fe4 O2 -","2","1","","Elena I. Klimova; Tatiana Klimova Berestneva; Arnaldo Cinquantini; Maddalena Corsini; Piero Zanello; Ruben A. Toscano; Simón Hernández-Ortega; Marcos Martínez García","3,3-Diethyl- and 3,3-dibenzyl-1,2-diferrocenylcyclopropenes","Org. Biomol. Chem.","2003","1","24","4458","4464","10.1039/b307408k","","","0.71073","MoKα","","0.0511","0.039","","","0.0749","0.0784","","","","","","0.968","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151547","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","","Tsuji, Eriko; Ando, Kumiko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka","Preparation of 3-acetoacetylaminobenzo[b]furan derivatives with cysteinyl leukotriene receptor 2 antagonistic activity","Organic & Biomolecular Chemistry","2003","1","18","3139","","10.1039/b307468d","","","1.5418","CuKα","","","0.0585","","","","0.1703","","","","","","1.491","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151548","13.4019","0.0002","8.1355","0.0001","7.8447","0.0001","90","","101.744","0.001","90","","837.41","0.02","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N6 S -","- C6 H6 N6 S -","- C24 H24 N24 S4 -","4","1","","Volkova, Natalya N.; Tarasov, Evgeniy V.; Kodess, Mikhail I.; Meervelt, Luc Van; Dehaen, Wim; Bakulev, Vasiliy A.","Reaction of 5-halo-1,2,3-thiadiazoles with aliphatic diamines. Synthesis and intramolecular cyclization of bis(1,2,3-triazolyl-1,2,3-thiadiazolyl)sulfides","Organic & Biomolecular Chemistry","2003","1","22","4030","","10.1039/b307693h","","","1.54178","CuKα","","0.0448","0.0437","","","0.1384","0.1405","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151549","27.462","0.017","20.459","0.012","18.66","0.006","90","","103.03","0.04","90","","10214","9","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H120 N6 O12 P4 -","- C112 H120 N6 O12 P4 -","- C448 H480 N24 O48 P16 -","4","1","","Christian Schmidt; Mohamed Saadioui; Volker Böhmer; Valéry Host; Marie-Rose Spirlet; Jean F. Desreux; Fréderic Brisach; Françoise Arnaud-Neu; Jean-François Dozol","Modification of calix[4]arenes with CMPO-functions at the wide rim. Synthesis, solution behavior, and separation of actinides from lanthanides","Org. Biomol. Chem.","2003","1","22","4089","4096","10.1039/b307929e","","","0.71073","MoKα","","0.1613","0.068","","","0.1445","0.1794","","","","","","0.922","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151550","5.7655","0.0003","9.7432","0.0004","19.338","0.001","83.041","0.005","85.348","0.006","85.954","0.004","1072.72","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H36 Ho0 O6 -","- C19 H36 O6 -","- C38 H72 O12 -","2","2","","Cuzzupe, Anthony N.; Florio, Romina Di; White, Jonathan M.; Rizzacasa, Mark A.","Enantiospecific synthesis of the phospholipase A2 inhibitors (?)-cinatrin C1 and (+)-cinatrin C3","Organic & Biomolecular Chemistry","2003","1","20","3572","","10.1039/b308028e","","","1.5418","CuKα","","0.0633","0.0398","","","0.0909","0.1033","","","","","","1.018","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151551","25.207","0.004","7.631","0.002","17","0.003","90","0","95.5","0.1","90","0","3255","1.3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl N4 O -","- C16 H19 Cl N4 O -","- C128 H152 Cl8 N32 O8 -","8","2","","Greci, Lucedio; Castagna, Riccardo; Carloni, Patricia; Stipa, Pierluigi; Rizzoli, Corrado; Righi, Lara; Sgarabotto, Paolo","Nitrenium ions.Part 5. For Part 4 see ref. 1 Reactions of N,N-dimethyl-p-benzoyloxyaniline-iminium chloride with indoles and indolizines. X-ray structure of unexpected [2-chloro-4-(4-dimethylaminophenyl-ONN-azoxy)phenyl]dimethylamine (azoxy derivative)","Organic & Biomolecular Chemistry","2003","1","21","3768","","10.1039/b308088a","","","1.54178","CuKα","","0.1326","0.0501","","0.0943","","0.0677","","","0.87","","","1.235","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151559","12.2184","0.0006","6.3844","0.0003","14.8429","0.0009","90","","108.081","0.002","90","","1100.68","0.1","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl3 N2 O5 -","- C18 H23 Cl3 N2 O5 -","- C36 H46 Cl6 N4 O10 -","2","1","","Ley, Steven V.; Cleator, Ed; Hewitt, Peter R.","A rapid stereocontrolled synthesis of the 3a-hydroxy-pyrrolo[2,3-b]indole skeleton, a building block for 10b-hydroxy-pyrazino[1?,2?:1,5]pyrrolo[2,3-b]indole-1,4-diones","Organic & Biomolecular Chemistry","2003","1","20","3492","","10.1039/b308288a","","","0.71073","MoKα","","0.0705","0.0577","","","0.156","0.1757","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151560","25.6379","0.0012","9.2441","0.0004","12.2274","0.0006","90","","90","","90","","2897.9","0.2","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H40 Cl4 N8 O8 Zn2 -","- C16 H40 Cl4 N8 O8 Zn2 -","- C64 H160 Cl16 N32 O32 Zn8 -","4","1","","Gao, Jian; Reibenspies, Joseph H.; Martell, Arthur E.","Selective recognition of thymidylylthymidine (TpT) and antitumor effects of a macrocyclic dizinc(II) complex.","Organic & biomolecular chemistry","2003","1","23","4242","4247","10.1039/b308358f","","","0.71073","MoKα","","0.06","0.0498","","","0.1255","0.1382","","","","","","1.14","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151561","7.9103","0.0004","9.9556","0.0005","15.8702","0.0009","90","","90","","90","","1249.81","0.11","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O3 -","- C13 H20 N2 O3 -","- C52 H80 N8 O12 -","4","1","","Jean-Paul R. Hermet; David W. Porter; Michael J. Dearden; Justin R. Harrison; Tobias Koplin; Peter O'Brien; Jérôme Parmene; Vladimir Tyurin; Adrian C. Whitwood; John Gilday; Neil M. Smith","Synthesis of sparteine-like chiral diamines and evaluation in the enantioselective lithiation–substitution of N-(tert-butoxycarbonyl)pyrrolidine","Org. Biomol. Chem.","2003","1","22","3977","3988","10.1039/b308410h","","","0.71073","MoKα","","0.0362","0.0333","","","0.0877","0.0898","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151562","8.8117","0.0002","11.0726","0.0002","11.2477","0.0003","79.339","0.001","73.059","0.001","86.946","0.001","1031.68","0.04","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","7-Carboxy-2,4-dimethyl-5H-benzo[b][1,4]diazepin-ium picrate","","- C19 H19 N5 O10 -","- C19 H19 N5 O10 -","- C38 H38 N10 O20 -","2","1","","Schmidt, Andreas; Shilabin, Abbas Gholipour; Nieger, Martin","On benzo[b][1,4]diazepinium-olates, -thiolates and -carboxylates as anti-Hückel mesomeric betaines.","Organic & biomolecular chemistry","2003","1","23","4342","4350","10.1039/b308412d","","","0.71073","MoKα","","0.0519","0.0431","","","0.1165","0.1218","","","","","","1.074","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151563","12.334","0.003","12.813","0.003","14.026","0.003","90","","91.62","0.03","90","","2215.7","0.9","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O7 -","- C23 H30 O7 -","- C92 H120 O28 -","4","2","","Lee, Ai-Lan; Ley, Steven V.","The synthesis of the anti-malarial natural product polysphorin and analogues using polymer-supported reagents and scavengers","Organic & Biomolecular Chemistry","2003","1","22","3957","","10.1039/b308761a","","","0.71073","MoKα","","0.0931","0.0704","","","0.1715","0.1906","","","","","","1.064","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151564","22.4427","0.0004","11.0768","0.0003","12.8817","0.0002","90","","114.475","0.002","90","","2914.55","0.11","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H34 N2 O9 S -","- C28 H34 N2 O9 S -","- C112 H136 N8 O36 S4 -","4","1","","Lee, Ai-Lan; Ley, Steven V.","The synthesis of the anti-malarial natural product polysphorin and analogues using polymer-supported reagents and scavengers","Organic & Biomolecular Chemistry","2003","1","22","3957","","10.1039/b308761a","","","0.71073","MoKα","","0.0572","0.0449","","","0.0951","0.1023","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151565","8.5195","0.0011","10.0386","0.0013","19.37","0.002","90","","90","","90","","1656.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher, Derek A.","Thiol-catalysed radical-chain redox rearrangement reactions of benzylidene acetals derived from terpenoid diols","Organic & Biomolecular Chemistry","2003","1","22","4073","","10.1039/b309060b","","","0.71073","MoKα","","0.0682","0.0535","","","0.1178","0.1251","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151566","10.6743","0.0007","16.4346","0.001","16.6813","0.001","90","","90","","90","","2926.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 O4 -","- C34 H42 O4 -","- C136 H168 O16 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher, Derek A.","Thiol-catalysed radical-chain redox rearrangement reactions of benzylidene acetals derived from terpenoid diols","Organic & Biomolecular Chemistry","2003","1","22","4073","","10.1039/b309060b","","","0.71073","MoKα","","0.0507","0.0426","","","0.1077","0.1136","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151567","8.804","0.003","10.274","0.003","18.428","0.005","90","","90","","90","","1666.9","0.9","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher, Derek A.","Thiol-catalysed radical-chain redox rearrangement reactions of benzylidene acetals derived from terpenoid diols","Organic & Biomolecular Chemistry","2003","1","22","4073","","10.1039/b309060b","","","0.71073","MoKα","","0.0817","0.0579","","","0.122","0.1329","","","","","","0.987","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151568","9.9643","0.0004","11.133","0.0004","17.3159","0.0007","90","","90","","90","","1920.9","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O6 S -","- C17 H25 N O6 S -","- C68 H100 N4 O24 S4 -","4","1","","Foresti, Elisabetta; Palmieri, Gianni; Petrini, Marino; Profeta, Roberto","Highly diastereoselective addition of nitromethane anion to chiral alpha-amidoalkylphenyl sulfones. Synthesis of optically active alpha-amino acid derivatives.","Organic & biomolecular chemistry","2003","1","23","4275","4281","10.1039/b309211a","","","0.71073","MoKα","","0.0376","0.0358","","","0.0931","0.0951","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151569","7.0666","0.0004","7.0975","0.0004","18.3293","0.0013","88.437","0.003","86.586","0.003","62.907","0.003","816.98","0.09","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Davies, John E.; Fleming, Ian; Goodman, Jonathan M.","A tricycloheptane product in cationic rearrangements","Organic & Biomolecular Chemistry","2003","1","20","3570","","10.1039/b309329h","","","0.71073","MoKα","","0.1793","0.1113","","","0.266","0.3102","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151570","28.047","0.006","11.272","0.002","13.562","0.003","90","","103.05","0.03","90","","4176.8","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 N5 O3 P -","- C17 H26 N5 O3 P -","- C136 H208 N40 O24 P8 -","8","1","","Brel, Valery K.; Belsky, Vitaly K.; Stash, Adam I.; Zavodnik, Valery E.; Stang, Peter J.","Synthesis and molecular structure of new acyclic analogues of nucleotides with a 1,2-alkadienic skeleton.","Organic & biomolecular chemistry","2003","1","23","4220","4226","10.1039/b309684j","","","0.71073","MoKα","","0.0597","0.0597","","","0.1621","0.1621","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151571","14.135","0.003","8.272","0.002","14.408","0.003","90","","106.97","0.03","90","","1611.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N2 O5 P -","- C14 H19 N2 O5 P -","- C56 H76 N8 O20 P4 -","4","1","","Brel, Valery K.; Belsky, Vitaly K.; Stash, Adam I.; Zavodnik, Valery E.; Stang, Peter J.","Synthesis and molecular structure of new acyclic analogues of nucleotides with a 1,2-alkadienic skeleton.","Organic & biomolecular chemistry","2003","1","23","4220","4226","10.1039/b309684j","","","0.71073","MoKα","","0.0376","0.0376","","","0.1059","0.1059","","","","","","1.068","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151572","6.444","0.001","11.612","0.002","12.764","0.002","90","","98","0.01","90","","945.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-N-benzylamino-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C42 H50 N2 O10 -","2","1","","Emmerson, Daniel P. G.; Villard, Renaud; Mugnaini, Claudia; Batsanov, Andrei; Howard, Judith A. K.; Hems, William P.; Tooze, Robert P.; Davis, Benjamin G.","Precise structure activity relationships in asymmetric catalysis using carbohydrate scaffolds to allow ready fine tuning: dialkylzinc?aldehyde additionsThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3826","","10.1039/b309715n","","","0.71073","MoKα","","0.0358","0.0344","","","0.0932","0.0948","","","","","","1.064","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151573","6.282","0.001","19.484","0.004","10.205","0.002","90","","90.22","0.01","90","","1249.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-N,N-dibenzylamino-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside","","- C28 H31 N O5 -","- C28 H31 N O5 -","- C56 H62 N2 O10 -","2","1","","Emmerson, Daniel P. G.; Villard, Renaud; Mugnaini, Claudia; Batsanov, Andrei; Howard, Judith A. K.; Hems, William P.; Tooze, Robert P.; Davis, Benjamin G.","Precise structure activity relationships in asymmetric catalysis using carbohydrate scaffolds to allow ready fine tuning: dialkylzinc?aldehyde additionsThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3826","","10.1039/b309715n","","","0.71073","MoKα","","0.0329","0.0311","","","0.0773","0.0785","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151574","10.073","0.001","19.17","0.001","13.434","0.001","90","","105.6","0.01","90","","2498.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-N,N-dibenzylamino-4,6-O-benzylidene-2-deoxy-β-D-glucopyranoside","","- C28 H31 N O5 -","- C28 H31 N O5 -","- C112 H124 N4 O20 -","4","2","","Emmerson, Daniel P. G.; Villard, Renaud; Mugnaini, Claudia; Batsanov, Andrei; Howard, Judith A. K.; Hems, William P.; Tooze, Robert P.; Davis, Benjamin G.","Precise structure activity relationships in asymmetric catalysis using carbohydrate scaffolds to allow ready fine tuning: dialkylzinc?aldehyde additionsThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3826","","10.1039/b309715n","","","0.71073","MoKα","","0.0566","0.0422","","","0.0839","0.0918","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151578","7.511","0.0002","12.0412","0.0005","19.598","0.0007","90","","90","","90","","1772.47","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H31 Br2 N3 -","- C13 H31 Br2 N3 -","- C52 H124 Br8 N12 -","4","1","","Argouarch, Gilles; Stones, Graham; Gibson, Colin L.; Kennedy, Alan R.; Sherrington, David C.","Bifurcated, modular syntheses of chiral annulet triazacyclononanes","Organic & Biomolecular Chemistry","2003","1","24","4408","","10.1039/b310492c","","","0.71073","MoKα","","0.0526","0.0349","","","0.0639","0.0685","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151579","8.0587","0.0008","11.2534","0.0011","22.104","0.003","90","","98.529","0.013","90","","1982.4","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl N9 -","- C21 H16 Cl N9 -","- C84 H64 Cl4 N36 -","4","1","","Angel Díaz-Ortiz; José Elguero; Concepción Foces-Foces; Antonio de la Hoz; Andrés Moreno; Sergio Moreno; Ana Sánchez-Migallón; Gema Valiente","Synthesis, structural determination and dynamic behavior of 2-chloro-4,6-bis(pyrazolylamino)-1,3,5-triazines","Org. Biomol. Chem.","2003","1","24","4451","4457","10.1039/b310693d","","","1.54178","CuK\α","","0.054","0.043","","0.062","","0.055","","","0.984","","","0.972","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151580","4.0483","0.001","10.844","0.003","13.748","0.003","90","","97.19","0.005","90","","598.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Chloro[1,3]dithiole-2-thione","","- C3 H Cl S3 -","- C3 H Cl S3 -","- C12 H4 Cl4 S12 -","4","1","","Suizu, Rie; Imakubo, Tatsuro","Synthesis and properties of hetero-halogenated TTFsElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/ob/b3/b310822h/","Organic & Biomolecular Chemistry","2003","1","21","3629","","10.1039/b310822h","","","0.71073","MoKα","","0.0403","0.0378","","","0.1098","0.1112","","","","","","1.17","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151581","6.7584","0.0015","4.0939","0.0009","22.946","0.005","90","","97.097","0.004","90","","630","0.2","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C8 H2 Cl I N2 S2 Se2 -","- C8 H2 Cl I N2 S2 Se2 -","- C16 H4 Cl2 I2 N4 S4 Se4 -","2","1","","Suizu, Rie; Imakubo, Tatsuro","Synthesis and properties of hetero-halogenated TTFsElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/ob/b3/b310822h/","Organic & Biomolecular Chemistry","2003","1","21","3629","","10.1039/b310822h","","","0.71073","MoKα","","0.0628","0.0602","","","0.1572","0.1595","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151582","10.1391","0.0005","8.2152","0.0004","14.6853","0.0005","90","","96.703","0.003","90","","1214.85","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 F3 O2 -","- C13 H17 F3 O2 -","- C52 H68 F12 O8 -","4","1","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0503","0.0352","","","0.0858","0.0933","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151583","8.7576","0.0004","13.7337","0.001","9.8743","0.0004","90","","106.53","0.002","90","","1138.54","0.11","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H10 Cl F5 O -","- C10 H10 Cl F5 O -","- C40 H40 Cl4 F20 O4 -","4","2","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0272","0.0254","","","0.0594","0.0604","","","","","","1.068","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151584","7.979","0.001","9.742","0.001","14.053","0.002","90","","90","","90","","1092.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl F5 O -","- C10 H10 Cl F5 O -","- C40 H40 Cl4 F20 O4 -","4","1","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0334","0.0283","","","0.0598","0.0621","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151585","5.996","0.001","8.007","0.002","11.386","0.002","80.9","0.03","87.03","0.03","78.66","0.03","529.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 F6 O -","- C10 H10 F6 O -","- C20 H20 F12 O2 -","2","1","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0493","0.0425","","","0.1189","0.1248","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151586","11.1132","0.0002","11.0996","0.0002","13.8507","0.0003","90","","102.89","0.0012","90","","1665.46","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 F5 N O3 -","- C15 H20 F5 N O3 -","- C60 H80 F20 N4 O12 -","4","1","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0454","0.0344","","","0.08","0.0854","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151587","6.6969","0.0004","7.0489","0.0006","10.9328","0.0007","77.964","0.006","75.679","0.009","80.977","0.008","486.04","0.06","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C24 H28 O4 -","2","1","","Hue, Bui T. B.; Dijkink, Jan; Kuiper, Sanne; Larson, Kimberly K.; Guziec, Jr, Frank S; Goubitz, Kees; Fraanje, Jan; Schenk, Henk; van Maarseveen, Jan H.; Hiemstra, Henk","Synthesis of the cyclobutanone core of solanoeclepin A intramolecular allene butenolide photocycloaddition.","Organic & biomolecular chemistry","2003","1","24","4364","4366","10.1039/b311415e","","","1.5418","CuKα","","0.085","0.079","","0.104","","0.099","","","0.989","","","0.996","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151588","7.0166","0.0003","10.5703","0.0006","13.7222","0.0013","90","","102.88","0.005","90","","992.13","0.12","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Hue, Bui T. B.; Dijkink, Jan; Kuiper, Sanne; Larson, Kimberly K.; Guziec, Jr, Frank S; Goubitz, Kees; Fraanje, Jan; Schenk, Henk; van Maarseveen, Jan H.; Hiemstra, Henk","Synthesis of the cyclobutanone core of solanoeclepin A intramolecular allene butenolide photocycloaddition.","Organic & biomolecular chemistry","2003","1","24","4364","4366","10.1039/b311415e","","","1.5418","CuKα","","0.078","0.071","","0.066","","0.064","","","1.031","","","1.09","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7213049","18.856","0.003","13.736","0.004","12.722","0.002","90","","90.156","0.01","90","","3295.1","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cu3 Mo N6 O S4 -","- C26 H25 Cu3 Mo N6 O S4 -","- C104 H100 Cu12 Mo4 N24 O4 S16 -","4","1","","Hou, Hongwei; Ghee Ang, How; Gek Ang, Siau; Fan, Yaoting; Low, Michael K. M.; Ji, Wei; Wang Lee, Yiew","Synthesis, crystal structure and large third-order nonlinear optical properties of two novel nest-shaped clusters [MOS3Cu3(SCN)(Py)5] (M=Mo, W)","Physical Chemistry Chemical Physics","1999","1","13","3145","","10.1039/a901789e","","","0.71073","MoKα","","0.0554","0.0321","","","0.0713","0.0869","","","","","","0.839","","","","has coordinates","301864","2025-08-22","15:14:31",""
"7213065","12.812","0.002","9.449","0.001","8.199","0.001","111.55","0.01","74.84","0.01","111.21","0.01","851.1","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","2,4-Cyclohexadiene-1-one-2,4-dinitro-6-[2-(1,3,3-trimethyl-2- indolinidene)ethylidene]","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C38 H34 N6 O10 -","2","1","","Hobley, Jonathan; Malatesta, Vincenzo; Millini, Roberto; Montanari, Luciano; O Neil Parker, Jr, Wallace","Proton exchange and isomerisation reactions of photochromic and reverse photochromic spiro-pyrans and their merocyanine forms","Physical Chemistry Chemical Physics","1999","1","14","3259","","10.1039/a902379h","","","0.71069","MoKα","","","0.0518","","0.1088","","","","","1.887","","","1.231","","","","has coordinates","282086","2023-03-28","13:50:54",""
"7217109","10.468","0.007","13.484","0.003","5.7549","0.0011","90","","90","","90","","812.3","0.6","100","","100","","","","","","","","","3","P c c n","-P 2ab 2ac","56","N-aminopyrazole","1-aminopyrazole","","- C3 H5 N3 -","- C3 H5 N3 -","- C24 H40 N24 -","8","1","","Antonio Jime´nez, Jose´; María Claramunt, Rosa; Mó, Otilia; Yáñez, Manuel; Wehrmann, Frank; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Goddard, Richard; Elguero, Jose´","The structure of N-aminopyrazole in the solid state and in solution: an experimental and computational study","Physical Chemistry Chemical Physics","1999","1","22","5113","","10.1039/a906187h","","","0.71069","MoKα","","0.0662","0.0575","","","0.1327","0.1438","","","","","","1.144","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217110","21.791","0.002","21.791","0.002","26.958","0.003","90","","90","","90","","12801","2","293","2","293","2","","","","","","","","6","P 4 c c","P 4 -2c","103","","sodium p-tert-butyl[25,26,27-28-tetrakis(2-pyridylmethyl)oxy] calix(4)arene monoacetonitrile perchlorate","","- C70 H79 Cl N5 Na O8 -","- C70 H40 Cl N5 Na O8 -","- C560 H320 Cl8 N40 Na8 O64 -","8","1","","Danil de Namor, Angela F.; Castellano, Eduardo E.; Pulcha Salazar, Lupe E.; Piro, Oscar E.; Jafou, Olga","Thermodynamics of cation (alkali-metal) complexation by 5,11,17,23-tetra-tert-butyl[25,26,27,28-tetrakis(2-pyridylmethyl)oxy]- calix(4)arene and the crystal structure‒superstructure of its 1:1 complex with sodium and acetonitrile","Physical Chemistry Chemical Physics","1999","1","2","285","","10.1039/a806902f","","","1.54184","CuKα","","0.137","0.1029","","0.3382","0.294","","","","1.067","1.214","1.214","","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217111","8.0254","0.0011","7.4851","0.0014","17.7967","0.0033","90","","90.98","0.02","90","","1068.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-bis(dimethylamino)-2,4-dihydroxy-cyclobutendiylium dihydroxide, bis(inner salt), dihydrate","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C32 H64 N8 O16 -","4","1","","Lunelli, Bruno; Soave, Raffaella; Destro, Riccardo","Structure and stability of bis(dimethylamino)squaraine and its hydrates: A study using XRD, IR spectroscopy, and thermodynamic measurements","Physical Chemistry Chemical Physics","1999","1","7","1469","","10.1039/a808403c","","","0.71073","MoKa","","0.0706","0.0359","","0.097","0.0879","","","","0.877","1.084","1.084","","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217112","21.6397","0.0033","8.3029","0.001","7.1004","0.0007","90","","90","","90","","1275.7","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,3-bis(dimethylamino)-2,4-dihydroxy-cyclobutendiylium dihydroxide, bis(inner salt), tetrahydrate.","","- C4 H10 N O3 -","- C4 H10 N O3 -","- C32 H80 N8 O24 -","8","1","","Lunelli, Bruno; Soave, Raffaella; Destro, Riccardo","Structure and stability of bis(dimethylamino)squaraine and its hydrates: A study using XRD, IR spectroscopy, and thermodynamic measurements","Physical Chemistry Chemical Physics","1999","1","7","1469","","10.1039/a808403c","","","0.71073","MoKa","","0.046","0.0372","","0.1052","0.0971","","","","1.072","1.103","1.103","","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217113","12.8581","0.0002","12.8581","0.0002","13.2833","0.0003","90","","90","","90","","2196.14","0.07","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C50 H61 F O4 -","- C50 H61 F O4 -","- C100 H122 F2 O8 -","2","0.25","","Brouwer, Eric B.; Gougeon, Regis D. M.; Hirschinger, Je´rôme; Udachin, Kostantin A.; Harris, Robin K.; Ripmeester, John A.","Intermolecular distance measurements in supramolecular solids: 13C‒19F REDOR NMR spectroscopy of p-tert-butylcalix[4]arene‒fluorobenzene","Physical Chemistry Chemical Physics","1999","1","17","4043","","10.1039/a904189c","","","0.71073","MoKα","","0.0625","0.0477","","","0.1308","0.1464","","","","","","1.021","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7221305","13.89","","7.286","","5.172","","90","","90","","90","","523.42","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Cl (C O) S N S O","","- C Cl N O2 S2 -","- C Cl N O2 S2 -","- C4 Cl4 N4 O8 S8 -","4","1","","Romano, R.M.; Della Vedova, C.O.; Boese, R.; Hildebrandt, P.","Structural and spectroscopic characterization of Cl C (O) S N S O. A theoretical and experimental study","Physical Chemistry Chemical Physics","1999","1","","2551","2557","","","","","","","","","","","","","","","","","","","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7222914","6.24","","6.24","","3.53","","90","","90","","120","","119.035","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Y (O H)3","","- H3 O3 Y -","- O3 Y -","- O6 Y2 -","2","0.166667","","Schubert, K.; Seitz, A.","Kristallstruktur von Y(OH)~3~","Zeitschrift für Naturforschung A","1946","1","6","321","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222942","9.8139","","8.8615","","6.837","","90","","107.67","","90","","566.533","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Cr.738 Fe.262) (V O4)","","- Cr0.738 Fe0.262 O4 V -","- Cr0.738 Fe0.262 O4 V -","- Cr5.904 Fe2.096 O32 V8 -","8","1","","Attfield, J.P.; Cheetham, A.K.; Johnson, D.C.; Novet, T.","Magnetic frustration,spirals and short range order in CrxFe1-xVO4-I solid solutions","Journal of Materials Chemistry","1991","1","","867","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222960","5.495","","5.495","","13.234","","90","","90","","120","","346.065","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.8 Sr0.2) Cu O2.64","","- Cu La0.8 O2.64 Sr0.2 -","- Cu La0.8 O2.64 Sr0.2 -","- Cu6 La4.8 O15.84 Sr1.2 -","6","0.166667","","Currie, D.B.; Weller, M.T.","Structure of La0.8 Sr0.2 Cu O2.64 Powder neutron diffraction on very small sample volumes","Journal of Materials Chemistry","1991","1","","295","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222994","7.5247","","7.5247","","9.9657","","90","","90","","120","","488.671","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Li Ca (P O4)","","- Ca Li O4 P -","- Ca Li O4 P -","- Ca6 Li6 O24 P6 -","6","1","","Lightfoot, P.; Pienkowski, M.C.; Bruce, P.G.; Abrahams, I.","Synthesis and structure of LiCaPO4 by combined x-ray and neutron powder diffraction","Journal of Materials Chemistry","1991","1","","1061","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223698","3.9033","","3.9033","","7.4925","","90","","90","","90","","114.154","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Sr2 Cu O2 (C O3)","","- C Cu O5 Sr2 -","- C Cu O5 Sr2 -","- C Cu O5 Sr2 -","1","0.0625","","Narendra Babu, T.G.; Fish, D.J.; Greaves, C.","Synthesis, structure and electric properties of Sr2CuO2 (CO3), an oxide carbonate related to perovskite","Journal of Materials Chemistry","1991","1","","677","679","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7233076","9.301","0.004","12.332","0.005","17.567","0.007","90","","103.82","0.009","90","","1956.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 B F2 N2 Si -","- C20 H23 B F2 N2 Si -","- C80 H92 B4 F8 N8 Si4 -","4","1","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.3129","0.1272","","","0.3024","0.3528","","","","","","1.053","","","","has coordinates","216974","2020-10-21","18:00:00",""
"7233077","6.88","0.003","10.87","0.005","26.448","0.012","90","","93.084","0.009","90","","1975.1","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H23 B F2 N2 Si -","- C20 H23 B F2 N2 Si -","- C80 H92 B4 F8 N8 Si4 -","4","2","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.1964","0.1176","","","0.267","0.311","","","","","","1.036","","","","has coordinates","216975","2020-10-21","18:00:00",""
"7233078","9.0644","0.0018","13.838","0.003","17.166","0.003","84.182","0.009","89.033","0.01","78.19","0.009","2096.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 B F2 N2 Si -","- C22 H27 B F2 N2 Si -","- C88 H108 B4 F8 N8 Si4 -","4","2","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.1584","0.108","","","0.2556","0.2772","","","","","","1.104","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233079","30.7303","0.0015","6.5809","0.0003","20.933","0.001","90","","90","","90","","4233.3","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H27 B F2 N2 Si -","- C22 H27 B F2 N2 Si -","- C176 H216 B8 F16 N16 Si8 -","8","2","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.0965","0.0686","","","0.1624","0.1849","","","","","","1.019","","","","has coordinates","216977","2020-10-21","18:00:00",""
"7233080","8.957","0.004","14.264","0.007","17.227","0.008","81.589","0.009","88.643","0.008","87.439","0.009","2174.8","1.8","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 B F2 N2 Si -","- C22 H27 B F2 N2 Si -","- C88 H108 B4 F8 N8 Si4 -","4","2","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.1493","0.087","","","0.2063","0.2428","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233081","11.4876","0.0011","19.033","0.003","21.883","0.003","78.208","0.012","88.161","0.01","79.175","0.011","4600.2","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.39 H40.78 Cl2.78 F10 Ir N8 P -","- C38.39 H40.78 Cl2.78 F10 Ir N8 P -","- C153.56 H163.12 Cl11.12 F40 Ir4 N32 P4 -","4","2","","Sebastian B. Meier; Wiebke Sarfert; Jose M. Junquera-Hernandez; Manuel Delgado; Daniel Tordera; Enrique Orti; Henk J. Bolink; Florian Kessler; Rosario Scopelliti; Michael Gratzel; M. Khaja Nazeeruddind; Etienne Baranoff","A deep-blue emitting charged bis-cyclometallated iridium(III) complex for light-emitting electrochemical cells","Journal of Materials Chemistry C","2013","1","","58","68","10.1039/C2TC00251E","","","0.71073","MoKα","","0.0837","0.0505","","","0.0998","0.1155","","","","","","1.051","","","","has coordinates,has disorder","216979","2020-10-21","18:00:00",""
"7233082","10.581","0.002","11.669","0.002","17.239","0.003","72.23","0.03","79.69","0.03","75.14","0.03","1947.4","0.7","291","2","291","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H24 Eu F9 N2 O8 S2 Zn -","- C35 H24 Eu F9 N2 O8 S2 Zn -","- C70 H48 Eu2 F18 N4 O16 S4 Zn2 -","2","1","","Shimin Wang; Bin Zhang; Yanhui Hou; Chenxia Du; Yangjie Wu","A highly pure red luminescent europium(III) complex with a Schiff base zinc(II) complex as a neutral ligand","Journal of Materials Chemistry C","2013","1","","406","409","10.1039/C2TC00279E","","","0.71073","MoKα","","0.1055","0.069","","","0.1371","0.1558","","","","","","1.054","","","","has coordinates,has disorder","216980","2020-10-21","18:00:00",""
"7233112","34.9751","0.0013","9.6151","0.0003","15.9638","0.0006","90","","109.068","0.002","90","","5073.9","0.3","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H16 Cl2 F4 Ir N5 O2 -","- C27 H16 Cl2 F4 Ir N5 O2 -","- C216 H128 Cl16 F32 Ir8 N40 O16 -","8","1","","Youngjin Kang; Yi-Lu Chang; Jia-Sheng Lu; Soo-Byung Ko; Yingli Rao; Maria Varlan; Zheng-Hong Luc; Suning Wang","Highly efficient blue phosphorescent and electroluminescent Ir(III) compounds","Journal of Materials Chemistry C","2013","1","","441","450","10.1039/C2TC00270A","","","0.71073","MoKα","","0.0575","0.041","","","0.0935","0.0993","","","","","","1.068","","","","has coordinates","217022","2020-10-21","18:00:00",""
"7233113","7.6661","0.0001","18.1556","0.0003","16.2735","0.0003","90","","99.199","0.001","90","","2235.86","0.06","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 F4 Ir N4 O2 -","- C25 H17 F4 Ir N4 O2 -","- C100 H68 F16 Ir4 N16 O8 -","4","1","","Youngjin Kang; Yi-Lu Chang; Jia-Sheng Lu; Soo-Byung Ko; Yingli Rao; Maria Varlan; Zheng-Hong Luc; Suning Wang","Highly efficient blue phosphorescent and electroluminescent Ir(III) compounds","Journal of Materials Chemistry C","2013","1","","441","450","10.1039/C2TC00270A","","","0.71073","MoKα","","0.0296","0.0246","","","0.0602","0.0631","","","","","","1.03","","","","has coordinates","217023","2020-10-21","18:00:00",""
"7233114","9.6512","0.0008","22.813","0.002","19.5335","0.0017","90","","93.96","0.002","90","","4290.5","0.6","90","2","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 B Cl2 Cu N4 P2 -","- C49 H42 B Cl2 Cu N4 P2 -","- C196 H168 B4 Cl8 Cu4 N16 P8 -","4","1","","Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Masataka Yashima; Mikio Hoshinoa; Masahisa Osawa","Highly efficient green organic light-emitting diodes containing luminescent tetrahedral copper(I) complexes","Journal of Materials Chemistry C","2013","1","","542","551","10.1039/C2TC00263A","","","0.71073","MoKα","","0.0759","0.0677","","","0.1658","0.1721","","","","","","1.12","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233115","12.4467","0.0008","13.2352","0.0011","13.7652","0.0009","89.778","0.004","70.725","0.004","78.648","0.003","2094","0.3","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H32 B Cu F8 N4 P2 -","- C48 H32 B Cu F8 N4 P2 -","- C96 H64 B2 Cu2 F16 N8 P4 -","2","1","","Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Masataka Yashima; Mikio Hoshinoa; Masahisa Osawa","Highly efficient green organic light-emitting diodes containing luminescent tetrahedral copper(I) complexes","Journal of Materials Chemistry C","2013","1","","542","551","10.1039/C2TC00263A","","","0.71073","MoKα","","0.0344","0.0297","","","0.0802","0.083","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233116","12.6861","0.0016","20.39","0.003","44.345","0.006","90","","90","","90","","11471","3","90","","90","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H32 B Cu F24 N4 P2 -","- C56 H32 B Cu F24 N4 P2 -","- C448 H256 B8 Cu8 F192 N32 P16 -","8","1","","Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Masataka Yashima; Mikio Hoshinoa; Masahisa Osawa","Highly efficient green organic light-emitting diodes containing luminescent tetrahedral copper(I) complexes","Journal of Materials Chemistry C","2013","1","","542","551","10.1039/C2TC00263A","","","0.71073","MoKα","","0.0804","0.0671","","","0.1561","0.1642","","","","","","1.132","","","","has coordinates","217026","2020-10-21","18:00:00",""
"7233117","25.213","0.002","16.3919","0.0013","26.065","0.003","90","","90","","90","","10772.4","1.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H30 F18 Ir N3 O2 P2 -","- C52 H30 F18 Ir N3 O2 P2 -","- C416 H240 F144 Ir8 N24 O16 P16 -","8","1","","Hong-Yan Li; Liang Zhou; Ming-Yu Teng; Qiu-Lei Xu; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Hong-Jie Zhangb; Xiao-Zeng Youa","Highly efficient green phosphorescent OLEDs based on a novel iridium complex","Journal of Materials Chemistry C","2013","1","","560","565","10.1039/C2TC00052K","","","0.71073","MoKα","","0.0624","0.0371","","","0.0896","0.0983","","","","","","1.055","","","","has coordinates,has disorder","217027","2020-10-21","18:00:00",""
"7233118","7.6164","0.0006","6.5945","0.0006","6.3107","0.0005","90","","90","","90","","316.96","0.05","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Cu3 P S0.71 Se3.29 -","- Cu3 P S0.711 Se3.289 -","- Cu6 P2 S1.422 Se6.578 -","2","0.5","","Vorranutch Itthibenchapong; Robert S. Kokenyesi; Andrew J. Ritenour; Lev N. Zakharov; Shannon W. Boettcher; John F. Wagerd; Douglas A. Keszler","Earth-abundant Cu-based chalcogenide semiconductors as photovoltaic absorbers","Journal of Materials Chemistry C","2013","1","","657","652","10.1039/C2TC00106C","","","0.71073","MoKα","","0.0294","0.0283","","","0.066","0.0678","","","","","","1","","","","has coordinates","217028","2020-10-21","18:00:00",""
"7233119","7.5034","0.0005","6.4951","0.0005","6.2174","0.0004","90","","90","","90","","303.01","0.04","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Cu3 P S1.89 Se2.11 -","- Cu3 P S1.896 Se2.104 -","- Cu6 P2 S3.792 Se4.208 -","2","0.5","","Vorranutch Itthibenchapong; Robert S. Kokenyesi; Andrew J. Ritenour; Lev N. Zakharov; Shannon W. Boettcher; John F. Wagerd; Douglas A. Keszler","Earth-abundant Cu-based chalcogenide semiconductors as photovoltaic absorbers","Journal of Materials Chemistry C","2013","1","","657","652","10.1039/C2TC00106C","","","0.71073","MoKα","","0.0252","0.0242","","","0.0574","0.0582","","","","","","1.048","","","","has coordinates","217029","2020-10-21","18:00:00",""
"7233120","9.524","0.002","13.963","0.003","14.858","0.003","73.185","0.003","74.497","0.003","73.671","0.003","1777.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 F4 Ir N5 -","- C41 H36 F4 Ir N5 -","- C82 H72 F8 Ir2 N10 -","2","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKα","","0.0622","0.0506","","","0.1126","0.1162","","","","","","0.994","","","","has coordinates","217030","2020-10-21","18:00:00",""
"7233121","10.378","0.003","10.421","0.003","17.146","0.005","85.018","0.003","81.768","0.003","79.502","0.004","1801","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H40 Ir N5 -","- C45 H40 Ir N5 -","- C90 H80 Ir2 N10 -","2","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKα","","0.0326","0.0291","","","0.0686","0.0696","","","","","","1.006","","","","has coordinates","217031","2020-10-21","18:00:00",""
"7233122","9.13","0.008","17.026","0.014","24.47","0.02","88.939","0.013","89.1","0.012","87.355","0.012","3799","6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H40 Ir N5 O2 -","- C45 H40 Ir N5 O2 -","- C180 H160 Ir4 N20 O8 -","4","2","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKα","","0.1298","0.092","","","0.213","0.2235","","","","","","1.117","","","","has coordinates","217032","2020-10-21","18:00:00",""
"7233123","9.311","0.006","16.719","0.011","24.391","0.017","90","","90.481","0.012","90","","3797","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 Ir N5 S2 -","- C45 H40 Ir N5 S2 -","- C180 H160 Ir4 N20 S8 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKα","","0.0795","0.0422","","","0.0609","0.0667","","","","","","0.655","","","","has coordinates","217033","2020-10-21","18:00:00",""
"7233124","10.335","0.005","13.42","0.007","17.234","0.009","80.228","0.007","77.838","0.007","72.643","0.007","2216","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 Ir N5 S2 -","- C52 H48 Ir N5 S2 -","- C104 H96 Ir2 N10 S4 -","2","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKa","","0.0546","0.0423","","","0.0807","0.0831","","","","","","0.913","","","","has coordinates","217034","2020-10-21","18:00:00",""
"7233125","14.992","0.007","29.691","0.014","10.583","0.005","90","","106.707","0.007","90","","4512","4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(Piq)2Ir{iPrN)2C(NPh2)}]","","","- C56 H52 Ir N5 -","- C56 H52 Ir N5 -","- C224 H208 Ir4 N20 -","4","0.5","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKα","","0.0494","0.0346","","","0.0611","0.0631","","","","","","0.859","","","","has coordinates","217035","2020-10-21","18:00:00",""
"7233126","17.668","0.007","18.234","0.008","9.624","0.004","90","","98.597","0.007","90","","3066","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl N3 Pt -","- C36 H36 Cl N3 Pt -","- C144 H144 Cl4 N12 Pt4 -","4","1","","Dongfang Qiu; Xiaoyu Bao; Qian Zhao; Yu-Quan Feng; Hongwei Wang; Kecheng Liu","Electrochromic and proton-induced phosphorescence properties of Pt(II) chlorides with arylamine functionalized cyclometalating ligands","Journal of Materials Chemistry C","2013","1","","695","704","10.1039/C2TC00196A","","","0.71073","MoKα","","0.1254","0.0571","","","0.1164","0.1466","","","","","","1.089","","","","has coordinates","217036","2020-10-21","18:00:00",""
"7233127","7.1914","0.0004","7.9109","0.0004","20.1775","0.0011","96.509","0.007","93.7","0.014","93.897","0.01","1134.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl2 N2 O12 -","- C18 H20 Cl2 N2 O12 -","- C36 H40 Cl4 N4 O24 -","2","1","","Xue-Jun Zhou; Cheng Chen; Cai-Xia Ren; Jian-Ke Sun; Jie Zhang","Tunable solid-state photoluminescence based on proton-triggered structural transformation of 4,4'-bipyridinium derivative","Journal of Materials Chemistry C","2013","1","","744","750","10.1039/C2TC00111J","","","0.71073","MoKα","","0.0859","0.0675","","","0.1189","0.1275","","","","","","1.014","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7233128","9.2324","0.0002","21.4758","0.0006","9.494","0.0002","90","","96.749","0.002","90","","1869.36","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N2 O7 -","- C18 H15 Cl N2 O7 -","- C72 H60 Cl4 N8 O28 -","4","1","","Xue-Jun Zhou; Cheng Chen; Cai-Xia Ren; Jian-Ke Sun; Jie Zhang","Tunable solid-state photoluminescence based on proton-triggered structural transformation of 4,4'-bipyridinium derivative","Journal of Materials Chemistry C","2013","1","","744","750","10.1039/C2TC00111J","","","1.54178","CuKα","","0.081","0.0702","","","0.1629","0.1705","","","","","","1.068","","","","has coordinates,has disorder","217038","2020-10-21","18:00:00",""
"7233129","27.357","0.005","8.6859","0.0008","18.312","0.003","90","","119.076","0.007","90","","3802.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N2 O7 -","- C18 H14 N2 O7 -","- C144 H112 N16 O56 -","8","1","","Xue-Jun Zhou; Cheng Chen; Cai-Xia Ren; Jian-Ke Sun; Jie Zhang","Tunable solid-state photoluminescence based on proton-triggered structural transformation of 4,4'-bipyridinium derivative","Journal of Materials Chemistry C","2013","1","","744","750","10.1039/C2TC00111J","","","0.71073","MoKα","","0.1174","0.0701","","","0.2041","0.28","","","","","","1.028","","","","has coordinates","217039","2020-10-21","18:00:00",""
"7233130","10.7639","0.0006","28.0012","0.0015","14.6392","0.0008","90","","90.031","0.01","90","","4412.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Ir N3 O3 -","- C54 H42 Ir N3 O3 -","- C216 H168 Ir4 N12 O12 -","4","1","","Guiping Tan; Shuming Chen; Ning Sun; Yanhu Li; Daniel Fortin; Wai-Yeung Wong; Hoi-Sing Kwok; Dongge Ma; Hongbin Wu; Lixiang Wang; Pierre D. Harvey","Highly efficient iridium(III) phosphors with phenoxy-substituted ligands and their high-performance OLEDs","Journal of Materials Chemistry C","2013","1","","808","821","10.1039/C2TC00123C","","","0.71073","MoKα","","0.0455","0.0285","","","0.0661","0.0731","","","","","","1.014","","","","has coordinates","217040","2020-10-21","18:00:00",""
"7233131","10.1672","0.0011","11.4723","0.0013","29.66","0.003","90","","95.018","0.002","90","","3446.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Ir N2 O4 -","- C41 H35 Ir N2 O4 -","- C164 H140 Ir4 N8 O16 -","4","1","","Guiping Tan; Shuming Chen; Ning Sun; Yanhu Li; Daniel Fortin; Wai-Yeung Wong; Hoi-Sing Kwok; Dongge Ma; Hongbin Wu; Lixiang Wang; Pierre D. Harvey","Highly efficient iridium(III) phosphors with phenoxy-substituted ligands and their high-performance OLEDs","Journal of Materials Chemistry C","2013","1","","808","821","10.1039/C2TC00123C","","","0.71073","MoKα","","0.0525","0.0333","","","0.0725","0.079","","","","","","1.031","","","","has coordinates","217041","2020-10-21","18:00:00",""
"7233132","10.701","0.002","16.98","0.004","18.627","0.004","90","","90","","90","","3384.6","1.3","293","2","293","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C27 H26 Gd N6 O14 -","- C27 H27 Gd N6 O14 -","- C108 H108 Gd4 N24 O56 -","4","1","","Huabin Zhang; Xiaochen Shan; Liujiang Zhou; Ping Lin; Renfu Li; En Ma; Xiangguang Guo; Shaowu Du","Full-colour fluorescent materials based on mixed-lanthanide(III) metal-organic complexes with high-efficiency white light emission","Journal of Materials Chemistry C","2013","1","","888","891","10.1039/C2TC00414C","","","0.71073","MoKα","","0.0374","0.0268","","","0.0821","0.1066","","","","","","1.082","","","","has coordinates","217042","2020-10-21","18:00:00",""
"7233137","16.5479","0.0018","10.9047","0.001","17.9038","0.0018","90","","103.448","0.004","90","","3142.2","0.5","93","2","93","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C33 H33 F4 Ir N4 O2 -","- C33 H33 F4 Ir N4 O2 -","- C132 H132 F16 Ir4 N16 O8 -","4","1","","Florian Kessler; Yuichiro Watanabe; Hisahiro Sasabe; Hiroshi Katagiri; Md. K. Nazeeruddin; Michael Gratzel; Junji Kidobc","High-performance pure blue phosphorescent OLED using a novel bis-heteroleptic iridium(III) complex with fluorinated bipyridyl ligands","Journal of Materials Chemistry C","2013","1","","1070","1075","10.1039/C2TC00836J","","","0.71075","MoKα","","0.0532","0.0474","","","0.0696","0.0714","","","","","","1.24","","","","has coordinates","217054","2020-10-21","18:00:00",""
"7233138","9.99","0.0012","11.2","0.0014","17.2","0.0016","90.79","0.005","95.38","0.005","101.15","0.01","1878.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Ni7 O31 -","- C24 H26 Ni7 O30.902 -","- C48 H52 Ni14 O61.804 -","2","1","","Honghan Fei; Andrew D. LaForge; Tedmann M. Onyango; Jeremy C. Robins; Peter Y. Zavalij; Arthur P. Ramirez; Scott R. J. Oliver","Synthesis and magnetic properties of a 3-D nickel hydroxide capped by succinate","Journal of Materials Chemistry C","2013","1","","1099","1104","10.1039/C2TC00428C","","","0.71073","MoKα","","0.0501","0.0477","","","0.1055","0.1066","","","","","","1.251","","","","has coordinates","217055","2020-10-21","18:00:00",""
"7233139","11.1832","0.0007","11.4422","0.0007","16.2022","0.001","90","","109.272","0.001","90","","1957.1","0.2","173","2","173","2","","","","","","","Prof. J Harvey - Vanderbilt University","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H31 B10 N3 -","- C12 H31 B10 N3 -","- C48 H124 B40 N12 -","4","1","","Aleksandra Jankowiak; Andrzej Balinski; James E. Harvey; Kristein Mason; Adam Januszko; Piotr Kaszynski; Victor G. Young, Jr; Andre Persoons","[closo-B10H10]2- as a structural element for quadrupolar liquid crystals: a new class of liquid crystalline NLO chromophores","Journal of Materials Chemistry C","2013","1","","1144","1159","10.1039/C2TC00547F","","","0.71073","MoKα","","0.0878","0.0577","","0.1444","0.1296","","","","1.054","1.128","1.128","","","","","has coordinates","217056","2020-10-21","18:00:00",""
"7233140","10.7989","0.0002","21.0221","0.0004","17.132","0.0004","90","0.001","99.468","0.001","90","0.001","3836.25","0.14","173","2","173","2","","","","","","","James E. Harvey","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 B10 N2 S -","- C10 H28 B10 N2 S -","- C80 H224 B80 N16 S8 -","8","2","","Aleksandra Jankowiak; Andrzej Balinski; James E. Harvey; Kristein Mason; Adam Januszko; Piotr Kaszynski; Victor G. Young, Jr; Andre Persoons","[closo-B10H10]2- as a structural element for quadrupolar liquid crystals: a new class of liquid crystalline NLO chromophores","Journal of Materials Chemistry C","2013","1","","1144","1159","10.1039/C2TC00547F","","","0.71073","MoKα","","0.1031","0.058","","0.118","0.104","","","","1.059","1.165","1.165","","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7233141","9.7645","0.0012","15.716","0.002","20.148","0.003","77.516","0.002","83.823","0.002","78.246","0.002","2948.9","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H47 B10 N O S -","- C22 H47 B10 N O S -","- C88 H188 B40 N4 O4 S4 -","4","2","","Aleksandra Jankowiak; Andrzej Balinski; James E. Harvey; Kristein Mason; Adam Januszko; Piotr Kaszynski; Victor G. Young, Jr; Andre Persoons","[closo-B10H10]2- as a structural element for quadrupolar liquid crystals: a new class of liquid crystalline NLO chromophores","Journal of Materials Chemistry C","2013","1","","1144","1159","10.1039/C2TC00547F","","","0.71073","MoKα","","0.1449","0.0905","","","0.2374","0.2834","","","","","","1.049","","","","has coordinates,has disorder","217058","2020-10-21","18:00:00",""
"7233142","10.3883","0.0001","10.3883","0.0001","37.2221","0.0006","90","","90","","120","","3478.73","0.07","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Tricalcium Phosphate:Mn","Tricalcium Phosphate:Mn","","- Ca28.85 Mn2.66 O84 P21 -","- Ca28.845 Mn2.655 O84 P21 -","- Ca57.69 Mn5.31 O168 P42 -","2","0.111111","","Aurelie Bessiere; Aurelie Lecointre; Rajia Ait Benhamou; Emmanuelle Suard; Gilles Wallez; Bruno Viana","How to induce red persistent luminescence in biocompatible Ca3(PO4)2","Journal of Materials Chemistry C","2013","1","","1252","1259","10.1039/C2TC00138A","powder diffraction","","1.59438","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.9806","3.11","","","","","","","has coordinates","217059","2020-10-21","18:00:00",""
"7233143","9.795","0.005","9.798","0.005","19.81","0.005","95.148","0.005","97.711","0.005","118.407","0.005","1631.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 F10 Ir N8 P -","- C30 H26 F10 Ir N8 P -","- C60 H52 F20 Ir2 N16 P2 -","2","1","","Guo-Gang Shan; Hai-Bin Li; Hai-Zhu Sun; Dong-Xia Zhu; Hong-Tao Cao; Zhong-Min Su","Controllable synthesis of iridium(III)-based aggregation-induced emission and/or piezochromic luminescence phosphors by simply adjusting the substitution on ancillary ligands","Journal of Materials Chemistry C","2013","1","","1440","1449","10.1039/C2TC00558A","","","0.71069","MoKα","","0.1082","0.0993","","","0.2611","0.2662","","","","","","1.086","","","","has coordinates","217060","2020-10-21","18:00:00",""
"7233144","6.9519","0.0012","7.871","0.0013","38.831","0.007","90","","92.118","0.003","90","","2123.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,7-Bis-(pentafluorobenzoyl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Bis-(pentafluorobenzoyl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C24 H2 F10 O4 S2 -","- C24 H2 F10 O4 S2 -","- C96 H8 F40 O16 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0693","0.0429","","","0.0909","0.106","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233145","8.542","0.0009","5.9376","0.0006","44.37","0.005","90","","93.56","0.002","90","","2246.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,7-Bis-(4-trifluoromethylbenzoyl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Bis-(4-trifluoromethylbenzoyl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C26 H10 F6 O4 S2 -","- C26 H10 F6 O4 S2 -","- C104 H40 F24 O16 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0739","0.0544","","","0.113","0.1221","","","","","","1.117","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233146","11.659","0.007","16.482","0.009","22.503","0.013","75.532","0.011","89.384","0.013","87.65","0.011","4184","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,7-Bis-(3,5-di-trifluromethylbenzo-1-yl) -benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Bis-(3,5-di-trifluromethylbenzo-1-yl) -benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C28 H8 F12 O4 S2 -","- C28 H8 F12 O4 S2 -","- C168 H48 F72 O24 S12 -","6","3","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.1776","0.0974","","","0.2338","0.3094","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233147","14.6242","0.001","17.9041","0.0013","21.1195","0.0015","90","","109.098","0.001","90","","5225.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2,7-Bis-(pentafluorobenzoyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","2,7-Bis-(pentafluorobenzoyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","","- C26 H8 F10 N2 O6 S2 -","- C26 H8 F10 N2 O6 S2 -","- C208 H64 F80 N16 O48 S16 -","8","2","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0463","0.0341","","","0.0796","0.0875","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233148","10.3282","0.0009","7.4175","0.0007","34.636","0.003","90","","94.423","0.002","90","","2645.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2,7-Bis-(4-trifluoromethylbenzoyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","2,7-Bis-(4-trifluoromethylbenzoyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","","- C28 H16 F6 N2 O6 S2 -","- C28 H16 F6 N2 O6 S2 -","- C112 H64 F24 N8 O24 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0342","0.0308","","","0.079","0.0817","","","","","","1.031","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233149","16.86","0.002","15.304","0.002","10.1282","0.0014","90","","124.484","0.002","90","","2154.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,7-Bis-(thiophen-2-oyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","2,7-Bis-(thiophen-2-oyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","","- C22 H14 N2 O6 S4 -","- C22 H14 N2 O6 S4 -","- C88 H56 N8 O24 S16 -","4","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0318","0.031","","","0.0846","0.0855","","","","","","1.103","","","","has coordinates,has disorder","217066","2020-10-21","18:00:00",""
"7233150","7.349","0.003","11.374","0.005","20.588","0.009","76.147","0.008","82.786","0.008","75.325","0.007","1612.5","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,7-Bis-(5-n-nonyl-thiophen-2-yl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Bis-(5-n-nonyl-thiophen-2-yl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C36 H44 O2 S4 -","- C36 H44 O2 S4 -","- C72 H88 O4 S8 -","2","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.1319","0.069","","","0.152","0.1801","","","","","","0.975","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233151","5.4624","0.001","34.996","0.006","14.787","0.003","90","","90","","90","","2826.7","0.9","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","2,7-Bis-(4-n-hexyl-thiophene-2-yl)-benzo[1,2-d:4,3-d']bis(thiazole)-4,5-dione","2,7-Bis-(4-n-hexyl-thiophene-2-yl)-benzo[1,2-d:4,3-d']bis(thiazole)-4,5-dione","","- C28 H30 N2 O2 S4 -","- C28 H30 N2 O2 S4 -","- C112 H120 N8 O8 S16 -","4","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0621","0.0385","","","0.0881","0.1019","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233152","11.205","0.006","11.868","0.007","16.094","0.009","103.904","0.011","97.871","0.011","94.16","0.011","2046","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","2,7-Bis-(4-n-hexyl-5-trimethylsilylthiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis- (1,3-dioxolane)","2,7-Bis-(4-n-hexyl-5-trimethylsilylthiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis- (1,3-dioxolane)","","- C38 H54 N2 O4 S4 Si2 -","- C38 H54 N2 O4 S4 Si2 -","- C76 H108 N4 O8 S8 Si4 -","2","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0578","0.0441","","","0.1115","0.1223","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233153","7.4786","0.0008","21.309","0.002","12.5339","0.0013","90","","94.645","0.002","90","","1990.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,7-Bis-(thiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","2,7-Bis-(thiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","","- C20 H14 N2 O4 S4 -","- C20 H14 N2 O4 S4 -","- C80 H56 N8 O16 S16 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0539","0.038","","","0.0886","0.0976","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233154","40.227","0.008","7.2753","0.0015","20.654","0.004","90","","116.42","0.03","90","","5413","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-(5-Pentafluorobenzoyl-thiophen-2-yl)-7-(thiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)- 4,5-bis-(1,3-dioxolane)","2-(5-Pentafluorobenzoyl-thiophen-2-yl)-7-(thiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)- 4,5-bis-(1,3-dioxolane)","","- C27 H13 F5 N2 O5 S4 -","- C27 H13 F5 N2 O5 S4 -","- C216 H104 F40 N16 O40 S32 -","8","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.2616","0.1661","","","0.3989","0.4616","","","","","","1.401","","","","has coordinates","217071","2020-10-21","18:00:00",""
"7233155","5.3435","0.0004","20.1523","0.0015","24.6864","0.0018","90","","92.021","0.001","90","","2656.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-Bis-(thiophen-2-yl)-3,5-di-n-hexyl-4H-cyclopenta[1,2-b:5,4-b'] dithiophen-4-one","2,6-Bis-(thiophen-2-yl)-3,5-di-n-hexyl-4H-cyclopenta[1,2-b:5,4-b'] dithiophen-4-one","","- C29 H32 O S4 -","- C29 H32 O S4 -","- C116 H128 O4 S16 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0775","0.0535","","","0.1169","0.13","","","","","","1.028","","","","has coordinates,has disorder","217072","2020-10-21","18:00:00",""
"7233156","3.8903","0.0007","16.656","0.003","14.363","0.003","90","","95.947","0.003","90","","925.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,7-Difluoro-benzo[1,2-b:6,5-b']dithiophene-4,5-dione-4,5-dione","2,7-Difluoro-benzo[1,2-b:6,5-b']dithiophene-4,5-dione-4,5-dione","","- C10 H2 F2 O2 S2 -","- C10 H2 F2 O2 S2 -","- C40 H8 F8 O8 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0296","0.0267","","","0.0711","0.0739","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233157","3.8509","0.0011","19.822","0.005","13.742","0.004","90","","92.669","0.006","90","","1047.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,7-Dichloro-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Dichloro-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C10 H2 Cl2 O2 S2 -","- C10 H2 Cl2 O2 S2 -","- C40 H8 Cl8 O8 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0904","0.0822","","","0.2282","0.2343","","","","","","1.225","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233158","21.681","0.0017","5.6778","0.0005","17.7679","0.0014","90","","104.249","0.001","90","","2119.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C10 H2 Br2 O2 S2 -","- C10 H2 Br2 O2 S2 -","- C80 H16 Br16 O16 S16 -","8","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0272","0.0221","","","0.0537","0.0559","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233159","12.766","0.005","6.323","0.002","17.766","0.007","90","","92.054","0.005","90","","1433.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,7-Diiodo-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Diiodo-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C10 H2 I2 O2 S2 -","- C10 H2 I2 O2 S2 -","- C40 H8 I8 O8 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0995","0.0938","","","0.2105","0.2127","","","","","","1.157","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233160","20.229","0.005","20.229","0.005","7.688","0.003","90","","90","","90","","3146","1.6","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-bis(ethyleneoxolane)","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-bis(ethyleneoxolane)","","- C14 H10 Br2 O4 S2 -","- C14 H10 Br2 O4 S2 -","- C112 H80 Br16 O32 S16 -","8","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0885","0.0468","","","0.1073","0.1347","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233161","6.907","0.003","10.238","0.003","10.674","0.004","100.888","0.006","103.524","0.006","99.264","0.004","703.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,7-Difluoro-benzo[1,2-b:6,5-b']dithiophene-4,5-bis-(ethyleneoxolane)","2,7-Difluoro-benzo[1,2-b:6,5-b']dithiophene-4,5-bis-(ethyleneoxolane)","","- C14 H10 F2 O4 S2 -","- C14 H10 F2 O4 S2 -","- C28 H20 F4 O8 S4 -","2","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0327","0.0282","","","0.0715","0.0746","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233162","14.021","0.004","7.945","0.002","14.062","0.004","90","","95.009","0.007","90","","1560.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-bis-(1,3-dioxolane)","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-bis-(1,3-dioxolane)","","- C14 H10 Br2 O4 S2 -","- C14 H10 Br2 O4 S2 -","- C56 H40 Br8 O16 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.026","0.0211","","","0.0524","0.0545","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233163","7.2936","0.001","20.532","0.003","26.509","0.004","90","","90","","90","","3969.8","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,6-Dibromo-4H-cyclopenta[1,2-b:5,4-b']dithiophen-4-one","2,6-Dibromo-4H-cyclopenta[1,2-b:5,4-b']dithiophen-4-one","","- C9 H2 Br2 O S2 -","- C9 H2 Br2 O S2 -","- C144 H32 Br32 O16 S32 -","16","4","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0523","0.045","","","0.1054","0.109","","","","","","1.102","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233164","7.9083","0.0008","8.4393","0.0008","19.2066","0.0019","90","","92.076","0.002","90","","1281","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","2,7-Bis-(pentafluorobenzoyl)-benzo[1,2-b:6,5-b'] dithiophene-4,5-bis-(ethyleneoxolane)","2,7-Bis-(pentafluorobenzoyl)-benzo[1,2-b:6,5-b'] dithiophene-4,5-bis-(ethyleneoxolane)","","- C28 H10 F10 O6 S2 -","- C28 H10 F10 O6 S2 -","- C56 H20 F20 O12 S4 -","2","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.1061","0.0432","","","0.0593","0.0716","","","","","","0.816","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233165","37.478","0.002","7.0932","0.0004","14.7217","0.0008","90","","108.247","0.001","90","","3716.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4,4'-Dibromo-2,2'-bis(4-hexyl-5-(trimethylsilyl)thiophen-2-yl)-5,5'-bithiazole","4,4'-Dibromo-2,2'-bis(4-hexyl-5-(trimethylsilyl)thiophen-2-yl)-5,5'-bithiazole","","- C32 H46 Br2 N2 S4 Si2 -","- C32 H46 Br2 N2 S4 Si2 -","- C128 H184 Br8 N8 S16 Si8 -","4","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0471","0.0356","","","0.092","0.0982","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233174","8.194","0.002","16.337","0.005","31.464","0.008","90","","90","","90","","4212","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C240 H160 N16 -","8","1","","Bilal R. Kaafarani; Ala'a O. El-Ballouli; Roman Trattnig; Alexandr Fonari; Stefan Sax; Brigitte Wex; Chad Risko; Rony S. Khnayzer; Stephen Barlow; Digambara Patra; Tatiana V. Timofeeva; Emil J. W. List; Jean-Luc Bredase; Seth R. Mardere","Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence","Journal of Materials Chemistry C","2013","1","","1638","1650","10.1039/C2TC00474G","","","0.71073","MoKα","","0.1234","0.0558","","","0.1121","0.1431","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233175","16.051","0.01","11.186","0.007","11.531","0.007","90","","94.031","0.009","90","","2065","2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 N2 -","- C52 H56 N2 -","- C104 H112 N4 -","2","0.5","","Bilal R. Kaafarani; Ala'a O. El-Ballouli; Roman Trattnig; Alexandr Fonari; Stefan Sax; Brigitte Wex; Chad Risko; Rony S. Khnayzer; Stephen Barlow; Digambara Patra; Tatiana V. Timofeeva; Emil J. W. List; Jean-Luc Bredase; Seth R. Mardere","Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence","Journal of Materials Chemistry C","2013","1","","1638","1650","10.1039/C2TC00474G","","","0.71073","MoKα","","0.0661","0.0501","","","0.1376","0.1578","","","","","","1.023","","","","has coordinates,has disorder","217107","2020-10-21","18:00:00",""
"7233176","13.167","0.005","13.192","0.005","8.213","0.003","90","","106.701","0.007","90","","1366.4","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N2 -","- C40 H28 N2 -","- C80 H56 N4 -","2","0.5","","Bilal R. Kaafarani; Ala'a O. El-Ballouli; Roman Trattnig; Alexandr Fonari; Stefan Sax; Brigitte Wex; Chad Risko; Rony S. Khnayzer; Stephen Barlow; Digambara Patra; Tatiana V. Timofeeva; Emil J. W. List; Jean-Luc Bredase; Seth R. Mardere","Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence","Journal of Materials Chemistry C","2013","1","","1638","1650","10.1039/C2TC00474G","","","0.71073","MoKα","","0.0862","0.0448","","","0.0963","0.1147","","","","","","1.006","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233177","17.743","0.002","10.9925","0.0013","11.3555","0.0014","90","","100.023","0.002","90","","2181","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 N2 -","- C56 H56 N2 -","- C112 H112 N4 -","2","0.5","","Bilal R. Kaafarani; Ala'a O. El-Ballouli; Roman Trattnig; Alexandr Fonari; Stefan Sax; Brigitte Wex; Chad Risko; Rony S. Khnayzer; Stephen Barlow; Digambara Patra; Tatiana V. Timofeeva; Emil J. W. List; Jean-Luc Bredase; Seth R. Mardere","Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence","Journal of Materials Chemistry C","2013","1","","1638","1650","10.1039/C2TC00474G","","","0.71073","MoKα","","0.1318","0.0643","","","0.132","0.1566","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233178","9.6242","0.0008","5.364","0.002","14.677","0.002","90","","105.87","0.01","90","","728.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N -","- C11 H7 N -","- C44 H28 N4 -","4","1","","Miriam Mas-Montoya; Rocio Ponce Ortiz; David Curiel; Arturo Espinosa; Magali Allain; Antonio Facchetti; Tobin J. Marks","Isomeric carbazolocarbazoles: synthesis, characterization and comparative study in Organic Field Effect Transistors","Journal of Materials Chemistry C","2013","1","","1959","1969","10.1039/C2TC00363E","","x-ray","0.71073","MoKα","","","0.067","","","","0.1347","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233179","15.341","0.003","12.123","0.001","8.5232","0.0008","90","","96.53","0.01","90","","1574.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 N2 -","- C38 H46 N2 -","- C76 H92 N4 -","2","0.5","","Miriam Mas-Montoya; Rocio Ponce Ortiz; David Curiel; Arturo Espinosa; Magali Allain; Antonio Facchetti; Tobin J. Marks","Isomeric carbazolocarbazoles: synthesis, characterization and comparative study in Organic Field Effect Transistors","Journal of Materials Chemistry C","2013","1","","1959","1969","10.1039/C2TC00363E","","x-ray","0.71073","MoKα","","","0.0761","","","","0.1873","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233180","7.6871","0.0005","9.4028","0.0006","11.9518","0.0009","68.803","0.005","87.124","0.006","73.605","0.006","771.38","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H38 N2 -","- C42 H38 N2 -","- C42 H38 N2 -","1","0.5","","Miriam Mas-Montoya; Rocio Ponce Ortiz; David Curiel; Arturo Espinosa; Magali Allain; Antonio Facchetti; Tobin J. Marks","Isomeric carbazolocarbazoles: synthesis, characterization and comparative study in Organic Field Effect Transistors","Journal of Materials Chemistry C","2013","1","","1959","1969","10.1039/C2TC00363E","","x-ray","0.71073","MoKα","","","0.0553","","","","0.1446","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233181","13.8049","0.0017","12.2389","0.0016","25.979","0.004","90","","102.745","0.003","90","","4281.2","1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H24 F8 -","- C49 H23 F8 -","- C196 H92 F32 -","4","1","","Zhanfeng Li; Bo Jiao; Zhaoxin Wu; Peng Liu; Lin Ma; Xiaoli Lei; Dongdong Wang; Guijiang Zhou; Huaiming Hu; Xun Hou","Fluorinated 9,9'-spirobifluorene derivatives as host materials for highly efficient blue organic light-emitting devices","Journal of Materials Chemistry C","2013","1","","2183","2192","10.1039/C3TC00466J","","","0.71073","MoKα","","0.2033","0.1003","","","0.2584","0.3356","","","","","","1.017","","","","has coordinates","217113","2020-10-21","18:00:00",""
"7233182","5.0554","0.0004","10.5514","0.0008","13.4788","0.001","100.067","0.002","94.337","0.002","92.778","0.002","704.49","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 O8 S2 -","- C32 H30 O8 S2 -","- C32 H30 O8 S2 -","1","0.5","","Chandrani Pramanik; Yushu Li; Anup Singh; Weimin Lin; Jennifer L. Hodgson; Jonathan B. Briggs; Simka Ellis; Peter Muller; Nicol E. McGruer; Glen P. Miller","Water soluble pentacene","Journal of Materials Chemistry C","2013","1","","2193","2201","10.1039/C3TC00278K","","","0.71073","MoKα","","0.0655","0.0489","","","0.141","0.1669","","","","","","0.748","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233183","9.2953","0.0019","26.199","0.005","9.9218","0.0017","90","","98.104","0.007","90","","2392.1","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O4 S2 -","- C28 H24 O4 S2 -","- C112 H96 O16 S8 -","4","1","","Chandrani Pramanik; Yushu Li; Anup Singh; Weimin Lin; Jennifer L. Hodgson; Jonathan B. Briggs; Simka Ellis; Peter Muller; Nicol E. McGruer; Glen P. Miller","Water soluble pentacene","Journal of Materials Chemistry C","2013","1","","2193","2201","10.1039/C3TC00278K","","","0.71073","MoKα","","0.0893","0.0456","","","0.0882","0.1036","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233184","26.3406","0.0014","9.3058","0.0005","19.5502","0.0009","90","","105.696","0.003","90","","4613.5","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 N2 O S2 -","- C30 H18 N2 O S2 -","- C240 H144 N16 O8 S16 -","8","1","","Brodie L. Reid; Steven B. Briggs; Louise E. Karagiannidis; Sara Muzzioli; Paolo Raiteri; Mark E. Light; Stefano Stagni; Pierpaolo Brulatti; Philip A. Gale; Mark I. Ogdena; Massimiliano Massi","Blue emitting C2-symmetrical dibenzothiazolyl substituted pyrrole, furan and thiophene","Journal of Materials Chemistry C","2013","1","","2209","2216","10.1039/C3TC00760J","","","0.71073","MoKα","","0.196","0.1334","","","0.2508","0.2863","","","","","","1.074","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233185","6.985","0.0001","20.4992","0.0005","10.7665","0.0003","90","","99.844","0.002","90","","1518.92","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 N2 S3 -","- C18 H10 N2 S3 -","- C72 H40 N8 S12 -","4","1","","Brodie L. Reid; Steven B. Briggs; Louise E. Karagiannidis; Sara Muzzioli; Paolo Raiteri; Mark E. Light; Stefano Stagni; Pierpaolo Brulatti; Philip A. Gale; Mark I. Ogdena; Massimiliano Massi","Blue emitting C2-symmetrical dibenzothiazolyl substituted pyrrole, furan and thiophene","Journal of Materials Chemistry C","2013","1","","2209","2216","10.1039/C3TC00760J","","","0.71073","MoKα","","0.0836","0.0601","","","0.1108","0.1224","","","","","","1.125","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233186","10.557","0.005","33.014","0.01","10.957","0.003","90","","118.22","0.02","90","","3365","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 F12 Ir N4 P -","- C36 H22 F12 Ir N4 P -","- C144 H88 F48 Ir4 N16 P4 -","4","1","","Nail M. Shavaleev; Rosario Scopelliti; Michael Gratzel; Mohammad K. Nazeeruddin; Antonio Pertegas; Cristina Roldan-Carmona; Daniel Tordera; Henk J. Bolink","Pulsed-current versus constant-voltage light-emitting electrochemical cells with trifluoromethyl-substituted cationic iridium(III) complexes","Journal of Materials Chemistry C","2013","1","","2241","2248","10.1039/C3TC00808H","","","0.71073","MoKα","","0.0323","0.0277","","","0.0671","0.0703","","","","","","1.104","","","","has coordinates,has disorder","217118","2020-10-21","18:00:00",""
"7233187","19.198","0.003","68.958","0.01","11.0075","0.0012","90","","90","","90","","14572","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H26 F12 Ir N4 P -","- C38 H26 F12 Ir N4 P -","- C608 H416 F192 Ir16 N64 P16 -","16","1","","Nail M. Shavaleev; Rosario Scopelliti; Michael Gratzel; Mohammad K. Nazeeruddin; Antonio Pertegas; Cristina Roldan-Carmona; Daniel Tordera; Henk J. Bolink","Pulsed-current versus constant-voltage light-emitting electrochemical cells with trifluoromethyl-substituted cationic iridium(III) complexes","Journal of Materials Chemistry C","2013","1","","2241","2248","10.1039/C3TC00808H","","","0.71073","MoKα","","0.0181","0.0168","","","0.0359","0.0364","","","","","","1.124","","","","has coordinates","217119","2020-10-21","18:00:00",""
"7233188","13.44","0.003","13.5222","0.0013","26.448","0.006","90","","91.526","0.016","90","","4804.9","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 F12 Ir N4 P -","- C42 H38 F12 Ir N4 P -","- C168 H152 F48 Ir4 N16 P4 -","4","1","","Nail M. Shavaleev; Rosario Scopelliti; Michael Gratzel; Mohammad K. Nazeeruddin; Antonio Pertegas; Cristina Roldan-Carmona; Daniel Tordera; Henk J. Bolink","Pulsed-current versus constant-voltage light-emitting electrochemical cells with trifluoromethyl-substituted cationic iridium(III) complexes","Journal of Materials Chemistry C","2013","1","","2241","2248","10.1039/C3TC00808H","","","0.71073","MoKα","","0.0829","0.0629","","","0.1552","0.1679","","","","","","1.08","","","","has coordinates","217120","2020-10-21","18:00:00",""
"7233190","10.532","0.003","11.391","0.004","11.792","0.004","89.01","0.03","68.18","0.02","83.4","0.02","1304.1","0.8","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N O P -","- C32 H34 N O P -","- C64 H68 N2 O2 P2 -","2","1","","Atsushi Wada; Takuma Yasuda; Qisheng Zhang; Yu Seok Yang; Isao Takasu; Shintaro Enomoto; Chihaya Adachi","A host material consisting of a phosphinic amide directly linked donor-acceptor structure for efficient blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2013","1","","2404","2407","10.1039/C3TC00939D","","","1.54187","CuKα","","","0.0568","","","","0.1317","","","","","","0.949","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233191","9.984","0.006","8.89","0.005","10.791","0.007","90","","99.593","0.009","90","","944.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","0.5","","Zhihua Sun; Xinqiang Wang; Junhua Luo; Shuquan Zhang; Daqiang Yuan; Maochun Hong","Ferroelastic phase transition and switchable dielectric behavior associated with ordering of molecular motion in a perovskite-like architectured supramolecular cocrystal","Journal of Materials Chemistry C","2013","1","","2561","2567","10.1039/C3TC30166D","","","0.71073","MoKα","","0.0569","0.0461","","","0.1303","0.139","","","","","","1.068","","","","has coordinates","217141","2020-10-21","18:00:00",""
"7233192","9.805","0.005","13.762","0.006","13.774","0.007","80.039","0.013","83.93","0.009","84.024","0.011","1813.3","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C72 H88 N16 O24 -","4","2","","Zhihua Sun; Xinqiang Wang; Junhua Luo; Shuquan Zhang; Daqiang Yuan; Maochun Hong","Ferroelastic phase transition and switchable dielectric behavior associated with ordering of molecular motion in a perovskite-like architectured supramolecular cocrystal","Journal of Materials Chemistry C","2013","1","","2561","2567","10.1039/C3TC30166D","","","0.71073","MoKα","","0.1829","0.1768","","","0.4157","0.4191","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233193","9.785","0.002","13.7474","0.0018","13.7474","0.0018","80.157","0.014","84.13","0.02","84.13","0.02","1805.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C72 H88 N16 O24 -","4","2","","Zhihua Sun; Xinqiang Wang; Junhua Luo; Shuquan Zhang; Daqiang Yuan; Maochun Hong","Ferroelastic phase transition and switchable dielectric behavior associated with ordering of molecular motion in a perovskite-like architectured supramolecular cocrystal","Journal of Materials Chemistry C","2013","1","","2561","2567","10.1039/C3TC30166D","","","0.71073","MoKα","","0.1193","0.105","","","0.2386","0.2449","","","","","","1.184","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233194","9.951","0.002","12.281","0.003","15.068","0.003","64.411","0.007","75.445","0.012","76.456","0.011","1590.8","0.6","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H88 Cl2 N4 O12 Pd -","- C66 H88 Cl2 N4 O12 Pd -","- C66 H88 Cl2 N4 O12 Pd -","1","0.5","","Tomohiro Hirade; Yumi Okui; Mina Han","A design strategy for stable light-sensitive palladium complexes","Journal of Materials Chemistry C","2013","1","","2672","2679","10.1039/C3TC00779K","","","0.7107","MoKα","","","0.0269","","","","0.0776","","","","","","1.018","","","","has coordinates","217144","2020-10-21","18:00:00",""
"7233195","7.682","0.005","27.931","0.019","12.387","0.009","90","","97.151","0.008","90","","2637","3","163.1","","163","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Tomohiro Hirade; Yumi Okui; Mina Han","A design strategy for stable light-sensitive palladium complexes","Journal of Materials Chemistry C","2013","1","","2672","2679","10.1039/C3TC00779K","","","0.7107","MoKα","","","0.1166","","","","0.3781","","","","","","1.354","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233196","8.0239","0.0013","8.2206","0.001","19.4355","0.0017","78.047","0.016","85.5","0.02","86.15","0.02","1248.6","0.3","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H36 N2 O2 -","- C29 H36 N2 O2 -","- C58 H72 N4 O4 -","2","1","","Tomohiro Hirade; Yumi Okui; Mina Han","A design strategy for stable light-sensitive palladium complexes","Journal of Materials Chemistry C","2013","1","","2672","2679","10.1039/C3TC00779K","","","0.7107","MoKα","","","0.068","","","","0.1833","","","","","","0.86","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233197","16.463","0.0005","14.2801","0.0004","21.6052","0.0007","90","","99.901","0.002","90","","5003.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(bathophenanthroline)erbium(III)","","- C48 H46 Er F9 N2 O6 -","- C48 H46 Er F9 N2 O6 -","- C192 H184 Er4 F36 N8 O24 -","4","1","","Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil","Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices","Journal of Materials Chemistry C","2013","1","","2725","2734","10.1039/C3TC00649B","","","0.71073","MoKα","","0.1331","0.0519","","","0.0969","0.1248","","","","","","0.943","","","","has coordinates","217147","2020-10-21","18:00:00",""
"7233198","14.2828","0.0004","16.986","0.0005","18.2384","0.0005","90","","109.558","0.0011","90","","4169.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(5-nitro-1,10-phenanthroline)erbium(III)","","- C36 H36 Er F9 N3 O8 -","- C36 H36 Er F9 N3 O8 -","- C144 H144 Er4 F36 N12 O32 -","4","1","","Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil","Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices","Journal of Materials Chemistry C","2013","1","","2725","2734","10.1039/C3TC00649B","","","0.71073","MoKα","","0.0865","0.0436","","","0.0959","0.1122","","","","","","1.009","","","","has coordinates,has disorder","217148","2020-10-21","18:00:00",""
"7233199","9.6862","0.0005","12.0313","0.0006","18.1634","0.001","100.086","0.003","103.81","0.003","101.682","0.003","1956.59","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(bipyridine)erbium(III)","","- C34 H38 Er F9 N2 O6 -","- C34 H38 Er F9 N2 O6 -","- C68 H76 Er2 F18 N4 O12 -","2","1","","Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil","Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices","Journal of Materials Chemistry C","2013","1","","2725","2734","10.1039/C3TC00649B","","","0.71073","MoKα","","0.064","0.0442","","","0.1061","0.1203","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233200","6.7671","0.0003","10.0846","0.0005","12.0321","0.0006","98.99","0.002","106.294","0.002","104.765","0.003","738.8","0.06","100","","100","","","","","","","","Synthesized by the authors. See text","2","P -1","-P 1","2","","","","- C40 H42 -","- C40 H42 -","- C40 H42 -","1","0.5","","Afshin Dadvand; Wei-Hsin Sun; Andrey G. Moiseev; Francine Belanger-Gariepy; Federico Rosei; Hong Meng; Dmitrii F. Perepichka","1,5-, 2,6- and 9,10-distyrylanthracenes as luminescent organic semiconductors","Journal of Materials Chemistry C","2013","1","","2817","2825","10.1039/C3TC30247D","","","1.54178","CuKα","","0.0749","0.0649","","","0.1836","0.1918","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233201","6.5844","0.0003","9.2194","0.0003","13.5405","0.0005","100.098","0.0016","99.8398","0.0018","105.709","0.0016","758.05","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","2","P -1","-P 1","2","","","","- C40 H42 -","- C40 H42 -","- C40 H42 -","1","0.5","","Afshin Dadvand; Wei-Hsin Sun; Andrey G. Moiseev; Francine Belanger-Gariepy; Federico Rosei; Hong Meng; Dmitrii F. Perepichka","1,5-, 2,6- and 9,10-distyrylanthracenes as luminescent organic semiconductors","Journal of Materials Chemistry C","2013","1","","2817","2825","10.1039/C3TC30247D","","","1.54178","CuKα","","0.0568","0.0532","","","0.1582","0.1636","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233202","10.6775","0.0007","5.5932","0.0004","26.003","0.0017","90","","91.474","0.001","90","","1552.42","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O2 -","- C16 H18 N6 O2 -","- C64 H72 N24 O8 -","4","1","","Yixing Yang; Pamela Cohn; Sang-Hyun Eom; Khalil A. Abboud; Ronald K. Castellano; Jiangeng Xue","Ultraviolet-violet electroluminescence from highly fluorescent purines","Journal of Materials Chemistry C","2013","1","","2867","2874","10.1039/C3TC00734K","","","0.71073","MoKα","","0.0541","0.0394","","","0.0954","0.1004","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233203","30.895","0.007","6.2288","0.0017","7.8286","0.0016","90","","94.063","0.018","90","","1502.7","0.6","298.1","","298.1","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 S6 -","- C14 H8 S6 -","- C56 H32 S24 -","4","1","","Tomoyuki Kakinuma; Hirotaka Kojima; Tadashi Kawamoto; Takehiko Mori","Giant phototransistor response in dithienyltetrathiafulvalene derivatives","Journal of Materials Chemistry C","2013","1","","2900","2905","10.1039/C3TC30089G","","","0.71069","MoKα","","","0.0559","","","","0.1509","","","","","","1.054","","","","has coordinates","217154","2020-10-21","18:00:00",""
"7233204","17.71","0.006","6.1607","0.0012","10.744","0.004","90","","100.39","0.03","90","","1153","0.6","293.1","","293.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 S6 -","- C22 H24 S6 -","- C44 H48 S12 -","2","0.5","","Tomoyuki Kakinuma; Hirotaka Kojima; Tadashi Kawamoto; Takehiko Mori","Giant phototransistor response in dithienyltetrathiafulvalene derivatives","Journal of Materials Chemistry C","2013","1","","2900","2905","10.1039/C3TC30089G","","","0.71069","MoKα","","","0.0807","","","","0.1768","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233205","5.286","0.0007","5.286","0.0007","9.066","0.0018","90","","90","","90","","253.32","0.07","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Cd Mo O6 Te -","- Cd Mo O6 Te -","- Cd2 Mo2 O12 Te2 -","2","0.25","","Sangen Zhao; Xingxing Jiang; Ran He; Shu-quan Zhang; Zhihua Sun; Junhua Luo; Zheshuai Lin; Maochun Honga","A combination of multiple chromophores enhances second-harmonic generation in a nonpolar noncentrosymmetric oxide: CdTeMoO6","Journal of Materials Chemistry C","2013","1","","2906","2912","10.1039/C3TC30151F","","","0.71073","MoKα","","0.0156","0.0147","","","0.0348","0.0354","","","","","","1.034","","","","has coordinates","288221","2023-12-11","22:20:44",""
"7233206","9.7802","0.0012","11.724","0.0015","15.3546","0.0019","92.77","0.002","93.282","0.002","114.31","0.002","1596.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Ir(ppy)2(iPr2gua)","","","- C35 H44 Ir N5 -","- C35 H44 Ir N5 -","- C70 H88 Ir2 N10 -","2","1","","Tai Peng; Guomeng Li; Kaiqi Ye; Chenguang Wang; Shanshan Zhao; Yu Liu; Zhaomin Hou; Yue Wang","Highly efficient phosphorescent OLEDs with host-independent and concentration-insensitive properties based on a bipolar iridium complex","Journal of Materials Chemistry C","2013","1","","2920","2926","10.1039/C3TC00500C","","","0.71073","MoKα","","0.033","0.0302","","","0.0739","0.0748","","","","","","1.017","","","","has coordinates","217157","2020-10-21","18:00:00",""
"7233214","9.7487","0.0011","13.1235","0.0018","15.369","0.002","107.494","0.013","98.048","0.011","110.541","0.012","1688.5","0.5","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","N-(4-(3,5-dimethylpyrazol-4-yl)phenyl)benzamide_methanol_solvate","","- C19 H21 N3 O2 -","- C19 H20 N3 O2 -","- C76 H80 N12 O8 -","4","2","","Sandra Moyano; Joaquin Barbera; Beatriz E. Diosdado; Jose Luis Serrano; Anabel Elduque; Raquel Gimenez","Self-assembly of 4-aryl-1H-pyrazoles as a novel platform for luminescent supramolecular columnar liquid crystals","Journal of Materials Chemistry C","2013","1","","3119","3128","10.1039/C3TC30174E","","","0.71073","MoKα","","0.1605","0.0738","","","0.143","0.1831","","","","","","0.995","","","","has coordinates","217166","2020-10-21","18:00:00",""
"7233215","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; Xue-Rui Zhang","Stacking-induced broadband near-infrared absorption beyond 2500 nm and deep-red phosphorescence from purely organic radicals","Journal of Materials Chemistry C","2013","1","","3395","3398","10.1039/C3TC30438H","","","1.54184","CuKα","","0.0992","0.0841","","","0.2162","0.2295","","","","","","1.052","","","","has coordinates","217167","2020-10-21","18:00:00",""
"7233216","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; Xue-Rui Zhang","Stacking-induced broadband near-infrared absorption beyond 2500 nm and deep-red phosphorescence from purely organic radicals","Journal of Materials Chemistry C","2013","1","","3395","3398","10.1039/C3TC30438H","","","1.54184","CuKα","","0.042","0.0362","","","0.0955","0.1011","","","","","","1.048","","","","has coordinates","217168","2020-10-21","18:00:00",""
"7233217","17.064","0.019","3.894","0.004","25.72","0.03","90","","108.82","0.015","90","","1618","3","173.1","","173.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H8 N2 S4 -","- C20 H8 N2 S4 -","- C80 H32 N8 S16 -","4","1","","Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives","Journal of Materials Chemistry C","2013","1","","3467","3481","10.1039/C3TC30346B","","","0.7107","MoKα","","","0.113","","","","0.2638","","","","","","1.257","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233218","12.5806","0.0012","4.8247","0.0005","13.7178","0.0013","90","","96.563","0.002","90","","827.18","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H8 N2 S4 -","- C20 H8 N2 S4 -","- C40 H16 N4 S8 -","2","1","","Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives","Journal of Materials Chemistry C","2013","1","","3467","3481","10.1039/C3TC30346B","","","0.71073","MoKα","","0.0533","0.0502","","","0.134","0.137","","","","","","1.175","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233219","11.247","0.005","5.014","0.002","14.169","0.006","90","","91.668","0.007","90","","798.7","0.6","173.1","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 N2 S4 -","- C20 H8 N2 S4 -","- C40 H16 N4 S8 -","2","0.5","","Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives","Journal of Materials Chemistry C","2013","1","","3467","3481","10.1039/C3TC30346B","","","0.7107","MoKα","","","0.0456","","","","0.1027","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233220","4.8942","0.0014","12.751","0.003","17.057","0.005","76.147","0.011","84.81","0.013","72.178","0.01","983.7","0.5","123.1","","123.1","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 N2 S4 -","- C44 H55.88 N2 S4 -","- C44 H55.88 N2 S4 -","1","0.5","","Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives","Journal of Materials Chemistry C","2013","1","","3467","3481","10.1039/C3TC30346B","","","0.7107","MoKα","","","0.0627","","","","0.0718","","","","","","1.427","","","","has coordinates","217172","2020-10-21","18:00:00",""
"7233221","11.0893","0.0019","15.523","0.002","15.895","0.003","90","","105.15","0.017","90","","2641.1","0.8","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N2 O1.5 -","- C31 H35 N2 O1.5 -","- C124 H140 N8 O6 -","4","1","","Ross D. Jansen-van Vuuren; Almantas Pivrikas; Ajay K. Pandey; Paul L. Burn","Colour selective organic photodetectors utilizing ketocyanine-cored dendrimers","Journal of Materials Chemistry C","2013","1","","3532","3543","10.1039/C3TC30472H","","x-ray","1.5418","CuKα","","0.0846","0.0392","","","0.0886","0.0972","","","","","","0.763","","","","has coordinates","217173","2020-10-21","18:00:00",""
"7233222","10.669","0.002","4.4434","0.0009","4.2996","0.0009","90","","90","","90","","203.83","0.07","153.15","","153.15","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- B3 Be La O7 -","- B3 Be La O7 -","- B6 Be2 La2 O14 -","2","0.5","","Xue Yan; Siyang Luo; Zheshuai Lin; Yinchao Yue; Xiaoyang Wang; Lijuan Liuab; Chuangtian Chenab","LaBeB3O7: a new phase-matchable nonlinear optical crystal exclusively containing the tetrahedral XO4 (X = B and Be) anionic groups","Journal of Materials Chemistry C","2013","1","","3616","3622","10.1039/C3TC30294F","","","0.71073","MoKα","","0.0292","0.0289","","","0.0645","0.0646","","","","","","1.096","","","","has coordinates","217174","2020-10-21","18:00:00",""
"7233434","15.03","0.004","15.677","0.004","19.167","0.004","91.365","0.003","93.191","0.003","106.915","0.003","4310.4","1.8","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C148 H112 Ag2 Cl2 Eu2 F36 N6 O22 P6 Pt -","- C140 H92 Ag2 Cl2 Eu2 F36 N6 O20 P6 Pt -","- C140 H92 Ag2 Cl2 Eu2 F36 N6 O20 P6 Pt -","1","0.5","","Jia Li; Jin-Yun Wang; Zhong-Ning Chen","Sensitized EuIII luminescence through energy transfer from PtM2 (M = Ag or Au) alkynyl chromophores in PtM2Eu2 heteropentanuclear complexes","Journal of Materials Chemistry C","2013","1","","3661","3668","10.1039/C3TC30474D","","","0.71073","MoKα","","0.0716","0.0592","","","0.1587","0.1701","","","","","","1.064","","","","has coordinates,has disorder","217704","2020-10-21","18:00:00",""
"7233435","12.3652","0.0001","16.9603","0.0002","26.9859","0.0002","106.747","0.007","95.282","0.012","101.088","0.008","5252.3","0.4","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C156 H132 Au2 Cl2 Eu2 F36 N6 O24 P6 Pt -","- C140 H92 Au2 Cl2 Eu2 F36 N6 O20 P6 Pt -","- C140 H92 Au2 Cl2 Eu2 F36 N6 O20 P6 Pt -","1","0.5","","Jia Li; Jin-Yun Wang; Zhong-Ning Chen","Sensitized EuIII luminescence through energy transfer from PtM2 (M = Ag or Au) alkynyl chromophores in PtM2Eu2 heteropentanuclear complexes","Journal of Materials Chemistry C","2013","1","","3661","3668","10.1039/C3TC30474D","","","0.71073","MoKα","","0.0708","0.057","","","0.1409","0.1509","","","","","","1.006","","","","has coordinates,has disorder","217705","2020-10-21","18:00:00",""
"7233436","31.227","0.007","9.785","0.002","21.174","0.005","90","","109.053","0.002","90","","6115","2","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 N2 -","- C46 H30 N2 -","- C368 H240 N16 -","8","2","","Jian-Yong Hu; Yong-Jin Pu; Yusuke Yamashita; Fumiya Satoh; So Kawata; Hiroshi Katagiri; Hisahiro Sasabe; Junji Kido","Excimer-emitting single molecules with stacked p-conjugated groups covalently linked at the 1,8-positions of naphthalene for highly efficient blue and green OLEDs","Journal of Materials Chemistry C","2013","1","","3871","3878","10.1039/C3TC30319E","","","0.71075","MoKα","","0.049","0.0436","","","0.1069","0.112","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233437","5.72937","0.00017","7.48221","0.00019","25.6222","0.0007","90","","97.8031","0.0018","90","","1088.21","0.05","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 O2 -","- C32 H22 O2 -","- C64 H44 O4 -","2","0.5","","Kazuaki Oniwa; Thangavel Kanagasekaran; Tienan Jin; Md. Akhtaruzzaman; Yoshinori Yamamoto; Hiroyuki Tamura; Ikutaro Hamada; Hidekazu Shimotani; Naoki Asao; Susumu Ikeda; Katsumi Tanigaki","Single crystal biphenyl end-capped furan-incorporated oligomers: influence of unusual packing structure on carrier mobility and luminescence","Journal of Materials Chemistry C","2013","1","","4163","4170","10.1039/C3TC30220B","","","1.54187","CuKα","","","0.0402","","","","0.1081","","","","","","1.088","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233438","5.7894","0.0002","7.6083","0.0004","49.676","0.003","87.332","0.004","89.233","0.003","89.946","0.004","2185.54","0.19","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 O S -","- C32 H22 O S -","- C128 H88 O4 S4 -","4","2","","Kazuaki Oniwa; Thangavel Kanagasekaran; Tienan Jin; Md. Akhtaruzzaman; Yoshinori Yamamoto; Hiroyuki Tamura; Ikutaro Hamada; Hidekazu Shimotani; Naoki Asao; Susumu Ikeda; Katsumi Tanigaki","Single crystal biphenyl end-capped furan-incorporated oligomers: influence of unusual packing structure on carrier mobility and luminescence","Journal of Materials Chemistry C","2013","1","","4163","4170","10.1039/C3TC30220B","","","1.54186","CuKα","","","0.101","","","","0.2954","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233439","15.5322","0.0005","15.6498","0.0005","17.2181","0.0009","88.714","0.006","85.179","0.006","81.898","0.005","4128.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","0.71073","MoKα","","0.0483","0.0403","","","0.1179","0.1256","","","","","","0.997","","","","has coordinates","217709","2020-10-21","18:00:00",""
"7233440","15.3088","0.0005","15.5278","0.0007","16.9897","0.0008","89.042","0.005","85.531","0.006","81.924","0.004","3986.4","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H83 Cu4 I4 N5 P4 -","- C82 H83 Cu4 I4 N5 P4 -","- C164 H166 Cu8 I8 N10 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","0.71073","MoKα","","0.0508","0.0491","","","0.1673","0.169","","","","","","1.073","","","","has coordinates","217710","2020-10-21","18:00:00",""
"7233441","15.3491","0.0004","15.4845","0.0004","16.9896","0.0004","88.448","0.002","85.496","0.002","81.231","0.002","3977.98","0.18","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","1.54184","CuKα","","0.0289","0.0229","","","0.0549","0.0582","","","","","","0.987","","","","has coordinates","217711","2020-10-21","18:00:00",""
"7233442","15.3594","0.0004","15.4883","0.0004","16.9959","0.0005","88.447","0.002","85.484","0.002","81.238","0.002","3983.11","0.19","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","1.54184","CuKα","","0.0321","0.0257","","","0.0659","0.076","","","","","","1.072","","","","has coordinates","217712","2020-10-21","18:00:00",""
"7233443","15.3915","0.0003","15.5053","0.0004","17.0242","0.0004","88.46","0.002","85.486","0.002","81.26","0.002","4002.73","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","1.54184","CuKα","","0.0307","0.0238","","","0.0571","0.061","","","","","","0.984","","","","has coordinates","217713","2020-10-21","18:00:00",""
"7233444","15.4242","0.0003","15.5207","0.0004","17.0532","0.0004","88.46","0.002","85.455","0.002","81.274","0.002","4022.04","0.16","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","1.54184","CuKα","","0.0339","0.0258","","","0.0601","0.069","","","","","","1.03","","","","has coordinates","217714","2020-10-21","18:00:00",""
"7233445","15.4577","0.0003","15.5354","0.0004","17.0827","0.0004","88.465","0.002","85.427","0.002","81.285","0.002","4041.54","0.16","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","1.54184","CuKα","","0.0375","0.0273","","","0.0611","0.0668","","","","","","0.989","","","","has coordinates","217715","2020-10-21","18:00:00",""
"7233446","13.722","0.003","25.304","0.006","27.966","0.007","90","","98.81","0.006","90","","9596","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C320 H320 Cu16 I16 N16 P16 -","4","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","0.71073","MoKα","","0.0955","0.0653","","","0.1838","0.2097","","","","","","1.014","","","","has coordinates","217716","2020-10-21","18:00:00",""
"7233447","13.663","0.002","25.134","0.004","28.011","0.005","90","","98.145","0.003","90","","9522","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C320 H320 Cu16 I16 N16 P16 -","4","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","0.71073","MoKα","","0.0645","0.0494","","","0.1523","0.1686","","","","","","0.992","","","","has coordinates","217717","2020-10-21","18:00:00",""
"7233448","5.416","0.0004","16.0287","0.0012","18.689","0.0018","115.342","0.002","91.826","0.004","94.608","0.003","1457.6","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C36 H42 O2 -","- C36 H42 O2 -","- C72 H84 O4 -","2","2","","Ori Gidron; Afshin Dadvand; Emily Wei-Hsin Sun; Insik Chung; Linda J. W. Shimon; Michael Bendikov; Dmitrii F. Perepichka","Oligofuran-containing molecules for organic electronics","Journal of Materials Chemistry C","2013","1","","4358","4367","10.1039/C3TC00079F","","","0.71073","MoKα","","0.0726","0.0442","","","0.0824","0.0929","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233449","10.9321","0.0011","17.289","0.0014","21.859","0.002","74.282","0.005","80.472","0.005","82.288","0.006","3904.7","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Cu P3 S -","- C48 H38 Cu P3 S -","- C192 H152 Cu4 P12 S4 -","4","2","","Masahisa Osawa; Isao Kawata; Ryuji Ishii; Satoshi Igawa; Masashi Hashimoto; Mikio Hoshino","Application of neutral d10 coinage metal complexes with an anionic bidentate ligand in delayed fluorescence-type organic light-emitting diodes","Journal of Materials Chemistry C","2013","1","","4375","4383","10.1039/C3TC30524D","","","0.71073","MoKα","","0.1108","0.0723","","","0.1604","0.1838","","","","","","1.098","","","","has coordinates","217719","2020-10-21","18:00:00",""
"7233450","10.8301","0.0006","12.0774","0.0006","15.888","0.0009","72.281","0.002","88.762","0.002","81.29","0.002","1956.06","0.18","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Ag P3 S -","- C48 H38 Ag P3 S -","- C96 H76 Ag2 P6 S2 -","2","1","","Masahisa Osawa; Isao Kawata; Ryuji Ishii; Satoshi Igawa; Masashi Hashimoto; Mikio Hoshino","Application of neutral d10 coinage metal complexes with an anionic bidentate ligand in delayed fluorescence-type organic light-emitting diodes","Journal of Materials Chemistry C","2013","1","","4375","4383","10.1039/C3TC30524D","","","0.71073","MoKα","","0.073","0.0433","","","0.1031","0.1305","","","","","","1.05","","","","has coordinates","217720","2020-10-21","18:00:00",""
"7233451","10.8554","0.0018","12.0178","0.0018","15.617","0.002","73.052","0.006","88.148","0.009","80.401","0.007","1921.3","0.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Au P3 S -","- C48 H38 Au P3 S -","- C96 H76 Au2 P6 S2 -","2","1","","Masahisa Osawa; Isao Kawata; Ryuji Ishii; Satoshi Igawa; Masashi Hashimoto; Mikio Hoshino","Application of neutral d10 coinage metal complexes with an anionic bidentate ligand in delayed fluorescence-type organic light-emitting diodes","Journal of Materials Chemistry C","2013","1","","4375","4383","10.1039/C3TC30524D","","","0.71073","MoKα","","0.0619","0.0491","","","0.0832","0.0908","","","","","","1.076","","","","has coordinates","217721","2020-10-21","18:00:00",""
"7233452","9.4123","0.0007","12.9289","0.001","14.5929","0.0011","90","","99.292","0.001","90","","1752.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7-pyrrolidino-7-benzylamino-8,8-dicyanoquinodimethane","7-pyrrolidino-7-benzylamino-8,8-dicyanoquinodimethane","","- C21 H20 N4 -","- C21 H20 N4 -","- C84 H80 N16 -","4","1","","Ch. G. Chandaluri; T. P. Radhakrishnan","Hierarchical assembly of a molecular material through the amorphous phase and the evolution of its fluorescence emission","Journal of Materials Chemistry C","2013","1","","4464","4471","10.1039/C3TC30615A","","","0.71073","MoKα","","0.0443","0.0416","","","0.1067","0.109","","","","","","1.06","","","","has coordinates,has disorder","217722","2020-10-21","18:00:00",""
"7233453","20.669","0.008","6.745","0.002","24.891","0.011","90","","102.363","0.014","90","","3390","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N4 O3 -","- C42 H36 N4 O3 -","- C168 H144 N16 O12 -","4","1","","Yuping Zhang; Chunshuang Liang; Hongxing Shang; Yao Ma; Shimei Jiang","Supramolecular organogels and nanowires based on a V-shaped cyanostilbene amide derivative with aggregation-induced emission (AIE) properties","Journal of Materials Chemistry C","2013","1","","4472","4480","10.1039/C3TC30545G","","","0.71073","MoKα","","0.1542","0.0845","","","0.1816","0.2131","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233477","7.599","0.005","7.984","0.005","27.611","0.015","91.65","0.04","95.04","0.04","108.88","0.05","1576","1.7","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H25 Cl3 N4 O3 -","- C39 H25 Cl3 N4 O3 -","- C78 H50 Cl6 N8 O6 -","2","1","","Jiyoung Lee; Katsuyuki Shizu; Hiroyuki Tanaka; Hiroko Nomura; Takuma Yasuda; Chihaya Adachi","Oxadiazole- and triazole-based highly-efficient thermally activated delayed fluorescence emitters for organic light-emitting diodes","Journal of Materials Chemistry C","2013","1","","4599","4604","10.1039/C3TC30699B","","","1.54187","CuKα","","","0.1353","","","","0.3902","","","","","","0.922","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233478","13.094","0.003","14.061","0.003","23.454","0.005","94.235","0.001","97.134","0.003","113.48","0.003","3893.8","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Eu5Zn2C140H135O47N40","","","- C140 H135 Eu5 N40 O47 Zn2 -","- C140 H135 Eu5 N40 O47 Zn2 -","- C140 H135 Eu5 N40 O47 Zn2 -","1","0.5","","Zhi-Fa Liu; Mei-Feng Wu; Shuai-Hua Wang; Fa-Kun Zheng; Guan-E. Wang; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Eu3±doped Tb3+ metal-organic frameworks emitting tunable three primary colors towards white light","Journal of Materials Chemistry C","2013","1","","4634","4639","10.1039/C3TC30733F","","","0.71073","MoKα","","0.0526","0.0436","","","0.1194","0.1283","","","","","","1.038","","","","has coordinates,has disorder","217738","2020-10-21","18:00:00",""
"7233479","12.973","0.003","14.046","0.005","23.376","0.006","94.335","0.012","96.686","0.009","113.976","0.005","3829.9","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","C140H135N40O47Tb5Zn2","","","- C140 H135 N40 O47 Tb5 Zn2 -","- C140 H135 N40 O47 Tb5 Zn2 -","- C140 H135 N40 O47 Tb5 Zn2 -","1","0.5","","Zhi-Fa Liu; Mei-Feng Wu; Shuai-Hua Wang; Fa-Kun Zheng; Guan-E. Wang; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Eu3±doped Tb3+ metal-organic frameworks emitting tunable three primary colors towards white light","Journal of Materials Chemistry C","2013","1","","4634","4639","10.1039/C3TC30733F","","","0.71073","MoKα","","0.09","0.0756","","","0.1786","0.1905","","","","","","0.995","","","","has coordinates,has disorder","217739","2020-10-21","18:00:00",""
"7233480","5.228","0.003","9.351","0.005","4.734","0.003","90","","90","","90","","231.4","0.2","296","2","296","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- B Ba Cl F4 -","- B Ba Cl F4 -","- B2 Ba2 Cl2 F8 -","2","0.5","","Min Zhang; Shilie Pan; Zhihua Yang; Ying Wang; Xin Su; Yun Yang; Zhenjun Huang; Shujuan Han; Kenneth R. Poeppelmeier","BaClBF4: a new noncentrosymmetric pseudo-Aurivillius type material with transparency range from deep UV to middle IR and a high laser damage threshold","Journal of Materials Chemistry C","2013","1","","4740","4745","10.1039/C3TC30581C","","","0.71073","MoKα","","0.0184","0.0178","","","0.0423","0.0436","","","","","","1.213","","","","has coordinates","217740","2020-10-21","18:00:00",""
"7233481","23.504","0.003","23.504","0.003","9.1114","0.0013","90","","90","","90","","5033.5","1.2","296","2","296","2","","","","","","","","4","P -4","P -4","81","","","","- C33 H24 Ir N3 -","- C33 H24 Ir N3 -","- C264 H192 Ir8 N24 -","8","2","","Ping Wang; Fei-Fei Wang; Yi Chen; Qiang Niu; Lei Lu; Hong-Ming Wang; Xi-Cun Gao; Bin Wei; Hong-Wei Wu; Xin Cai; De-Chun Zou","Synthesis of all-deuterated tris(2-phenylpyridine)iridium for highly stable electrophosphorescence: the ""deuterium effect""","Journal of Materials Chemistry C","2013","1","","4821","4825","10.1039/C3TC30547C","","","0.71073","MoKα","","0.0251","0.0226","","","0.0522","0.0531","","","","","","1.136","","","","has coordinates","217741","2020-10-21","18:00:00",""
"7233482","15.196","0.008","7.934","0.004","29.846","0.016","90","","90","","90","","3598","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N O S -","- C23 H19 N O S -","- C184 H152 N8 O8 S8 -","8","1","","Lin Kong; Jia-xiang Yang; Zhao-ming Xue; Hong-ping Zhou; Long-jiu Cheng; Qiong Zhang; Jie-ying Wu; Bao-kang Jin; Sheng-yi Zhang; Yu-peng Tian","Regulation of luminescence band and exploration of antibacterial activity of a nanohybrid composed of fluorophore-phenothiazine nanoribbons dispersed with Ag nanoparticles","Journal of Materials Chemistry C","2013","1","","5047","5057","10.1039/C3TC30515E","","","0.71073","MoKα","","0.1129","0.0515","","","0.1277","0.1588","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233483","8.6174","0.0001","11.3389","0.0002","19.7751","0.0003","92.949","0.001","98.462","0.001","94.427","0.001","1901.66","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H32 N6 -","- C53 H32 N6 -","- C106 H64 N12 -","2","1","","Tsu-Hui Su; Chun-Hsiang Fan; Yu-Han Ou-Yang; Lun-Chia Hsu; Chien-Hong Cheng","Highly efficient deep-red organic electrophosphorescent devices with excellent operational stability using bis(indoloquinoxalinyl) derivatives as the host materials","Journal of Materials Chemistry C","2013","1","","5084","5092","10.1039/C3TC30823E","","","0.71073","MoKα","","0.0525","0.0387","","","0.1034","0.1164","","","","","","1.08","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233484","5.8757","0.0008","11.0628","0.0015","12.9069","0.0017","75.27","0.003","78.072","0.003","87.7","0.003","793.81","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H28 N6 -","- C46 H28 N6 -","- C46 H28 N6 -","1","0.5","","Tsu-Hui Su; Chun-Hsiang Fan; Yu-Han Ou-Yang; Lun-Chia Hsu; Chien-Hong Cheng","Highly efficient deep-red organic electrophosphorescent devices with excellent operational stability using bis(indoloquinoxalinyl) derivatives as the host materials","Journal of Materials Chemistry C","2013","1","","5084","5092","10.1039/C3TC30823E","","","0.71073","MoKα","","0.0817","0.0728","","","0.1748","0.1794","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233485","12.8002","0.0005","14.0687","0.0006","19.615","0.0007","80.878","0.003","85.943","0.002","88.948","0.003","3478.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H29 N7 -","- C47 H29 N7 -","- C188 H116 N28 -","4","2","","Tsu-Hui Su; Chun-Hsiang Fan; Yu-Han Ou-Yang; Lun-Chia Hsu; Chien-Hong Cheng","Highly efficient deep-red organic electrophosphorescent devices with excellent operational stability using bis(indoloquinoxalinyl) derivatives as the host materials","Journal of Materials Chemistry C","2013","1","","5084","5092","10.1039/C3TC30823E","","","0.71073","MoKα","","0.1666","0.0715","","","0.1561","0.2056","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233486","10.361","0.0004","14.0189","0.0004","14.7013","0.0004","81.415","0.002","71.874","0.002","70.406","0.002","1909.47","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H132 Ag4 N12 O10 -","- C60 H132 Ag4 N12 O10 -","- C60 H132 Ag4 N12 O10 -","1","0.5","","Chen-Ni Chen; Teng-Yuan Dong; Ting-Chang Chang; Min-Chen Chen; Ho-Lin Tsai; Weng-Sing Hwang","Solution-based beta-diketonate silver ink for direct printing of highly conductive features on a flexible substrate","Journal of Materials Chemistry C","2013","1","","5161","5168","10.1039/C3TC30911H","","","0.71073","MoKα","","0.0496","0.0334","","","0.0881","0.1059","","","","","","1.127","","","","has coordinates,has disorder","217747","2020-10-21","18:00:00",""
"7233487","7.7081","0.0009","8.6036","0.0009","15.1979","0.0018","86.966","0.006","80.202","0.006","69.316","0.005","929.14","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Au N O -","- C19 H26 Au N O -","- C38 H52 Au2 N2 O2 -","2","1","","Kaori Fujisawa; Naoya Kawakami; Yusuke Onishi; Yuichi Izumi; Sho Tamai; Nana Sugimoto; Osamu Tsutsumi","Photoluminescent properties of liquid crystalline gold(I) isocyanide complexes with a rod-like molecular structure","Journal of Materials Chemistry C","2013","1","","5359","5366","10.1039/C3TC31105H","","","0.71075","MoKα","","","0.0585","","","","0.1741","","","","","","1.136","","","","has coordinates","217750","2020-10-21","18:00:00",""
"7233488","7.3596","0.0008","9.8116","0.0006","13.9641","0.0014","89.373","0.007","88.527","0.009","83.285","0.006","1001.06","0.16","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Au N O -","- C20 H28 Au N O -","- C40 H56 Au2 N2 O2 -","2","1","","Kaori Fujisawa; Naoya Kawakami; Yusuke Onishi; Yuichi Izumi; Sho Tamai; Nana Sugimoto; Osamu Tsutsumi","Photoluminescent properties of liquid crystalline gold(I) isocyanide complexes with a rod-like molecular structure","Journal of Materials Chemistry C","2013","1","","5359","5366","10.1039/C3TC31105H","","x-ray","1.54184","CuKα","","0.0506","0.0453","","","","0.1246","","","","","","1.18","","","","has coordinates,has disorder","217751","2020-10-21","18:00:00",""
"7233489","7.4166","0.0008","9.7574","0.0017","14.458","0.0017","90.711","0.013","90.313","0.011","97.749","0.011","1036.6","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","1c","","- C21 H30 Au N O -","- C21 H30 Au N O -","- C42 H60 Au2 N2 O2 -","2","1","","Kaori Fujisawa; Naoya Kawakami; Yusuke Onishi; Yuichi Izumi; Sho Tamai; Nana Sugimoto; Osamu Tsutsumi","Photoluminescent properties of liquid crystalline gold(I) isocyanide complexes with a rod-like molecular structure","Journal of Materials Chemistry C","2013","1","","5359","5366","10.1039/C3TC31105H","","x-ray","1.54178","CuKα","","0.0377","0.0368","","","","0.0994","","","","","","1.145","","","","has coordinates,has disorder","217752","2020-10-21","18:00:00",""
"7233490","8.9221","0.0016","9.6174","0.0011","13.6118","0.0019","76.298","0.01","77.979","0.013","87.684","0.013","1109.8","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","1d","","- C22 H32 Au N O -","- C22 H32 Au N O -","- C44 H64 Au2 N2 O2 -","2","1","","Kaori Fujisawa; Naoya Kawakami; Yusuke Onishi; Yuichi Izumi; Sho Tamai; Nana Sugimoto; Osamu Tsutsumi","Photoluminescent properties of liquid crystalline gold(I) isocyanide complexes with a rod-like molecular structure","Journal of Materials Chemistry C","2013","1","","5359","5366","10.1039/C3TC31105H","","","1.54184","CuKα","","0.098","0.0473","","","","0.132","","","","","","1.008","","","","has coordinates,has disorder","217753","2020-10-21","18:00:00",""
"7233491","27.567","0.008","9.156","0.003","13.752","0.014","90","","97.93","0.05","90","","3438","4","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C176 H144 N16 O32 -","8","1","","Tomoyuki Kakinuma; Hirotaka Kojima; Minoru Ashizawa; Hidetoshi Matsumoto; Takehiko Mori","Correlation of mobility and molecular packing in organic transistors based on cycloalkyl naphthalene diimides","Journal of Materials Chemistry C","2013","1","","5395","5401","10.1039/C3TC30920G","","","0.71069","MoKα","","","0.0509","","","","0.1603","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233492","6.0407","0.0018","16.75","0.006","5.2404","0.0019","98.72","0.05","104.53","0.05","74.8","0.05","493.2","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","1","0.5","","Tomoyuki Kakinuma; Hirotaka Kojima; Minoru Ashizawa; Hidetoshi Matsumoto; Takehiko Mori","Correlation of mobility and molecular packing in organic transistors based on cycloalkyl naphthalene diimides","Journal of Materials Chemistry C","2013","1","","5395","5401","10.1039/C3TC30920G","","","0.7107","MoKα","","","0.0664","","","","0.1502","","","","","","1.257","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233493","6.211","0.006","17.454","0.015","5.236","0.006","90.85","0.04","100.77","0.04","94.3","0.03","555.8","1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","1","0.5","","Tomoyuki Kakinuma; Hirotaka Kojima; Minoru Ashizawa; Hidetoshi Matsumoto; Takehiko Mori","Correlation of mobility and molecular packing in organic transistors based on cycloalkyl naphthalene diimides","Journal of Materials Chemistry C","2013","1","","5395","5401","10.1039/C3TC30920G","","","0.7107","MoKα","","","0.1209","","","","0.4078","","","","","","0.855","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233494","19.385","0.004","7.095","0.003","8.96","0.004","90","","97.38","0.02","90","","1222.1","0.8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 O4 -","- C30 H34 N2 O4 -","- C60 H68 N4 O8 -","2","0.5","","Tomoyuki Kakinuma; Hirotaka Kojima; Minoru Ashizawa; Hidetoshi Matsumoto; Takehiko Mori","Correlation of mobility and molecular packing in organic transistors based on cycloalkyl naphthalene diimides","Journal of Materials Chemistry C","2013","1","","5395","5401","10.1039/C3TC30920G","","","0.71069","MoKα","","","0.0669","","","","0.2591","","","","","","0.979","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233495","25.1073","0.0011","11.3157","0.0005","12.0314","0.0005","90","","96.39","0.002","90","","3397","0.3","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H30 N2 -","- C52 H30 N2 -","- C208 H120 N8 -","4","0.5","","Rajeswara Rao M; Chia-Wei Liao; Wei-Lin Su; Shih-Sheng Sun","Quinoxaline based D-A-D molecules: high contrast reversible solid-state mechano- and thermo-responsive fluorescent materials","Journal of Materials Chemistry C","2013","1","","5491","5501","10.1039/C3TC31179A","","","0.71073","MoKα","","0.0841","0.0487","","","0.1075","0.1237","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233496","8.1522","0.0002","26.7993","0.0007","16.6605","0.0004","90","","95.25","0.001","90","","3624.6","0.16","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 N2 -","- C47.892 H29.91 N2 -","- C191.568 H119.64 N8 -","4","1","","Rajeswara Rao M; Chia-Wei Liao; Wei-Lin Su; Shih-Sheng Sun","Quinoxaline based D-A-D molecules: high contrast reversible solid-state mechano- and thermo-responsive fluorescent materials","Journal of Materials Chemistry C","2013","1","","5491","5501","10.1039/C3TC31179A","","","0.71073","MoKα","","0.1076","0.0683","","","0.1814","0.1977","","","","","","1.141","","","","has coordinates,has disorder","217759","2020-10-21","18:00:00",""
"7233497","8.958","0.006","10.065","0.005","15.398","0.008","100.358","0.017","100.19","0.02","90.81","0.02","1342.6","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H82 N4 O2 -","- C64 H82 N4 O2 -","- C64 H82 N4 O2 -","1","0.5","","Chenguang Wang; Dong Chen; Weiping Chen; Shanyong Chen; Kaiqi Ye; Hongyu Zhang; Jingying Zhang; Yue Wang","Polymorph, assembly, luminescence and semiconductor properties of a quinacridone derivative with extended pi-conjugated framework","Journal of Materials Chemistry C","2013","1","","5548","5556","10.1039/C3TC30803K","","","0.71073","MoKα","","0.1069","0.0525","","","0.1309","0.1541","","","","","","0.917","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233498","9.04","0.008","10.523","0.007","14.736","0.01","75.89","0.02","89.97","0.03","89.11","0.03","1359.3","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H82 N4 O2 -","- C64 H82 N4 O2 -","- C64 H82 N4 O2 -","1","0.5","","Chenguang Wang; Dong Chen; Weiping Chen; Shanyong Chen; Kaiqi Ye; Hongyu Zhang; Jingying Zhang; Yue Wang","Polymorph, assembly, luminescence and semiconductor properties of a quinacridone derivative with extended pi-conjugated framework","Journal of Materials Chemistry C","2013","1","","5548","5556","10.1039/C3TC30803K","","","0.71073","MoKα","","0.2425","0.09","","","0.2052","0.2817","","","","","","0.954","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233499","8.8808","0.0003","10.9801","0.0003","13.8034","0.0004","82.731","0.002","72.77","0.001","76.798","0.002","1249.11","0.07","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N4 O3 -","- C26 H34 N4 O3 -","- C52 H68 N8 O6 -","2","1","","Muhammad Tariq; Shahid Hameed; Ivan H. Bechtold; Adailton J. Bortoluzzi; Aloir A. Merlo","Synthesis and characterization of some novel tetrazole liquid crystals","Journal of Materials Chemistry C","2013","1","","5583","5593","10.1039/C3TC30966E","","","0.71073","MoKα","","0.0785","0.0629","","","0.1824","0.2006","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233500","6.1964","0.0004","7.3745","0.0004","33.1004","0.0018","93.63","0.003","94.782","0.003","95.576","0.003","1496.24","0.15","190","2","190","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H46 N4 O3 -","- C32 H46 N4 O3 -","- C64 H92 N8 O6 -","2","2","","Muhammad Tariq; Shahid Hameed; Ivan H. Bechtold; Adailton J. Bortoluzzi; Aloir A. Merlo","Synthesis and characterization of some novel tetrazole liquid crystals","Journal of Materials Chemistry C","2013","1","","5583","5593","10.1039/C3TC30966E","","","0.71073","MoKα","","0.079","0.0661","","","0.172","0.1794","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233501","13.4731","0.0001","15.1376","0.0001","19.00509","0.00012","90","","106.9","0.0007","90","","3708.7","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Phenyl-C61-butyric acid methyl ester'","Phenyl-C61-butyric acid methyl ester'","","- C72 H14 O2 -","- C72 H14 O2 -","- C288 H56 O8 -","4","1","","Giuseppe Paterna; Anna J. Warren; Jacob Spencer; Gwyndaf Evans; Victoria Garcia Sakai; Jochen Blumberger; Franco Cacialli","Micro-focused X-ray diffraction characterization of high-quality [6,6]-phenyl-C61-butyric acid methyl ester single crystals without solvent impurities","Journal of Materials Chemistry C","2013","1","","5619","5623","10.1039/C3TC31075B","","","0.62","Synchrotron","","0.0581","0.0512","","","0.1426","0.1503","","","","","","1.058","","","","has coordinates","217771","2020-10-21","18:00:00",""
"7233502","9.2956","0.0001","16.8937","0.0005","14.1056","0.0003","90","","108.13","0.002","90","","2105.13","0.08","173","0.14","173","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Si -","- C28 H22 Si -","- C112 H88 Si4 -","4","1","","Engui Zhao; Jacky W. Y. Lam; Yuning Hong; Jianzhao Liu; Qian Peng; Jianhua Hao; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","How do substituents affect silole emission?","Journal of Materials Chemistry C","2013","1","","5661","5668","10.1039/C3TC30880D","","x-ray","1.5418","CuKα","","0.0344","0.0318","","","0.0839","0.086","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233503","18.8276","0.0004","11.936","0.0003","15.027","0.0003","90","","104.794","0.002","90","","3265.02","0.13","173","0.14","173","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Si2 -","- C39 H34 Si2 -","- C156 H136 Si8 -","4","1","","Engui Zhao; Jacky W. Y. Lam; Yuning Hong; Jianzhao Liu; Qian Peng; Jianhua Hao; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","How do substituents affect silole emission?","Journal of Materials Chemistry C","2013","1","","5661","5668","10.1039/C3TC30880D","","x-ray","1.5418","CuKα","","0.0714","0.057","","","0.1425","0.1556","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233504","11.2522","0.0002","24.9636","0.0004","18.4374","0.0004","90","","104.987","0.002","90","","5002.82","0.17","173","2","173","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H50 Cl4 Si3 -","- C52 H50 Cl4 Si3 -","- C208 H200 Cl16 Si12 -","4","0.5","","Engui Zhao; Jacky W. Y. Lam; Yuning Hong; Jianzhao Liu; Qian Peng; Jianhua Hao; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","How do substituents affect silole emission?","Journal of Materials Chemistry C","2013","1","","5661","5668","10.1039/C3TC30880D","","x-ray","1.5418","CuKα","","0.0611","0.0587","","","0.1619","0.1644","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233505","21.092","0.013","6.521","0.003","12.149","0.007","90","","119.587","0.008","90","","1453.1","1.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Di Jiang; Zheng Xue; Yongjun Li; Huibiao Liu; Wensheng Yang","Synthesis of donor-acceptor molecules based on isoxazolones for investigation of their nonlinear optical properties","Journal of Materials Chemistry C","2013","1","","5694","5700","10.1039/C3TC31228C","","","0.71073","MoKα","","0.0556","0.0539","","","0.1341","0.1356","","","","","","1.109","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233506","5.844","0.004","7.72","0.005","44.76","0.03","90","","90","","90","","2019","2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","1","","Di Jiang; Zheng Xue; Yongjun Li; Huibiao Liu; Wensheng Yang","Synthesis of donor-acceptor molecules based on isoxazolones for investigation of their nonlinear optical properties","Journal of Materials Chemistry C","2013","1","","5694","5700","10.1039/C3TC31228C","","","0.71073","MoKα","","0.0942","0.0851","","","0.1588","0.1635","","","","","","1.206","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233507","16.6077","0.0015","8.2169","0.0008","20.052","0.002","90","","109.011","0.011","90","","2587.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C144 H96 N8 O8 -","4","1","","Di Jiang; Zheng Xue; Yongjun Li; Huibiao Liu; Wensheng Yang","Synthesis of donor-acceptor molecules based on isoxazolones for investigation of their nonlinear optical properties","Journal of Materials Chemistry C","2013","1","","5694","5700","10.1039/C3TC31228C","","","1.54178","CuKα","","0.0718","0.0528","","","0.1428","0.1649","","","","","","0.996","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233508","13.7978","0.0009","17.4765","0.0012","26.166","0.0017","83.044","0.005","79.39","0.005","88.249","0.005","6155.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(2,6-dimethyl-3,5-heptanedionate)mono(5-nitro- 1,10-phenanthroline)erbium(III)","","- C39 H52 Er N3 O8 -","- C39 H52 Er N3 O8 -","- C234 H312 Er6 N18 O48 -","6","3","","P. Martin-Ramos; V. Lavin; M. Ramos Silva; I. R. Martin; F. Lahoz; P. Chamorro-Posada; J. A. Paixao; J. Martin-Gil","Novel erbium(III) complexes with 2,6-dimethyl-3,5-heptanedione and different N,N-donor ligands for ormosil and PMMA matrices doping","Journal of Materials Chemistry C","2013","1","","5701","5710","10.1039/C3TC30686K","","","0.71073","MoKα","","0.2784","0.0812","","","0.1535","0.219","","","","","","0.938","","","","has coordinates,has disorder","217778","2020-10-21","18:00:00",""
"7233509","13.2245","0.0003","16.7752","0.0004","18.0529","0.0004","92.312","0.001","94.601","0.001","92.751","0.001","3983.48","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(2,6-dimethyl-3,5-heptanedionate) mono(2,2-bipyridine)erbium(III)","","- C37 H53 Er N2 O6 -","- C37 H53 Er N2 O6 -","- C148 H212 Er4 N8 O24 -","4","2","","P. Martin-Ramos; V. Lavin; M. Ramos Silva; I. R. Martin; F. Lahoz; P. Chamorro-Posada; J. A. Paixao; J. Martin-Gil","Novel erbium(III) complexes with 2,6-dimethyl-3,5-heptanedione and different N,N-donor ligands for ormosil and PMMA matrices doping","Journal of Materials Chemistry C","2013","1","","5701","5710","10.1039/C3TC30686K","","","0.71073","MoKα","","0.0914","0.0409","","","0.0869","0.1052","","","","","","0.973","","","","has coordinates","217779","2020-10-21","18:00:00",""
"7233510","14.3822","0.0004","15.6172","0.0005","23.5197","0.0006","90","","105.38","0.0014","90","","5093.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(2,6-dimethyl-3,5-heptanedionate) mono(bathophenanthroline)erbium(III)","","- C51 H61 Er N2 O6 -","- C51 H61 Er N2 O6 -","- C204 H244 Er4 N8 O24 -","4","1","","P. Martin-Ramos; V. Lavin; M. Ramos Silva; I. R. Martin; F. Lahoz; P. Chamorro-Posada; J. A. Paixao; J. Martin-Gil","Novel erbium(III) complexes with 2,6-dimethyl-3,5-heptanedione and different N,N-donor ligands for ormosil and PMMA matrices doping","Journal of Materials Chemistry C","2013","1","","5701","5710","10.1039/C3TC30686K","","","0.71073","MoKα","","0.0709","0.0484","","","0.1439","0.1659","","","","","","1.035","","","","has coordinates,has disorder","217780","2020-10-21","18:00:00",""
"7233511","14.5958","0.0011","14.9387","0.001","16.2175","0.0011","90","","98.656","0.002","90","","3495.8","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl2 N2 Si2 -","- C34 H46 Cl2 N2 Si2 -","- C136 H184 Cl8 N8 Si8 -","4","1","","Benjamin D. Lindner; Yexiang Zhang; Stefan Hofle; Nancy Berger; Claudia Teusch; Malte Jesper; Kenneth I. Hardcastle; Xuhong Qian; Uli Lemmer; Alexander Colsmann; Uwe H. F. Bunz; Manuel Hamburger","N-Fused quinoxalines and benzoquinoxalines as attractive emitters for organic light emitting diodes","Journal of Materials Chemistry C","2013","1","","5718","5724","10.1039/C3TC30828F","","","0.71073","MoKα","","0.1088","0.0518","","","0.1057","0.1273","","","","","","0.997","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233512","14.8061","0.001","16.0206","0.0011","17.5296","0.0011","97.524","0.004","98.064","0.004","90.635","0.004","4079.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 N2 Si2 -","- C46 H54 N2 Si2 -","- C184 H216 N8 Si8 -","4","2","","Benjamin D. Lindner; Yexiang Zhang; Stefan Hofle; Nancy Berger; Claudia Teusch; Malte Jesper; Kenneth I. Hardcastle; Xuhong Qian; Uli Lemmer; Alexander Colsmann; Uwe H. F. Bunz; Manuel Hamburger","N-Fused quinoxalines and benzoquinoxalines as attractive emitters for organic light emitting diodes","Journal of Materials Chemistry C","2013","1","","5718","5724","10.1039/C3TC30828F","","","1.54178","CuKα","","0.1516","0.0762","","","0.1721","0.208","","","","","","1.042","","","","has coordinates,has disorder","217782","2020-10-21","18:00:00",""
"7233513","11.1333","0.0012","13.6022","0.0015","17.6452","0.0019","80.944","0.002","81.277","0.002","72.615","0.002","2502.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H74 N2 Si2 -","- C54 H74 N2 Si2 -","- C108 H148 N4 Si4 -","2","1","","Benjamin D. Lindner; Yexiang Zhang; Stefan Hofle; Nancy Berger; Claudia Teusch; Malte Jesper; Kenneth I. Hardcastle; Xuhong Qian; Uli Lemmer; Alexander Colsmann; Uwe H. F. Bunz; Manuel Hamburger","N-Fused quinoxalines and benzoquinoxalines as attractive emitters for organic light emitting diodes","Journal of Materials Chemistry C","2013","1","","5718","5724","10.1039/C3TC30828F","","","0.71073","MoKα","","0.1222","0.0652","","","0.1716","0.2064","","","","","","1.069","","","","has coordinates,has disorder","217783","2020-10-21","18:00:00",""
"7233514","14.5474","0.0008","14.9254","0.0009","16.2869","0.001","90","","97.065","0.004","90","","3509.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 N2 Si2 -","- C36 H52 N2 Si2 -","- C144 H208 N8 Si8 -","4","1","","Benjamin D. Lindner; Yexiang Zhang; Stefan Hofle; Nancy Berger; Claudia Teusch; Malte Jesper; Kenneth I. Hardcastle; Xuhong Qian; Uli Lemmer; Alexander Colsmann; Uwe H. F. Bunz; Manuel Hamburger","N-Fused quinoxalines and benzoquinoxalines as attractive emitters for organic light emitting diodes","Journal of Materials Chemistry C","2013","1","","5718","5724","10.1039/C3TC30828F","","","0.71073","MoKα","","0.0836","0.0607","","","0.1509","0.1667","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233515","7.262","0.003","9.148","0.005","11.131","0.005","102.635","0.008","94.961","0.007","106.756","0.005","682","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 S4 -","- C36 H26 S4 -","- C36 H26 S4 -","1","0.5","","Jing Zhang; Zhiying Ma; Qian Zhang; Tarunpreet Singh Virk; Hua Geng; Dong Wang; Wei Xu; Zhigang Shuai; Kamaljit Singh; Wenping Hu; Daoben Zhu","Substitution effects on the electrical tranporting properties of tetrathia[22]annulene[2,1,2,1]: experimental and theoretical investigations","Journal of Materials Chemistry C","2013","1","","5765","5771","10.1039/C3TC30776J","","","0.71073","MoKα","","0.0496","0.0462","","","0.118","0.1213","","","","","","1.08","","","","has coordinates","217785","2020-10-21","18:00:00",""
"7233516","11.102","0.003","11.949","0.003","12.195","0.003","108.95","0.002","112.42","0.002","95.82","0.002","1366.7","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 Cl2 S4 -","- C34 H20 Cl2 S4 -","- C68 H40 Cl4 S8 -","2","1","","Jing Zhang; Zhiying Ma; Qian Zhang; Tarunpreet Singh Virk; Hua Geng; Dong Wang; Wei Xu; Zhigang Shuai; Kamaljit Singh; Wenping Hu; Daoben Zhu","Substitution effects on the electrical tranporting properties of tetrathia[22]annulene[2,1,2,1]: experimental and theoretical investigations","Journal of Materials Chemistry C","2013","1","","5765","5771","10.1039/C3TC30776J","","","0.71073","MoKα","","0.0525","0.0455","","","0.1041","0.1078","","","","","","1.117","","","","has coordinates","217786","2020-10-21","18:00:00",""
"7233517","21.1753","0.0011","21.0416","0.0011","15.4504","0.0008","90","","90","","90","","6884.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 Gd7 O60 S8 -","- C28 H45 Gd7 O59.55 S8 -","- C112 H180 Gd28 O238.2 S32 -","4","1","","Richard F. D Vries; Susana Alvarez-Garcia; Natalia Snejko; Luisa E. Bausa; Enrique Gutierrez-Puebla; Alicia de Andres; M. Angeles Monge","Multimetal rare earth MOFs for lighting and thermometry: tailoring color and optimal temperature range through enhanced disulfobenzoic triplet phosphorescence","Journal of Materials Chemistry C","2013","1","","6316","6324","10.1039/C3TC30858H","","","0.71073","MoKα","","0.0574","0.0448","","","0.0999","0.108","","","","","","1.111","","","","has coordinates,has disorder","217787","2020-10-21","18:00:00",""
"7233518","10.544","0.005","36.761","0.017","5.8903","0.0019","90","","101.277","0.016","90","","2239","1.7","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C50 H28 O4 S -","- C50 H28 O4 S -","- C100 H56 O8 S2 -","2","0.25","","Rajeswara Rao M; Chia-Wei Liao; Shih-Sheng Sun","Structurally simple thienodipyrandione-containing reversible fluorescent switching piezo- and acido-chromic materials","Journal of Materials Chemistry C","2013","1","","6386","6394","10.1039/C3TC31504E","","","0.71073","MoKα","","0.218","0.0834","","","0.2048","0.2504","","","","","","0.876","","","","has coordinates","217788","2020-10-21","18:00:00",""
"7233519","36.933","0.005","13.519","0.0017","11.839","0.0013","90","","94.1","0.012","90","","5896.1","1.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 O5 S2 -","- C40 H26 O5 S2 -","- C320 H208 O40 S16 -","8","1","","Rajeswara Rao M; Chia-Wei Liao; Shih-Sheng Sun","Structurally simple thienodipyrandione-containing reversible fluorescent switching piezo- and acido-chromic materials","Journal of Materials Chemistry C","2013","1","","6386","6394","10.1039/C3TC31504E","","","0.71073","MoKα","","0.2354","0.0962","","","0.1762","0.2348","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233520","7.2587","0.0015","13.877","0.003","13.896","0.003","75.68","0.03","87.39","0.03","78.99","0.03","1331.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 S Si2 -","- C30 H28 S Si2 -","- C60 H56 S2 Si4 -","2","1","","Weifeng Zhang; Ji Zhang; Xiangyang Chen; Zupan Mao; Xiaodong Xie; Liping Wang; Yi Liao; Gui Yu; Yunqi Liu; Daoben Zhu","Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties","Journal of Materials Chemistry C","2012","1","","6403","6410","10.1039/C3TC31421A","","","0.71073","MoKα","","0.0841","0.0719","","","0.146","0.1529","","","","","","1.165","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233521","12.241","0.002","15.168","0.003","20.461","0.004","90","","93.26","0.003","90","","3792.9","1.2","173","2","446","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 S Si2 -","- C42 H52 S Si2 -","- C168 H208 S4 Si8 -","4","1","","Weifeng Zhang; Ji Zhang; Xiangyang Chen; Zupan Mao; Xiaodong Xie; Liping Wang; Yi Liao; Gui Yu; Yunqi Liu; Daoben Zhu","Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties","Journal of Materials Chemistry C","2012","1","","6403","6410","10.1039/C3TC31421A","","","0.71073","MoKα","","0.0896","0.0812","","","0.1584","0.1628","","","","","","1.231","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233522","8.545","0.002","17.738","0.004","25.019","0.006","90","","90.907","0.004","90","","3791.7","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 S Si2 -","- C42 H52 S Si2 -","- C168 H208 S4 Si8 -","4","1","","Weifeng Zhang; Ji Zhang; Xiangyang Chen; Zupan Mao; Xiaodong Xie; Liping Wang; Yi Liao; Gui Yu; Yunqi Liu; Daoben Zhu","Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties","Journal of Materials Chemistry C","2012","1","","6403","6410","10.1039/C3TC31421A","","","0.71073","MoKα","","0.1168","0.0985","","","0.1742","0.1834","","","","","","1.234","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233544","25.083","0.005","9.7633","0.0017","16.902","0.003","90","","101.13","0.002","90","","4061.3","1.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H37 Cl4 Ir N4 O2 -","- C45 H37 Cl4 Ir N4 O2 -","- C180 H148 Cl16 Ir4 N16 O8 -","4","0.5","","Ran Tao; Juan Qiao; Guoliang Zhang; Lian Duan; Chao Chen; Liduo Wang; Yong Qiu","High-efficiency near-infrared organic light-emitting devices based on an iridium complex with negligible efficiency roll-off","Journal of Materials Chemistry C","2012","1","","6446","6454","10.1039/C3TC30866A","","","0.71073","MoKα","","0.0459","0.0448","","","0.1157","0.1165","","","","","","1.408","","","","has coordinates","217823","2020-10-21","18:00:00",""
"7233545","8.8613","0.0018","15.781","0.003","10.632","0.002","90","","100.71","0.03","90","","1460.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 -","- C38 H36 N2 -","- C76 H72 N4 -","2","0.5","","Shanyong Chen; Jinbei Wei; Kai Wang; Chenguang Wang; Dong Chen; Yu Liu; Yue Wang","Constructing high-performance blue, yellow and red electroluminescent devices based on a class of multifunctional organic materials","Journal of Materials Chemistry C","2012","1","","6594","6602","10.1039/C3TC31271B","","","0.71073","MoKα","","0.1097","0.0566","","","0.1337","0.1572","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233546","8.7236","0.0017","12.994","0.003","16.506","0.003","74.1","0.03","79.08","0.03","74.9","0.03","1723.2","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H40 N2 -","- C46 H40 N2 -","- C92 H80 N4 -","2","1","","Shanyong Chen; Jinbei Wei; Kai Wang; Chenguang Wang; Dong Chen; Yu Liu; Yue Wang","Constructing high-performance blue, yellow and red electroluminescent devices based on a class of multifunctional organic materials","Journal of Materials Chemistry C","2012","1","","6594","6602","10.1039/C3TC31271B","","","0.71073","MoKα","","0.2379","0.1144","","","0.2992","0.3772","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233547","12.122","0.001","9.792","0.0008","21.821","0.0019","90","","95.521","0.001","90","","2578.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Ir N3 O S -","- C31 H24 Ir N3 O S -","- C124 H96 Ir4 N12 O4 S4 -","4","1","","Kai Chao; Kuizhan Shao; Tai Peng; Dongxia Zhu; Yue Wang; Yu Liu; Zhongmin Su; Martin R. Bryce","New oxazoline- and thiazoline-containing heteroleptic iridium(III) complexes for highly-efficient phosphorescent organic light-emitting devices (PhOLEDs): colour tuning by varying the electroluminescence bandwidth","Journal of Materials Chemistry C","2012","1","","6800","6806","10.1039/C3TC31463D","","","0.71069","MoKα","","0.0486","0.0291","","","0.0512","0.0566","","","","","","0.985","","","","has coordinates","217826","2020-10-21","18:00:00",""
"7233548","11.734","0.002","9.6222","0.0019","22.223","0.004","90","","96.82","0.03","90","","2491.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Ir N3 O2 -","- C31 H24 Ir N3 O2 -","- C124 H96 Ir4 N12 O8 -","4","1","","Kai Chao; Kuizhan Shao; Tai Peng; Dongxia Zhu; Yue Wang; Yu Liu; Zhongmin Su; Martin R. Bryce","New oxazoline- and thiazoline-containing heteroleptic iridium(III) complexes for highly-efficient phosphorescent organic light-emitting devices (PhOLEDs): colour tuning by varying the electroluminescence bandwidth","Journal of Materials Chemistry C","2012","1","","6800","6806","10.1039/C3TC31463D","","","0.71073","MoKα","","0.0521","0.0299","","","0.0489","0.0567","","","","","","1.042","","","","has coordinates","217827","2020-10-21","18:00:00",""
"7233549","10.969","0.005","7.342","0.005","36.533","0.005","90","0.005","90","0.005","90","0.005","2942","2","296","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C152 H104 N24 O8 -","8","1","","Lianke Wang; Zheng Zheng; Zhipeng Yu; Jun Zheng; Min Fang; Jieying Wu; Yupeng Tian; Hongping Zhou","Schiff base particles with aggregation-induced enhanced emission: random aggregation preventing pi-pi stacking","Journal of Materials Chemistry C","2012","1","","6952","6959","10.1039/C3TC31626B","","","0.71069","MoKα","","0.0457","0.0378","","","0.1133","0.1275","","","","","","1.115","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233550","9.2346","0.0014","10.1144","0.0015","24.687","0.004","79.828","0.002","89.103","0.002","72.21","0.002","2159.3","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H48 N6 -","- C52 H48 N6 -","- C104 H96 N12 -","2","1","","Wen-bin Jia; Hao-wei Wang; Long-mei Yang; Hong-bo Lu; Lin Kong; Yu-peng Tian; Xu-tang Tao; Jia-xiang Yang","Synthesis of two novel indolo[3,2-b]carbazole derivatives with aggregation-enhanced emission property","Journal of Materials Chemistry C","2012","1","","7092","7101","10.1039/C3TC31590H","","","0.71073","MoKα","","0.1183","0.0581","","","0.1315","0.1522","","","","","","1.03","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7233551","9.416","0.0002","12.7884","0.0002","12.9807","0.0004","90","","108.879","0.003","90","","1478.99","0.07","173","0.14","173","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N5 -","- C15 H17 N5 -","- C60 H68 N20 -","4","1","","Tianyu Han; Yuning Hong; Ni Xie; Sijie Chen; Na Zhao; Engui Zhao; Jacky W. Y. Lam; Herman H. Y. Sung; Yuping Dong; Bin Tong; Ben Zhong Tang","Defect-sensitive crystals based on diaminomaleonitrile-functionalized Schiff base with aggregation-enhanced emission","Journal of Materials Chemistry C","2012","1","","7314","7320","10.1039/C3TC31562B","","x-ray","1.5418","CuKα","","0.0379","0.0355","","","0.0999","0.1027","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233552","8.689","0.0012","11.6597","0.0016","16.959","0.002","90","","90","","90","","1718.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N3 -","- C24 H17 N3 -","- C96 H68 N12 -","4","1","","Bin Chen; Gang Yu; Xin Li; Yubin Ding; Cheng Wang; Zhiwei Liu; Yongshu Xie","Full-colour luminescent compounds based on anthracene and 2,2'-dipyridylamine","Journal of Materials Chemistry C","2012","1","","7409","7417","10.1039/C3TC31751J","","","0.71073","MoKα","","0.0446","0.0404","","","0.0937","0.0954","","","","","","1.13","","","","has coordinates","217831","2020-10-21","18:00:00",""
"7233553","24.46","0.002","10.408","0.001","15.1901","0.0014","90","","94.255","0.001","90","","3856.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N4 O -","- C47 H46 N4 O -","- C188 H184 N16 O4 -","4","1","","Bin Chen; Gang Yu; Xin Li; Yubin Ding; Cheng Wang; Zhiwei Liu; Yongshu Xie","Full-colour luminescent compounds based on anthracene and 2,2'-dipyridylamine","Journal of Materials Chemistry C","2012","1","","7409","7417","10.1039/C3TC31751J","","","0.71073","MoKα","","0.2338","0.093","","","0.2253","0.3489","","","","","","1.074","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233554","21.027","0.004","9.855","0.002","15.357","0.003","90","","100.44","0.03","90","","3129.6","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Be Cl2 N2 O4 -","- C35 H34 Be Cl2 N2 O4 -","- C140 H136 Be4 Cl8 N8 O16 -","4","0.5","","Xiao Cheng; Houyu Zhang; Kaiqi Ye; Hongyu Zhang; Yue Wang","Morphology-dependent fluorescence ON/OFF of a beryllium complex: ACQ in amorphous solids, AEE in crystalline powders and the dark/bright fluorescence switch","Journal of Materials Chemistry C","2012","1","","7507","7512","10.1039/C3TC31554A","","","0.71073","MoKα","","0.1882","0.0833","","","0.1955","0.2437","","","","","","1.051","","","","has coordinates","217833","2020-10-21","18:00:00",""
"7233555","20.489","0.004","10.148","0.002","14.499","0.003","90","","99.68","0.03","90","","2971.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Be N2 O5 -","- C34 H34 Be N2 O5 -","- C136 H136 Be4 N8 O20 -","4","0.5","","Xiao Cheng; Houyu Zhang; Kaiqi Ye; Hongyu Zhang; Yue Wang","Morphology-dependent fluorescence ON/OFF of a beryllium complex: ACQ in amorphous solids, AEE in crystalline powders and the dark/bright fluorescence switch","Journal of Materials Chemistry C","2012","1","","7507","7512","10.1039/C3TC31554A","","","0.71073","MoKα","","0.1141","0.0633","","","0.1769","0.2076","","","","","","1.07","","","","has coordinates,has disorder","217834","2020-10-21","18:00:00",""
"7233556","6.85","0.007","9.23","0.012","9.341","0.01","65.88","0.04","69.95","0.04","77.39","0.05","504.2","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C28 H20 N2 -","1","0.5","","Yujie Dong; Jibo Zhang; Xiao Tan; Lijuan Wang; Jinlong Chen; Bao Li; Ling Ye; Bin Xu; Bo Zou; Wenjing Tian","Multi-stimuli responsive fluorescence switching: the reversible piezochromism and protonation effect of a divinylanthracene derivative","Journal of Materials Chemistry C","2012","1","","7554","7559","10.1039/C3TC31553C","","","0.71073","MoKα","","0.0726","0.0463","","","0.1496","0.1889","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233557","7.5957","0.0015","5.7108","0.0011","22.899","0.005","90","","95.95","0.03","90","","988","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Yujie Dong; Jibo Zhang; Xiao Tan; Lijuan Wang; Jinlong Chen; Bao Li; Ling Ye; Bin Xu; Bo Zou; Wenjing Tian","Multi-stimuli responsive fluorescence switching: the reversible piezochromism and protonation effect of a divinylanthracene derivative","Journal of Materials Chemistry C","2012","1","","7554","7559","10.1039/C3TC31553C","","","0.71073","MoKα","","0.0596","0.0428","","","0.1269","0.138","","","","","","1.081","","","","has coordinates","217836","2020-10-21","18:00:00",""
"7233558","8.625","0.0004","10.1204","0.0005","15.1241","0.0007","89.209","0.001","73.586","0.001","78.832","0.001","1241.2","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H58 F6 N6 O4 Pt -","- C50 H58 F6 N6 O4 Pt -","- C50 H58 F6 N6 O4 Pt -","1","0.5","","Li-Min Huang; Guan-Min Tu; Yun Chi; Wen-Yi Hung; Yo-Cheng Song; Mei-Rurng Tseng; Pi-Tai Chou; Gene-Hsiang Lee; Ken-Tsung Wong; Shuo-Hsien Cheng; Wan-Shan Tsai","Mechanoluminescent and efficient white OLEDs for Pt(II) phosphors bearing spatially encumbered pyridinyl pyrazolate chelates","Journal of Materials Chemistry C","2012","1","","7582","7592","10.1039/C3TC31524J","","","0.71073","MoKα","","0.0254","0.0248","","","0.0599","0.0675","","","","","","1.11","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233559","18.706","0.0007","18.706","0.0007","29.477","0.002","90","","90","","120","","8932.6","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H42 F6 N6 Pt -","- C42 H42 F6 N6 Pt -","- C378 H378 F54 N54 Pt9 -","9","0.5","","Li-Min Huang; Guan-Min Tu; Yun Chi; Wen-Yi Hung; Yo-Cheng Song; Mei-Rurng Tseng; Pi-Tai Chou; Gene-Hsiang Lee; Ken-Tsung Wong; Shuo-Hsien Cheng; Wan-Shan Tsai","Mechanoluminescent and efficient white OLEDs for Pt(II) phosphors bearing spatially encumbered pyridinyl pyrazolate chelates","Journal of Materials Chemistry C","2012","1","","7582","7592","10.1039/C3TC31524J","","","0.71073","MoKα","","0.045","0.0414","","","0.0936","0.1033","","","","","","1.08","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233560","24.505","0.0008","9.0961","0.0003","29.5784","0.001","90","","105.123","0.002","90","","6364.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H78 Bi2 Cl4 O6 S12 -","- C43 H78 Bi2 Cl4 O6 S12 -","- C172 H312 Bi8 Cl16 O24 S48 -","4","0.5","","Verena Kaltenhauser; Thomas Rath; Wernfried Haas; Ana Torvisco; Stefan K. Muller; Bettina Friedel; Birgit Kunert; Robert Saf; Ferdinand Hofer; Gregor Trimmel","Bismuth sulphide-polymer nanocomposites from a highly soluble bismuth xanthate precursor","Journal of Materials Chemistry C","2012","1","","7825","7832","10.1039/C3TC31684J","","","0.71073","MoKα","","0.0396","0.0356","","","0.0844","0.0867","","","","","","1.064","","","","has coordinates","217839","2020-10-21","18:00:00",""
"7233561","7.2633","0.0002","10.0645","0.0001","10.0786","0.0002","90","","90","","90","","736.76","0.03","120","0.1","120","0.1","","","","","","","","4","C m c 21","C 2c -2","36","dabco hydrochloride","1,4diazabicyclo[2.2.2]octane hydrochloride","","- C6 H13 Cl N2 -","- C6 H13 Cl N2 -","- C24 H52 Cl4 N8 -","4","0.5","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.71073","MoKα","","0.028","0.0257","","","0.061","0.0624","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233562","7.368","0.006","10.076","0.002","10.227","0.005","90","0.04","90","0.06","90","0.06","759.3","0.7","295","1","295","1","","","","","","","","4","C m c 21","C 2c -2","36","dabco hydrochloride","1,4diazabicyclo[2.2.2]octane hydrochloride","","- C6 H13 Cl N2 -","- C6 H13 Cl N2 -","- C24 H52 Cl4 N8 -","4","0.5","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.71073","MoKα","","0.0324","0.0257","","","0.0708","0.0731","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233563","5.2847","0.0002","17.004","0.0013","12.0194","0.0009","90","","90","","90","","1080.08","0.12","295","0.1","295","0.1","","","","","","","","5","C m c m","-C 2c 2","63","dabco hydrochloride trihydrate","1,4diazabicyclo[2.2.2]octane hydrochloride trihydrate","","- C6 H19 Cl N2 O3 -","- C6 H17 Cl N2 O3 -","- C24 H68 Cl4 N8 O12 -","4","0.25","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.71073","MoKα","","0.1248","0.092","","","0.2768","0.3148","","","","","","1.106","","","","has coordinates","217842","2020-10-21","18:00:00",""
"7233564","5.313","0.003","16.988","0.011","12.159","0.01","90","","90","","90","","1097.4","1.3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H19 Cl N2 O3 -","- C6 H19 Cl N2 O3 -","- C24 H76 Cl4 N8 O12 -","4","0.25","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.837","","","0.0692","0.0458","","","0.104","0.1166","","","","","","1.165","","","","has coordinates","217843","2020-10-21","18:00:00",""
"7233565","16.488","0.003","5.2695","0.0011","12.254","0.003","90","","92.28","0.03","90","","1063.8","0.4","150","0.1","150","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","dabco hydrochloride","1,4diazabicyclo[2.2.2]octane hydrochloride","","- C6 H19 Cl N2 O3 -","- C6 H13 Cl N2 O3 -","- C24 H52 Cl4 N8 O12 -","4","0.5","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","1.54184","CuKα","","0.101","0.0992","","","0.2734","0.2744","","","","","","1.203","","","","has coordinates","217844","2020-10-21","18:00:00",""
"7235351","8.0569","0.0001","9.2642","0.0002","18.9932","0.0004","90","","90.551","0.002","90","","1417.6","0.05","120","2","120","2","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","4,4'-(buta-1,3-diyne-1,4-diyl)bis(N,N-diphenylaniline)","","- C40 H28 N2 -","- C40 H28 N2 -","- C80 H56 N4 -","2","0.5","","Planells, Miquel; Abate, Antonio; Hollman, Derek J.; Stranks, Samuel D.; Bharti, Vishal; Gaur, Jitender; Mohanty, Dibyajyoti; Chand, Suresh; Snaith, Henry J.; Robertson, Neil","Diacetylene bridged triphenylamines as hole transport materials for solid state dye sensitized solar cells","Journal of Materials Chemistry A","2013","1","23","6949","","10.1039/c3ta11417a","","x-ray","1.54178","CuKα","","0.0427","0.036","","","0.0892","0.0941","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235352","18.74123","0.00011","9.94915","0.00007","18.52083","0.00011","90","","90","","90","","3453.38","0.04","120","","120","","","","","","","","Synthetic","4","P c a 21","P 2c -2ac","29","","4,4'-(buta-1,3-diyne-1,4-diyl)bis(N,N-bis(4-methoxyphenyl)aniline)","","- C44 H36 N2 O4 -","- C44 H36 N2 O4 -","- C176 H144 N8 O16 -","4","1","","Planells, Miquel; Abate, Antonio; Hollman, Derek J.; Stranks, Samuel D.; Bharti, Vishal; Gaur, Jitender; Mohanty, Dibyajyoti; Chand, Suresh; Snaith, Henry J.; Robertson, Neil","Diacetylene bridged triphenylamines as hole transport materials for solid state dye sensitized solar cells","Journal of Materials Chemistry A","2013","1","23","6949","","10.1039/c3ta11417a","","x-ray","1.54184","CuKα","","0.0273","0.027","","0.0592","0.0589","0.0592","","","","","","1.0124","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7238382","21.6483","0.0019","12.6193","0.001","12.9254","0.0011","90","","96.078","0.002","90","","3511.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H25 F12 N O -","- C42 H25 F12 N O -","- C168 H100 F48 N4 O4 -","4","1","","Niu, Fangfang; Niu, Hanben; Liu, Yawei; Lian, Jiarong; Zeng, Pengju","Synthesis, characterization and application of starburst 9-alkyl-1,3,6,8-tetraaryl-carbazole derivatives for blue-violet to UV OLEDs","RSC Advances","2011","1","3","415","","10.1039/c1ra00014d","","","0.71073","MoKα","","0.1131","0.056","","","0.142","0.1625","","","","","","0.879","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238383","14.1956","0.0012","13.5254","0.0011","12.3722","0.001","90","","98.992","0.001","90","","2346.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cd3 N2 O20 -","- C18 H12 Cd3 N2 O20 -","- C72 H48 Cd12 N8 O80 -","4","1","","Ma, Lu-Fang; Qin, Jian-Hua; Wang, Li-Ya; Li, Dong-Sheng","Two unique (4,5,6)-connected 2D CdII coordination polymers based on the 5-nitro-1,2,3-benzenetricarboxylate ligand","RSC Advances","2011","1","2","180","","10.1039/c1ra00119a","","","0.71073","MoKα","","0.0199","0.0175","","","0.043","0.0442","","","","","","1.083","","","","has coordinates","244155","2020-10-21","18:00:00",""
"7238384","11.5392","0.0013","25.502","0.003","7.6065","0.0008","90","","105.907","0.001","90","","2152.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cd3 N10 O18 -","- C38 H36 Cd3 N10 O18 -","- C76 H72 Cd6 N20 O36 -","2","0.5","","Ma, Lu-Fang; Qin, Jian-Hua; Wang, Li-Ya; Li, Dong-Sheng","Two unique (4,5,6)-connected 2D CdII coordination polymers based on the 5-nitro-1,2,3-benzenetricarboxylate ligand","RSC Advances","2011","1","2","180","","10.1039/c1ra00119a","","","0.71073","MoKα","","0.0279","0.0241","","","0.0532","0.0548","","","","","","1.088","","","","has coordinates,has disorder","244155","2020-10-21","18:00:00",""
"7238385","5.0573","0.0013","14.471","0.004","31.891","0.009","90","","90","","90","","2333.9","1.1","293","2","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","C30H28N2F2","C30H28N2F2","","- C30 H28 F2 N2 -","- C30 H28 F2 N2 -","- C120 H112 F8 N8 -","4","1","","Seo, Hoe-Joo; Song, Myungkwan; Jin, Sung-Ho; Choi, Jung Hei; Yun, Seong-Jae; Kim, Young-Inn","Blue phosphorescent iridium(iii) complexes containing carbazole-functionalized phenylpyridine for organic light-emitting diodes: energy transfer from carbazolyl moieties to iridium(iii) cores","RSC Advances","2011","1","5","755","","10.1039/c1ra00140j","","","0.71073","MoKα","","0.036","0.0335","","","0.0784","0.0802","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238386","11.861","0.0016","15.811","0.002","17.483","0.002","84.901","0.002","73.443","0.002","80.682","0.002","3098.1","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H70 Cl Li N6 Ni3 O18 -","- C60 H70 Cl Li N6 Ni3 O18 -","- C120 H140 Cl2 Li2 N12 Ni6 O36 -","2","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.146","0.0524","","","0.0981","0.1349","","","","","","0.964","","","","has coordinates,has disorder","244157","2020-10-21","18:00:00",""
"7238387","15.934","0.003","14.92","0.002","18.255","0.003","90","","92.114","0.006","90","","4336.9","1.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 F6 N5 Ni2 O8 P -","- C40 H48 F6 N5 Ni2 O8 P -","- C160 H192 F24 N20 Ni8 O32 P4 -","4","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)–s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.0866","0.0436","","","0.1263","0.1546","","","","","","0.902","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238388","8.2","0.0006","21.5329","0.0014","14.1163","0.001","90","","104.627","0.003","90","","2411.7","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cl N2 Na Ni O9 -","- C21 H26 Cl N2 Na Ni O9 -","- C84 H104 Cl4 N8 Na4 Ni4 O36 -","4","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.1054","0.0478","","","0.127","0.1493","","","","","","1.075","","","","has coordinates","244157","2020-10-21","18:00:00",""
"7238389","18.056","0.003","19.572","0.003","18.29","0.003","90","","109.934","0.002","90","","6076.3","1.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 B N4 Na Ni2 O8 -","- C64 H64 B N4 Na Ni2 O8 -","- C256 H256 B4 N16 Na4 Ni8 O32 -","4","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)–s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.076","0.0452","","","0.1309","0.1483","","","","","","0.873","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238390","16.0343","0.0019","16.0435","0.0019","25.379","0.003","83.81","0.002","83.857","0.002","68.346","0.002","6016.6","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H64 B N4 Ni2 O8 Rb -","- C64 H64 B N4 Ni2 O8 Rb -","- C256 H256 B4 N16 Ni8 O32 Rb4 -","4","2","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)–s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.1184","0.048","","","0.0968","0.113","","","","","","0.901","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238391","13.56","0.0019","14.089","0.002","14.473","0.002","68.785","0.006","68.942","0.005","67.311","0.005","2299.2","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H47 Cl Cs N5 Ni2 O12 -","- C42 H47 Cl Cs N5 Ni2 O12 -","- C84 H94 Cl2 Cs2 N10 Ni4 O24 -","2","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)–s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.0769","0.0402","","","0.1191","0.154","","","","","","0.831","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238392","15.4418","0.0013","22.4552","0.0018","18.8479","0.0014","90","","94.555","0.002","90","","6514.8","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H66 Cl2 Mg N6 Ni3 O24 -","- C60 H66 Cl2 Mg N6 Ni3 O24 -","- C240 H264 Cl8 Mg4 N24 Ni12 O96 -","4","0.5","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.1042","0.0512","","","0.1356","0.1661","","","","","","0.934","","","","has coordinates","244157","2020-10-21","18:00:00",""
"7238393","16.101","0.005","13.981","0.005","13.162","0.004","90","","113.378","0.004","90","","2719.6","1.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Ca2 N8 Ni2 O23 -","- C40 H44 Ca2 N8 Ni2 O23 -","- C80 H88 Ca4 N16 Ni4 O46 -","2","0.5","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.0717","0.0514","","","0.1603","0.1705","","","","","","1.181","","","","has coordinates","244157","2020-10-21","18:00:00",""
"7238394","8.0768","0.0013","12.074","0.002","14.348","0.002","67.471","0.005","89.983","0.005","83.029","0.006","1281.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Cd N5 Ni O10 -","- C22 H25 Cd N5 Ni O10 -","- C44 H50 Cd2 N10 Ni2 O20 -","2","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)–s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.1169","0.0679","","","0.1724","0.1968","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238395","14.2881","0.0012","13.7472","0.0011","12.8579","0.001","90","","105.288","0.002","90","","2436.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 N8 Ni2 O20 Pb2 -","- C40 H44 N8 Ni2 O20 Pb2 -","- C80 H88 N16 Ni4 O40 Pb4 -","2","0.5","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.0643","0.0363","","","0.0929","0.111","","","","","","0.995","","","","has coordinates","244157","2020-10-21","18:00:00",""
"7238396","13.598","0.0005","4.7885","0.0002","14.5449","0.0008","90","","112.389","0.005","90","","875.69","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 Cu N2 O4 -","- C7 H8 Cu N2 O4 -","- C28 H32 Cu4 N8 O16 -","4","1","","Mobin, Shaikh M.; Srivastava, Ashwini K.; Mathur, Pradeep; Lahiri, Goutam Kumar","Varying structural motifs in oxyanions (NO3−, CO32−) and phenoxyacetate (PhOAc−) bridged coordination polymers derived from alkoxo-bridged dicopper building blocks with {Cu2O2} core","RSC Advances","2011","1","5","893","","10.1039/c1ra00155h","","","0.71073","MoKα","","0.0226","0.0199","","","0.0529","0.0539","","","","","","1.09","","","","has coordinates","244158","2020-10-21","18:00:00",""
"7238397","18.0701","0.0007","6.6051","0.0003","15.6456","0.0007","90","","104.807","0.004","90","","1805.37","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 Cu2 N2 O9 -","- C15 H24 Cu2 N2 O9 -","- C60 H96 Cu8 N8 O36 -","4","0.5","","Mobin, Shaikh M.; Srivastava, Ashwini K.; Mathur, Pradeep; Lahiri, Goutam Kumar","Varying structural motifs in oxyanions (NO3−, CO32−) and phenoxyacetate (PhOAc−) bridged coordination polymers derived from alkoxo-bridged dicopper building blocks with {Cu2O2} core","RSC Advances","2011","1","5","893","","10.1039/c1ra00155h","","","0.71073","MoKα","","0.0546","0.0412","","","0.0913","0.0972","","","","","","0.985","","","","has coordinates","244158","2020-10-21","18:00:00",""
"7238398","4.794","0.005","24.697","0.005","11.5","0.005","90","0.005","93.631","0.005","90","0.005","1358.8","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cu N O4 -","- C15 H15 Cu N O4 -","- C60 H60 Cu4 N4 O16 -","4","1","","Mobin, Shaikh M.; Srivastava, Ashwini K.; Mathur, Pradeep; Lahiri, Goutam Kumar","Varying structural motifs in oxyanions (NO3−, CO32−) and phenoxyacetate (PhOAc−) bridged coordination polymers derived from alkoxo-bridged dicopper building blocks with {Cu2O2} core","RSC Advances","2011","1","5","893","","10.1039/c1ra00155h","","","0.71073","MoKα","","0.0601","0.045","","","0.1118","0.1192","","","","","","1.098","","","","has coordinates","244158","2020-10-21","18:00:00",""
"7238399","5.7762","0.0008","9.6032","0.0013","28.672","0.004","90","","90","","90","","1590.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl2 N2 O4 -","- C13 H15 Cl2 N2 O4 -","- C52 H60 Cl8 N8 O16 -","4","1","","Mei, Haibo; Han, Jianlin; Li, Guigen; Pan, Yi","KOH-catalyzed highly efficient aminohalogenation of β-nitrostyrenes with t-butyl N,N-dichlorocarbamate as nitrogen/halogen source","RSC Advances","2011","1","3","429","","10.1039/c1ra00174d","","","0.71073","MoKα","","0.0546","0.0517","","","0.1346","0.1374","","","","","","1.079","","","","has coordinates","244159","2020-10-21","18:00:00",""
"7238400","19.367","0.004","10.729","0.002","19.82","0.004","90","","96.45","0.03","90","","4092.3","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 B F15 O3 -","- C18 H6 B F15 O3 -","- C144 H48 B8 F120 O24 -","8","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.0539","0.0387","","","0.0998","0.1059","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238401","9.384","0.007","16.395","0.011","22.826","0.014","90","","92.49","0.05","90","","3508","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Ag B F15 N O6 -","- C30 H30 Ag B F15 N O6 -","- C120 H120 Ag4 B4 F60 N4 O24 -","4","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.0595","0.0453","","","0.1089","0.116","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238402","10.381","0.003","10.673","0.003","10.849","0.003","65.507","0.017","85.51","0.02","75.68","0.02","1059.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H10 B F15 O -","- C22 H10 B F15 O -","- C44 H20 B2 F30 O2 -","2","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.0445","0.0382","","","0.1096","0.1143","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238403","9.285","0.004","30.031","0.009","10.049","0.004","90","","105.14","0.03","90","","2704.8","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 B F15 O3 -","- C26 H18 B F15 O3 -","- C104 H72 B4 F60 O12 -","4","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.09","0.0597","","","0.1708","0.1884","","","","","","1.079","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238404","14.309","0.005","22.551","0.009","24.2","0.008","102.53","0.03","98.78","0.03","100.4","0.03","7347","5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C61.28 H50.56 B2 Cl2.56 F30 K2 O16 S -","- C61.279 H50.558 B2 Cl2.558 F30 K2 O16 S -","- C245.116 H202.232 B8 Cl10.232 F120 K8 O64 S4 -","4","2","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.085","0.048","","","0.1229","0.1384","","","","","","1.092","","","","has coordinates,has disorder","244161","2020-10-21","18:00:00",""
"7238405","10.11","0.002","10.95","0.004","13.482","0.004","75.23","0.03","81.81","0.02","82.94","0.02","1422.6","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 B F15 O4 -","- C28 H20 B F15 O4 -","- C56 H40 B2 F30 O8 -","2","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.0575","0.0415","","","0.115","0.1235","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238406","13.0444","0.0005","14.1638","0.0006","16.826","0.0007","90","","90.394","0.002","90","","3108.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 B F15 K N O5 -","- C26 H20 B F15 K N O5 -","- C104 H80 B4 F60 K4 N4 O20 -","4","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.0672","0.0416","","","0.1143","0.1267","","","","","","1.08","","","","has coordinates,has disorder","244161","2020-10-21","18:00:00",""
"7238407","23.047","0.01","23.329","0.01","17.388","0.007","90","","95.974","0.013","90","","9298","7","84","2","84","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H39 B2 F8 Fe N12 O1.5 -","- C42 H39 B2 F8 Fe N12 O1.5 -","- C336 H312 B16 F64 Fe8 N96 O12 -","8","1","","Olguín, Juan; Jameson, Guy N. L.; Brooker, Sally","Two mononuclear iron(ii) complexes of 4-phenylpyrazole-5-carbaldehyde derived ligands are stabilised in different spin states","RSC Advances","2011","1","1","52","","10.1039/c1ra00190f","","","0.71073","MoKα","","0.2899","0.1208","","","0.3067","0.396","","","","","","1.026","","","","has coordinates,has disorder","244162","2020-10-21","18:00:00",""
"7238408","8.587","0.005","18.369","0.005","12.335","0.005","90","0.005","92.329","0.005","90","0.005","1944","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-chlorophenyl)(1,2,3,5-tetrahydro-5-(4-methoxyphenyl) -6-nitroimidazo[1,2-a]pyridin-8-yl)methanone","(4-chlorophenyl)(1,2,3,5-tetrahydro-5-(4-methoxyphenyl) -6-nitroimidazo[1,2-a]pyridin-8-yl)methanone","","- C21 H18 Cl N3 O4 -","- C21 H18 Cl N3 O4 -","- C84 H72 Cl4 N12 O16 -","4","1","","Yu, Fuchao; Yan, Shengjiao; Huang, Rong; Tang, Yajuan; Lin, Jun","Three-component solvent-free synthesis of highly substituted tetra-hydroimidazo[1,2-a]pyridines","RSC Advances","2011","1","4","596","","10.1039/c1ra00242b","","","0.71073","MoKα","","0.1427","0.0479","","","0.1085","0.145","","","","","","0.937","","","","has coordinates","244163","2020-10-21","18:00:00",""
"7238409","27.703","0.008","5.8189","0.0016","12.466","0.003","90","","103.008","0.005","90","","1958","0.9","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 Br O2 P -","- C21 H20 Br O2 P -","- C84 H80 Br4 O8 P4 -","4","1","","Luo, Xiaoyan; Zhou, Zhiqiang; Li, Xin; Liang, Xinmiao; Ye, Jinxing","Enantioselective organocatalytic phospha-Michael reaction of α,β-unsaturated aldehydes","RSC Advances","2011","1","4","698","","10.1039/c1ra00269d","","","0.71073","MoKα","","0.1013","0.0681","","","0.1598","0.1837","","","","","","0.971","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238410","8.14","0.002","8.211","0.002","18.95","0.003","90","","90","","90","","1266.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(1<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-5-iodo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 I O2 -","- C12 H19 I O2 -","- C48 H76 I4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0171","0.0166","","","0.0419","0.042","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238411","8.14","0.002","8.21","0.002","18.954","0.003","90","","90","","90","","1266.7","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(1<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-iodo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 I O2 -","- C12 H19 I O2 -","- C48 H76 I4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0157","0.0154","","","0.038","0.0381","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238412","9.69","0.002","11.404","0.002","12.212","0.003","79.09","0.04","84.2","0.03","86.93","0.03","1317.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(+/-)-<i>c</i>-5-iodo-<i>t</i>-4-isopropyl-<i>r</i> -1-methyl-7-oxa-<i>cis</i>-bicyclo[4.3.0]nonan-8-one","","- C12 H19 I O2 -","- C12 H19 I O2 -","- C48 H76 I4 O8 -","4","2","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0272","0.0218","","","0.0514","0.0526","","","","","","1.091","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238413","7.951","0.002","8.165","0.002","19.191","0.003","90","","90","","90","","1245.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(1<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-5-bromo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 Br O2 -","- C12 H19 Br O2 -","- C48 H76 Br4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.027","0.0239","","","0.0565","0.0573","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238414","7.954","0.002","8.158","0.002","19.177","0.004","90","","90","","90","","1244.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(1<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-bromo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 Br O2 -","- C12 H19 Br O2 -","- C48 H76 Br4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0758","0.0489","","","0.0583","0.0627","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238415","17.517","0.003","10.774","0.002","6.906","0.002","90","","97.6","0.03","90","","1291.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)-<i>c</i>-5-iodo-<i>c</i>-4-isopropyl-<i>r</i> -1-methyl-7-oxa-<i>cis</i>-bicyclo[4.3.0]nonan-8-one","","- C12 H19 I O2 -","- C12 H19 I O2 -","- C48 H76 I4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0435","0.039","","","0.1035","0.1058","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238416","17.359","0.003","10.889","0.002","6.611","0.002","90","","99.36","0.03","90","","1233","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)-<i>c</i>-5-bromo-<i>c</i>-4-isopropyl-<i>r</i> -1-methyl-7-oxa-<i>cis</i>-bicyclo[4.3.0]nonan-8-one","","- C12 H19 Br O2 -","- C12 H19 Br O2 -","- C48 H76 Br4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0338","0.0234","","","0.0557","0.0577","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238417","6.566","0.002","10.89","0.003","33.558","0.004","90","","90.6","0.03","90","","2399.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)-<i>c</i>-5-chloro-<i>c</i>-4-isopropyl-<i>r</i>-1-methyl-7 -oxa-<i>cis</i>-bicyclo[4.3.0]nonan-8-one","","- C12 H19 Cl O2 -","- C12 H19 Cl O2 -","- C96 H152 Cl8 O16 -","8","2","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0467","0.0368","","","0.0912","0.0944","","","","","","1.083","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238418","14.9136","0.0007","9.0945","0.0005","18.616","0.0009","90","","98.612","0.002","90","","2496.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F6 N4 O2 S -","- C24 H24 F6 N4 O2 S -","- C96 H96 F24 N16 O8 S4 -","4","1","","Jamir, Latonglila; Khatun, Nilufa; Patel, Bhisma K.","The oxidative cleavage of an anti-Hugerschoff product: a mild environmentally benign one pot synthesis of ureas from isothiocyanates","RSC Advances","2011","1","3","447","","10.1039/c1ra00278c","","","0.71073","MoKα","","0.0916","0.0709","","","0.2116","0.2336","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238419","8.0909","0.0003","15.7683","0.0006","8.4586","0.0003","90","","104.174","0.002","90","","1046.29","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Jamir, Latonglila; Khatun, Nilufa; Patel, Bhisma K.","The oxidative cleavage of an anti-Hugerschoff product: a mild environmentally benign one pot synthesis of ureas from isothiocyanates","RSC Advances","2011","1","3","447","","10.1039/c1ra00278c","","","0.71073","MoKα","","0.0603","0.0381","","","0.0946","0.1018","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238420","17.303","0.006","9.051","0.003","43.048","0.016","90","","95.68","0.003","90","","6709","4","150","","150","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C64 H76 Cl2 N6 O16 -","- C64 H76 Cl2 N6 O16 -","- C256 H304 Cl8 N24 O64 -","4","1","","Evans, Nicholas H.; Allinson, Emma S. H.; Lankshear, Michael D.; Ng, Ka-Yuen; Cowley, Andrew R.; Serpell, Christopher J.; Santos, Sérgio M.; Costa, Paulo J.; Félix, Vítor; Beer, Paul D.","Anion templated assembly of [2]catenanes capable of chloride anion recognition in aqueous solvent media","RSC Advances","2011","1","6","995","","10.1039/c1ra00394a","","","0.6889","Synchrotron","","0.1401","0.1122","","0.2862","0.2568","0.2862","","","","","","0.9782","","","","has coordinates","244167","2020-10-21","18:00:00",""
"7238421","30.0276","0.0003","23.8378","0.0003","8.9679","0.0002","90","","90","","90","","6419.15","0.18","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P n a 21","P 2c -2n","33","","","","- C64 H76 Cl F6 N6 O16 P -","- C64 H76 Cl F6 N6 O16 P -","- C256 H304 Cl4 F24 N24 O64 P4 -","4","1","","Evans, Nicholas H.; Allinson, Emma S. H.; Lankshear, Michael D.; Ng, Ka-Yuen; Cowley, Andrew R.; Serpell, Christopher J.; Santos, Sérgio M.; Costa, Paulo J.; Félix, Vítor; Beer, Paul D.","Anion templated assembly of [2]catenanes capable of chloride anion recognition in aqueous solvent media","RSC Advances","2011","1","6","995","","10.1039/c1ra00394a","","","0.71073","MoKα","","0.0702","0.0407","","0.0664","0.0459","0.0459","","","","","","1.1343","","","","has coordinates","244167","2020-10-21","18:00:00",""
"7238422","19.6106","0.0004","19.6106","0.0004","31.5616","0.0008","90","","90","","120","","10511.7","0.4","150","","150","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C96 H131 N9 O40 S2 -","- C96 H131 N9 O39.5552 S2 -","- C384 H524 N36 O158.221 S8 -","4","0.333333","","Evans, Nicholas H.; Allinson, Emma S. H.; Lankshear, Michael D.; Ng, Ka-Yuen; Cowley, Andrew R.; Serpell, Christopher J.; Santos, Sérgio M.; Costa, Paulo J.; Félix, Vítor; Beer, Paul D.","Anion templated assembly of [2]catenanes capable of chloride anion recognition in aqueous solvent media","RSC Advances","2011","1","6","995","","10.1039/c1ra00394a","","","0.6889","Synchrotron","","0.1488","0.1447","","0.3538","0.3511","0.3538","","","","","","0.979","","","","has coordinates,has disorder","244167","2020-10-21","18:00:00",""
"7238425","17.9609","0.0005","7.74529","0.00016","23.9193","0.0007","90","","112.645","0.003","90","","3070.95","0.15","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cl2 N O2 Te -","- C14 H15 Cl2 N O2 Te -","- C112 H120 Cl16 N8 O16 Te8 -","8","1","","Misra, Shafalika; Chauhan, Ashok K. S.; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Controlled hydrolysis of aryltellurium trichlorides using 2-pyrrolidinones: isolation and structural characterization of monomeric aryltellurium(IV) monohydroxides","RSC Advances","2011","1","5","808","","10.1039/c1ra00409c","","","0.71073","MoKα","","0.0202","0.0189","","","0.0442","0.0446","","","","","","1.239","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238426","13.6291","0.0004","6.878","0.0003","19.3019","0.0007","90","","109.336","0.004","90","","1707.32","0.12","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl2 N O2 Te -","- C13 H19 Cl2 N O2 Te -","- C52 H76 Cl8 N4 O8 Te4 -","4","1","","Misra, Shafalika; Chauhan, Ashok K. S.; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Controlled hydrolysis of aryltellurium trichlorides using 2-pyrrolidinones: isolation and structural characterization of monomeric aryltellurium(IV) monohydroxides","RSC Advances","2011","1","5","808","","10.1039/c1ra00409c","","","0.71073","MoKα","","0.1106","0.0438","","","0.1062","0.1234","","","","","","0.91","","","","has coordinates,has disorder","244169","2020-10-21","18:00:00",""
"7238427","20.3174","0.0008","7.3678","0.0003","17.7571","0.0008","90","","115.656","0.005","90","","2396.1","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br6 Te2 -","- C20 H14 Br6 Te2 -","- C80 H56 Br24 Te8 -","4","1","","Misra, Shafalika; Chauhan, Ashok K. S.; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Controlled hydrolysis of aryltellurium trichlorides using 2-pyrrolidinones: isolation and structural characterization of monomeric aryltellurium(IV) monohydroxides","RSC Advances","2011","1","5","808","","10.1039/c1ra00409c","","","0.71073","MoKα","","0.0963","0.0686","","","0.1748","0.1942","","","","","","1.033","","","","has coordinates","244169","2020-10-21","18:00:00",""
"7238428","10.0476","0.0004","10.8133","0.0003","11.8837","0.0005","91.27","0.003","112.652","0.004","95.227","0.003","1184.28","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 Cl4 N2 O2 Te -","- C20 H25 Cl4 N2 O2 Te -","- C40 H50 Cl8 N4 O4 Te2 -","2","1","","Misra, Shafalika; Chauhan, Ashok K. S.; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Controlled hydrolysis of aryltellurium trichlorides using 2-pyrrolidinones: isolation and structural characterization of monomeric aryltellurium(IV) monohydroxides","RSC Advances","2011","1","5","808","","10.1039/c1ra00409c","","","0.71073","MoKα","","0.0364","0.0249","","","0.054","0.0564","","","","","","1.005","","","","has coordinates,has disorder","244169","2020-10-21","18:00:00",""
"7238429","28.4093","0.001","9.5781","0.0002","13.1483","0.0004","90","","112.596","0.004","90","","3303.11","0.19","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Br2 N2 O4 Te -","- C12 H16 Br2 N2 O4 Te -","- C96 H128 Br16 N16 O32 Te8 -","8","1","","Misra, Shafalika; Chauhan, Ashok K. S.; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Controlled hydrolysis of aryltellurium trichlorides using 2-pyrrolidinones: isolation and structural characterization of monomeric aryltellurium(IV) monohydroxides","RSC Advances","2011","1","5","808","","10.1039/c1ra00409c","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238431","7.437","0.015","6.48","0.013","10.87","0.02","90","","90.185","0.017","90","","523.8","1.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H7 Br N2 O4 -","- C9 H7 Br N2 O4 -","- C18 H14 Br2 N4 O8 -","2","1","","Zhang, Yong; Jun Li, Zhi; Sen Xu, Hai; Zhang, Yuan; Wang, Wei","Organocatalytic asymmetric Henry reaction of isatins: Highly enantioselective synthesis of 3-hydroxy-2-oxindoles","RSC Advances","2011","1","3","389","","10.1039/c1ra00477h","","","0.71073","MoKα","","0.0776","0.0488","","","0.1074","0.1191","","","","","","0.981","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238432","9.707","0.005","10.54","0.006","15.245","0.008","98.505","0.008","103.665","0.007","101.424","0.007","1454.2","1.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H30 Cl2 O3 -","- C37 H30 Cl2 O3 -","- C74 H60 Cl4 O6 -","2","1","","Takaki, Ken; Shiraishi, Kazuhiro; Okinaga, Kosuke; Takahashi, Shintaro; Komeyama, Kimihiro","NHC-catalyzed reaction of enals with unactivated enones: substituent effect on the formation of 1 : 1 and 1 : 2 adducts","RSC Advances","2011","1","9","1799","","10.1039/c1ra00482d","","","0.71073","MoKα","","0.0713","0.0546","","","0.1522","0.1623","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238433","9.3438","0.0006","17.6011","0.0012","10.3662","0.0008","90","","118.673","0.002","90","","1495.78","0.18","200.1","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Takaki, Ken; Shiraishi, Kazuhiro; Okinaga, Kosuke; Takahashi, Shintaro; Komeyama, Kimihiro","NHC-catalyzed reaction of enals with unactivated enones: substituent effect on the formation of 1 : 1 and 1 : 2 adducts","RSC Advances","2011","1","9","1799","","10.1039/c1ra00482d","","","0.71075","MoKα","","","0.0427","","","","0.0653","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238437","17.241","0.003","34.415","0.005","8.1449","0.0012","90","","90","","90","","4832.8","1.3","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H15 N3 -","- C12 H15 N3 -","- C192 H240 N48 -","16","1","","Zhan, Shun-Ze; Li, Mian; Zhou, Xiao-Ping; Li, Dan; Weng Ng, Seik","Excimer and exciplex formation in a pair of bright phosphorescent isomers constructed from Cu3(pyrazolate)3 and Cu3I3 coordination luminophores","RSC Advances","2011","1","8","1457","","10.1039/c1ra00566a","","","0.71073","MoKα","","0.1248","0.0611","","","0.1631","0.2047","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238438","13.6702","0.0002","17.3216","0.0003","17.4721","0.0002","84.649","0.001","79.662","0.001","77.636","0.001","3969.18","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H86 Cu9 I3 N18 O -","- C72 H86 Cu9 I3 N18 O -","- C144 H172 Cu18 I6 N36 O2 -","2","1","","Zhan, Shun-Ze; Li, Mian; Zhou, Xiao-Ping; Li, Dan; Weng Ng, Seik","Excimer and exciplex formation in a pair of bright phosphorescent isomers constructed from Cu3(pyrazolate)3 and Cu3I3 coordination luminophores","RSC Advances","2011","1","8","1457","","10.1039/c1ra00566a","","","0.71073","MoKα","","0.0806","0.0453","","","0.1117","0.138","","","","","","1.058","","","","has coordinates,has disorder","244174","2020-10-21","18:00:00",""
"7238439","14.6484","0.0003","14.7423","0.0005","21.7997","0.0004","90.488","0.002","100.351","0.002","117.859","0.003","4071.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 Cu9 I3 N18 -","- C72 H84 Cu9 I3 N18 -","- C144 H168 Cu18 I6 N36 -","2","1","","Zhan, Shun-Ze; Li, Mian; Zhou, Xiao-Ping; Li, Dan; Weng Ng, Seik","Excimer and exciplex formation in a pair of bright phosphorescent isomers constructed from Cu3(pyrazolate)3 and Cu3I3 coordination luminophores","RSC Advances","2011","1","8","1457","","10.1039/c1ra00566a","","","0.71073","MoKα","","0.0629","0.0415","","","0.083","0.0934","","","","","","1.085","","","","has coordinates","244174","2020-10-21","18:00:00",""
"7238440","11.116","0.003","11.742","0.004","18.141","0.006","108.857","0.004","99.704","0.005","100.613","0.005","2135.2","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 Cl N2 O P2 Rh -","- C53 H42 Cl N2 O P2 Rh -","- C106 H84 Cl2 N4 O2 P4 Rh2 -","2","1","","Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki","C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates","RSC Advances","2011","1","7","1279","","10.1039/c1ra00572c","","","0.71073","MoKα","","0.0712","0.0516","","","0.1077","0.1151","","","","","","1.048","","","","has coordinates","244175","2020-10-21","18:00:00",""
"7238441","11.8442","0.0002","11.9633","0.0003","17.3738","0.0004","72.165","0.001","70.511","0.001","79.475","0.001","2200.31","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 Cl N2 O P2 Rh -","- C53 H42 Cl N2 O P2 Rh -","- C106 H84 Cl2 N4 O2 P4 Rh2 -","2","1","","Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki","C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates","RSC Advances","2011","1","7","1279","","10.1039/c1ra00572c","","","0.71073","MoKα","","0.0489","0.0301","","","0.0548","0.0619","","","","","","1.009","","","","has coordinates","244175","2020-10-21","18:00:00",""
"7238442","17.5179","0.0002","16.3586","0.0001","18.225","","90","","109.979","0.001","90","","4908.39","0.07","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H44 Cl3 N2 O P2 Rh -","- C57 H44 Cl3 N2 O P2 Rh -","- C228 H176 Cl12 N8 O4 P8 Rh4 -","4","1","","Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki","C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates","RSC Advances","2011","1","7","1279","","10.1039/c1ra00572c","","","0.71073","MoKα","","0.0844","0.0459","","","0.1062","0.1264","","","","","","0.991","","","","has coordinates","244175","2020-10-21","18:00:00",""
"7238443","11.905","0.003","17.478","0.004","22.043","0.005","90","","95.527","0.004","90","","4565.3","1.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 Cl N2 O P2 Rh -","- C56 H42 Cl N2 O P2 Rh -","- C224 H168 Cl4 N8 O4 P8 Rh4 -","4","1","","Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki","C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates","RSC Advances","2011","1","7","1279","","10.1039/c1ra00572c","","","0.71073","MoKα","","0.0999","0.0967","","","0.1962","0.1981","","","","","","1.172","","","","has coordinates","244175","2020-10-21","18:00:00",""
"7238444","24.4771","0.0003","9.2446","0.0002","21.6235","0.0001","90","","116.365","0.001","90","","4384.03","0.12","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H42 Cl N2 O P2 Rh -","- C53 H42 Cl N2 O P2 Rh -","- C212 H168 Cl4 N8 O4 P8 Rh4 -","4","0.5","","Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki","C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates","RSC Advances","2011","1","7","1279","","10.1039/c1ra00572c","","","0.71073","MoKα","","0.0372","0.0277","","","0.0644","0.0684","","","","","","1.048","","","","has coordinates,has disorder","244175","2020-10-21","18:00:00",""
"7238449","9.8648","0.0009","29.44","0.002","13.921","0.0013","90","","94.89","0.002","90","","4028.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co N14 O4 -","- C40 H34 Co N14 O4 -","- C160 H136 Co4 N56 O16 -","4","1","","Hu, Tuoping; Zhao, Xiaoliang; Hu, Xiaoqin; Xu, Yumin; Sun, Di; Sun, Daofeng","Two novel isomeric organic anion-water aggregations: 1D tape and 3D 2-fold interpenetrated diamond network","RSC Advances","2011","1","9","1682","","10.1039/c1ra00695a","","","0.71073","MoKα","","0.0681","0.0423","","","0.0918","0.104","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238450","16.2028","0.0003","16.2028","0.0003","24.4818","0.0009","90","","90","","90","","6427.2","0.3","173","2","173","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C30 H26 Co N12 O4 -","- C30 H26 Co N12 O4 -","- C240 H208 Co8 N96 O32 -","8","0.5","","Hu, Tuoping; Zhao, Xiaoliang; Hu, Xiaoqin; Xu, Yumin; Sun, Di; Sun, Daofeng","Two novel isomeric organic anion-water aggregations: 1D tape and 3D 2-fold interpenetrated diamond network","RSC Advances","2011","1","9","1682","","10.1039/c1ra00695a","","","0.71073","MoKα","","0.0799","0.0372","","","0.0743","0.0891","","","","","","0.988","","","","has coordinates","244179","2020-10-21","18:00:00",""
"7238819","28.72","0.003","15.8481","0.0011","14.2792","0.001","90","","100.32","0.003","90","","6394.1","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 In4 N8 Te6 -","- C12 H36 In4 N8 Te6 -","- C96 H288 In32 N64 Te48 -","8","1","","Zhang, Ruibo; Emge, Thomas J.; Zheng, Chong; Li, Jing","The first single-sized (∼1 nm) and periodically ordered array of In2Te3semiconductor quantum dots self-assembled in solution","J. Mater. Chem. A","2013","1","2","199","","10.1039/C2TA00050D","","","0.71073","MoKα","","0.0811","0.0514","","","0.1225","0.1366","","","","","","1.008","","","","has coordinates,has disorder","244384","2020-10-21","18:00:00",""
"7238820","21.5221","0.0015","21.5221","0.0015","66.232","0.008","90","","90","","120","","26569","4","160","2","160","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C52 H33 Cd6 N7 O30 -","- C52 H29 Cd6 N7 O30 -","- C468 H261 Cd54 N63 O270 -","9","0.5","","Li, Yun-Wu; Li, Jian-Rong; Wang, Li-Fu; Zhou, Bo-Yu; Chen, Qiang; Bu, Xian-He","Microporous metal‒organic frameworks with open metal sites as sorbents for selective gas adsorption and fluorescence sensors for metal ions","J. Mater. Chem. A","2013","1","3","495","","10.1039/C2TA00635A","","","0.71073","MoKα","","0.0402","0.0387","","","0.0855","0.0861","","","","","","0.956","","","","has coordinates,has disorder","244385","2020-10-21","18:00:00",""
"7238821","22.045","0.003","22.045","0.003","22.495","0.005","90","","90","","90","","10932","3","386","2","386","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H10 N3 O13 Zn3 -","- C24 H10 N3 O13 Zn3 -","- C192 H80 N24 O104 Zn24 -","8","0.5","","Li, Yun-Wu; Li, Jian-Rong; Wang, Li-Fu; Zhou, Bo-Yu; Chen, Qiang; Bu, Xian-He","Microporous metal‒organic frameworks with open metal sites as sorbents for selective gas adsorption and fluorescence sensors for metal ions","J. Mater. Chem. A","2013","1","3","495","","10.1039/C2TA00635A","","","0.71073","MoKα","","0.0596","0.0461","","","0.1245","0.1316","","","","","","1.045","","","","has coordinates,has disorder","244385","2020-10-21","18:00:00",""
"7238822","18.5676","0.0007","18.5676","0.0007","52.205","0.003","90","","90","","120","","15586.7","1.2","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C18 H7 Cl Cu N0 O6 -","- C18 H7 Cl Cu O6 -","- C324 H126 Cl18 Cu18 O108 -","18","1","","He, Yabing; Xiang, Shengchang; Zhang, Zhangjing; Xiong, Shunshun; Wu, Chuande; Zhou, Wei; Yildirim, Taner; Krishna, Rajamani; Chen, Banglin","A microporous metal‒organic framework assembled from an aromatic tetracarboxylate for H2 purification","Journal of Materials Chemistry A","2013","1","7","2543","","10.1039/c2ta01260j","","","1.54178","CuKα","","0.0962","0.0715","","","0.1895","0.2237","","","","","","0.975","","","","has coordinates","244386","2020-10-21","18:00:00",""
"7238823","8.7709","0.0012","5.7826","0.0008","13.318","0.0018","90","","98.504","0.006","90","","668.04","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H3 N5 O3 -","- C4 H3 N5 O3 -","- C16 H12 N20 O12 -","4","1","","He, Chunlin; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","4-Chloro-3,5-dinitropyrazole: a precursor for promising insensitive energetic compounds","Journal of Materials Chemistry A","2013","1","8","2863","","10.1039/c2ta01359b","","","0.71073","MoKα","","0.0989","0.0422","","","0.0848","0.1037","","","","","","1.022","","","","has coordinates","244387","2020-10-21","18:00:00",""
"7238824","6.4359","0.0004","12.7184","0.0007","15.8769","0.001","90","","90","","90","","1299.59","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-dinitro-1H-pyrazole-1,4-diamine","","- C3 H4 N6 O4 -","- C3 H4 N6 O4 -","- C24 H32 N48 O32 -","8","1","","He, Chunlin; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","4-Chloro-3,5-dinitropyrazole: a precursor for promising insensitive energetic compounds","Journal of Materials Chemistry A","2013","1","8","2863","","10.1039/c2ta01359b","","","0.71073","MoKα","","0.0304","0.0286","","","0.0768","0.0784","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239491","6.2395","0.0001","3.9925","0.0001","40.3716","0.0007","90","","90.8189","0.0012","90","","1005.6","0.03","100","","90","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O2 S4 -","- C7 H7 N O2 S4 -","- C28 H28 N4 O8 S16 -","4","1","","Kobayashi, Yuka; Fujii, Takenori; Terasaki, Ichiro; Kino, Hiori; Jin, Yongcheng; Hibino, Takashi; Kobayashi, Tetsuya; Nishibori, Eiji; Sawa, Hiroshi; Yoshikawa, Hideki; Terauchi, Takeshi; Sumi, Satoshi","Room-temperature proton transport and its effect on thermopower in a solid ionic semiconductor, TTFCOONH4","Journal of Materials Chemistry A","2013","1","16","5089","","10.1039/c3ta00011g","powder diffraction","","0.9468","synchrotron","","","","","","","","","0.058","","","","","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239492","29.0739","0.001","14.5356","0.0005","13.5095","0.0005","90","","100.097","0.005","90","","5620.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 La N3 O8 -","- C22 H20 La N3 O8 -","- C176 H160 La8 N24 O64 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0526","0.0473","","","0.1438","0.1485","","","","","","1.084","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239493","29.0489","0.0012","14.5685","0.0006","13.5097","0.0007","90","","100.119","0.005","90","","5628.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Ce N3 O8 -","- C22 H20 Ce N3 O8 -","- C176 H160 Ce8 N24 O64 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0723","0.0575","","","0.1493","0.1567","","","","","","1.069","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239494","33.657","0.002","14.2909","0.0005","12.8304","0.0009","90","","124.037","0.009","90","","5114","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Ce N O9 -","- C19 H14 Ce N O9 -","- C152 H112 Ce8 N8 O72 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0471","0.0409","","","0.1238","0.1283","","","","","","1.09","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239495","28.667","0.004","14.9105","0.0018","12.013","0.002","90","","106.274","0.015","90","","4929.1","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H47 Ce4 N4 O32 -","- C69 H47 Ce4 N4 O32 -","- C138 H94 Ce8 N8 O64 -","2","0.25","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","1.54184","CuKα","","0.0623","0.0576","","","0.1666","0.1718","","","","","","1.151","","","","has coordinates,has disorder","244734","2020-10-21","18:00:00",""
"7239496","28.877","0.002","14.3145","0.0009","13.6347","0.0014","90","","99.644","0.009","90","","5556.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N3 O8 Pr -","- C22 H20 N3 O8 Pr -","- C176 H160 N24 O64 Pr8 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0889","0.0674","","","0.2086","0.228","","","","","","1.15","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239497","28.8085","0.001","14.314","0.0007","13.5515","0.0006","90","","99.776","0.004","90","","5507","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 N5 O16 Sm2 -","- C41 H34 N5 O16 Sm2 -","- C164 H136 N20 O64 Sm8 -","4","0.5","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0609","0.0461","","","0.1334","0.1414","","","","","","1.109","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239498","29.255","0.002","12.699","0.0019","14.2602","0.001","90","","97.522","0.008","90","","5252.2","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Eu N2 O8 -","- C19 H14 Eu N2 O8 -","- C152 H112 Eu8 N16 O64 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","1.54184","CuKα","","0.0842","0.0718","","","0.2025","0.2199","","","","","","1.098","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239499","28.747","0.002","14.4478","0.001","13.3233","0.0008","90","","99.76","0.007","90","","5453.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H68 Gd4 N10 O32 -","- C82 H68 Gd4 N10 O32 -","- C164 H136 Gd8 N20 O64 -","2","0.25","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","1.54184","CuKα","","0.0877","0.075","","","0.2065","0.2199","","","","","","1.066","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239500","29.157","0.002","13.0903","0.0012","13.9533","0.0009","90","","97.576","0.006","90","","5279.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 N2 O8 Tb -","- C19 H14 N2 O8 Tb -","- C152 H112 N16 O64 Tb8 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0649","0.0445","","","0.1133","0.121","","","","","","0.958","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239501","28.7897","0.0008","13.9077","0.0007","13.6093","0.0005","90","","99.074","0.003","90","","5381","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Dy N2 O8 -","- C19 H13 Dy N2 O8 -","- C152 H104 Dy8 N16 O64 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.099","0.0855","","","0.266","0.2738","","","","","","1.134","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239502","28.6752","0.0016","14.354","0.0007","13.3467","0.001","90","","99.65","0.006","90","","5415.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H68 Ho4 N10 O32 -","- C82 H64 Ho4 N10 O32 -","- C164 H128 Ho8 N20 O64 -","2","0.25","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0925","0.0864","","","0.2292","0.2318","","","","","","1.031","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239503","12.262","0.004","13.572","0.005","24.934","0.009","90","","90","","90","","4150","3","296","2","296","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C41 H40 In2 N2 O22 -","- C41 H35 In2 N2 O22 -","- C82 H70 In4 N4 O44 -","2","0.5","","Xue, Yun-Shan; He, Yabing; Zhou, Lian; Chen, Fei-Jian; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng; Chen, Banglin","A photoluminescent microporous metal organic anionic framework for nitroaromatic explosive sensing","Journal of Materials Chemistry A","2013","1","14","4525","","10.1039/c3ta01118f","","","0.71073","MoKα","","0.1404","0.0992","","","0.2645","0.2949","","","","","","1.034","","","","has coordinates","244735","2020-10-21","18:00:00",""
"7239504","48.197","0.01","17.145","0.003","27.248","0.005","90","","117.37","0.03","90","","19996","9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H114 Cl2 N42 O8 Zn9 -","- C128 H114 Cl2 N42 O8 Zn9 -","- C512 H456 Cl8 N168 O32 Zn36 -","4","0.5","","Li, Yun-Wu; He, Kun-Huan; Bu, Xian-He","Bottom-up assembly of a porous MOF based on nanosized nonanuclear zinc precursors for highly selective gas adsorption","Journal of Materials Chemistry A","2013","1","13","4186","","10.1039/c3ta01322g","","","0.71073","MoKα","","0.1141","0.0647","","","0.1609","0.1834","","","","","","1.001","","","","has coordinates,has disorder","244736","2020-10-21","18:00:00",""
"7239505","9.0217","0.0019","10.1","0.002","10.108","0.002","78.436","0.009","73.667","0.007","79.609","0.009","858.4","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Fe N2 O4 -","- C18 H12 Fe N2 O4 -","- C36 H24 Fe2 N4 O8 -","2","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.065","0.0533","","","0.1545","0.1709","","","","","","1.104","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239506","10.064","0.003","11.475","0.003","15.916","0.005","90","","103.182","0.005","90","","1789.6","0.9","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H12 Fe N2 O4 -","- C18 H12 Fe N2 O4 -","- C72 H48 Fe4 N8 O16 -","4","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.1087","0.0987","","","0.2965","0.3074","","","","","","1.161","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239507","10.23","0.014","11.58","0.015","17.68","0.02","90","","98.09","0.02","90","","2074","5","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H12 Fe I2.5 N2 O4 -","- C18 H12 Fe I2.5 N2 O4 -","- C72 H48 Fe4 I10 N8 O16 -","4","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.2631","0.1548","","","0.3527","0.4283","","","","","","1.116","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239508","10.11","0.003","11.484","0.004","15.735","0.005","90","","105.542","0.004","90","","1760.1","1","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C37 H29 Fe2 N7 O9 -","- C37 H29 Fe2 N7 O9 -","- C74 H58 Fe4 N14 O18 -","2","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.0874","0.0828","","","0.2583","0.2659","","","","","","1.887","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239509","10.187","0.011","10.273","0.01","10.759","0.009","66.69","0.03","77.57","0.04","81.17","0.04","1006.9","1.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Fe N4 O6 -","- C18 H11 Fe N3 O6 -","- C36 H22 Fe2 N6 O12 -","2","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.1158","0.0953","","","0.2804","0.3096","","","","","","1.062","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239510","10.034","0.003","10.25","0.003","10.487","0.003","67.006","0.017","75.61","0.02","77.56","0.02","953.2","0.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Fe N2 O6 -","- C19 H11 Fe N2 O5 -","- C38 H22 Fe2 N4 O10 -","2","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.0942","0.0812","","","0.2482","0.2596","","","","","","1.155","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239511","9.11","0.0003","10.3806","0.0007","16.1429","0.001","82.065","0.013","77.497","0.009","82.299","0.013","1467.53","0.16","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C58 H58 Cu4 N12 O16 -","- C58 H58 Cu4 N12 O16 -","- C58 H58 Cu4 N12 O16 -","1","1","","Bai, Songyan; Sheng, Tianlu; Tan, Chunhong; Zhu, Qilong; Huang, Yihui; Jiang, Hao; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Distinct anion sensing by a 2D self-assembled Cu(ι)-based metal‒organic polymer with versatile visual colorimetric responses and efficient selective separations via anion exchange","Journal of Materials Chemistry A","2013","1","9","2970","","10.1039/c3ta01580g","","","0.71073","MoKα","","0.0463","0.0378","","","0.0915","0.0969","","","","","","1.032","","","","has coordinates","244738","2020-10-21","18:00:00",""
"7239512","4.9619","0.0004","13.106","0.0014","12.2014","0.0009","90","","91.684","0.006","90","","793.12","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","","Gong, Wei-tao; Gao, Bei; Zhao, Jian-zhang; Ning, Gui-ling","Rational design of a reusable chemodosimeter for the selective detection of Hg2+","Journal of Materials Chemistry A","2013","1","18","5501","","10.1039/c3ta10412e","","","0.71073","MoKα","","0.0584","0.0439","","","0.1161","0.1252","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239513","23.616","0.003","23.616","0.003","6.9313","0.0015","90","","90","","90","","3865.7","1.1","296","2","296","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C19 H18 Cl Hg N O3 -","- C19 H4 Cl Hg N O3 -","- C152 H32 Cl8 Hg8 N8 O24 -","8","0.5","","Gong, Wei-tao; Gao, Bei; Zhao, Jian-zhang; Ning, Gui-ling","Rational design of a reusable chemodosimeter for the selective detection of Hg2+","Journal of Materials Chemistry A","2013","1","18","5501","","10.1039/c3ta10412e","","","0.71073","MoKα","","0.0825","0.0436","","","0.1004","0.1107","","","","","","1.123","","","","has coordinates","244739","2020-10-21","18:00:00",""
"7239514","6.463","0.005","6.953","0.006","7.081","0.006","84.521","0.008","73.66","0.007","76.135","0.008","296.3","0.4","294","2","294","2","","","","","","","","6","P 1","P 1","1","","","","- C4 H12 B K O12 Sr -","- C4 H12 B K O12 Sr -","- C4 H12 B K O12 Sr -","1","1","","Fan, Xiaoyun; Pan, Shilie; Guo, Jing; Hou, Xueling; Han, Jian; Zhang, Fangfang; Li, Feng; Poeppelmeier, Kenneth R.","New tartratoborates: synthesis, structure, and characterization of non-centrosymmetric ASr[C4H2O6B(OH)2]·4H2O (A = K+, Rb+)","Journal of Materials Chemistry A","2013","1","35","10389","","10.1039/c3ta10474e","","","0.71073","MoKα","","0.0266","0.0266","","","0.0674","0.0675","","","","","","1.035","","","","has coordinates","244740","2020-10-21","18:00:00",""
"7239515","6.4606","0.0011","7.0808","0.0012","7.1089","0.0012","84.753","0.002","77.266","0.002","73.183","0.002","303.51","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C4 H12 B O12 Rb Sr -","- C4 H12 B O12 Rb Sr -","- C4 H12 B O12 Rb Sr -","1","1","","Fan, Xiaoyun; Pan, Shilie; Guo, Jing; Hou, Xueling; Han, Jian; Zhang, Fangfang; Li, Feng; Poeppelmeier, Kenneth R.","New tartratoborates: synthesis, structure, and characterization of non-centrosymmetric ASr[C4H2O6B(OH)2]·4H2O (A = K+, Rb+)","Journal of Materials Chemistry A","2013","1","35","10389","","10.1039/c3ta10474e","","","0.71073","MoKα","","0.0245","0.0231","","","0.0556","0.0563","","","","","","0.712","","","","has coordinates","244740","2020-10-21","18:00:00",""
"7239516","15.6464","0.0004","15.6464","0.0004","19.7878","0.0015","90","","90","","120","","4195.2","0.4","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C54 H60 N18 O42 P10 Zn9 -","- C54 H52 N18 O42 P10 Zn9 -","- C108 H104 N36 O84 P20 Zn18 -","2","0.333333","","Zhang, Jie; Yao, Zhenguo; Liao, Shijun; Dai, Jingcao; Fu, Zhiyong","A hybrid metal phosphate‒phosphite material grafted with electron deficient organic components showing interesting fluorescent and photosensitive properties","Journal of Materials Chemistry A","2013","1","16","4945","","10.1039/c3ta10478h","","","1.54178","CuKα","","0.0997","0.0951","","","0.2637","0.2727","","","","","","1.06","","","","has coordinates","244741","2020-10-21","18:00:00",""
"7239517","4.838","0.002","23.956","0.01","4.936","0.002","90","","107.152","0.006","90","","546.6","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C H5 Cl N6 -","- C H5 Cl N6 -","- C4 H20 Cl4 N24 -","4","1","","Lin, Qiu-Han; Li, Yu-Chuan; Qi, Cai; Liu, Wei; Wang, Yuan; Pang, Si-Ping","Nitrogen-rich salts based on 5-hydrazino-1H-tetrazole: a new family of high-density energetic materials","Journal of Materials Chemistry A","2013","1","23","6776","","10.1039/c3ta10503b","","","0.71073","MoKα","","0.0436","0.0334","","","0.077","0.0832","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239518","11.907","0.005","5.0089","0.0019","9.905","0.004","90","","90.211","0.006","90","","590.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H5 N7 O3 -","- C H5 N7 O3 -","- C4 H20 N28 O12 -","4","1","","Lin, Qiu-Han; Li, Yu-Chuan; Qi, Cai; Liu, Wei; Wang, Yuan; Pang, Si-Ping","Nitrogen-rich salts based on 5-hydrazino-1H-tetrazole: a new family of high-density energetic materials","Journal of Materials Chemistry A","2013","1","23","6776","","10.1039/c3ta10503b","","","0.71073","MoKα","","0.0421","0.0334","","","0.084","0.0881","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239519","7.108","0.002","7.3045","0.0019","8.78","0.002","68.351","0.007","86.953","0.011","80.308","0.01","417.64","0.19","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H5 N11 O2 -","- C2 H5 N11 O2 -","- C4 H10 N22 O4 -","2","1","","Lin, Qiu-Han; Li, Yu-Chuan; Qi, Cai; Liu, Wei; Wang, Yuan; Pang, Si-Ping","Nitrogen-rich salts based on 5-hydrazino-1H-tetrazole: a new family of high-density energetic materials","Journal of Materials Chemistry A","2013","1","23","6776","","10.1039/c3ta10503b","","","0.71073","MoKα","","0.0437","0.0354","","","0.0774","0.0809","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239520","7.762","0.002","9.4","0.003","17.653","0.005","90","","90","","90","","1288","0.6","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H5 Cl N6 O4 -","- C H5 Cl N6 O4 -","- C8 H40 Cl8 N48 O32 -","8","1","","Lin, Qiu-Han; Li, Yu-Chuan; Qi, Cai; Liu, Wei; Wang, Yuan; Pang, Si-Ping","Nitrogen-rich salts based on 5-hydrazino-1H-tetrazole: a new family of high-density energetic materials","Journal of Materials Chemistry A","2013","1","23","6776","","10.1039/c3ta10503b","","","0.71073","MoKα","","0.0395","0.0375","","","0.1077","0.1094","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239521","8.8362","0.0011","12.5804","0.0015","8.5551","0.001","90","","90","","90","","951","0.2","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H0 I3 N Pb -","- C I3 N Pb -","- C4 I12 N4 Pb4 -","4","0.5","","Baikie, Tom; Fang, Yanan; Kadro, Jeannette M.; Schreyer, Martin; Wei, Fengxia; Mhaisalkar, Subodh G.; Graetzel, Michael; White, Tim J.","Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications","Journal of Materials Chemistry A","2013","1","18","5628","","10.1039/c3ta10518k","","x-ray","0.71069","","","0.0657","0.0523","","0.1322","0.1299","","","","2.22","2.48","2.48","","","","","has coordinates","244743","2020-10-21","18:00:00",""
"7239522","9.5553","0.0004","9.639","0.0005","12.4046","0.0006","69.482","0.001","70.698","0.001","87.293","0.001","1006.83","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Cd3 F12 O16 -","- C28 H38 Cd3 F12 O16 -","- C28 H38 Cd3 F12 O16 -","1","0.5","","Mansoor, Muhammad Adil; Ehsan, Muhammad Ali; McKee, Vickie; Huang, Nay-Ming; Ebadi, Mehdi; Arifin, Zainudin; Basirun, Wan Jeffrey; Mazhar, Muhammad","Hexagonal structured Zn(1−x)CdxO solid solution thin films: synthesis, characterization and applications in photoelectrochemical water splitting","Journal of Materials Chemistry A","2013","1","17","5284","","10.1039/c3ta10558j","","","0.71073","MoKα","","0.0304","0.0266","","","0.0682","0.0704","","","","","","1.054","","","","has coordinates","244744","2020-10-21","18:00:00",""
"7239523","13.4641","0.0002","13.4641","0.0002","23.3751","0.0004","90","","90","","90","","4237.48","0.11","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H7 N O4 Zn -","- C13 H7 N O4 Zn -","- C104 H56 N8 O32 Zn8 -","8","1","","Liu, Bo; Li, Yuanpu; Hou, Lei; Yang, Guoping; Wang, Yao-Yu; Shi, Qi-Zhen","Dynamic Zn-based metal‒organic framework: stepwise adsorption, hysteretic desorption and selective carbon dioxide uptake","Journal of Materials Chemistry A","2013","1","22","6535","","10.1039/c3ta10918f","","","1.54178","CuKα","","0.0744","0.0736","","","0.2395","0.2402","","","","","","1.226","","","","has coordinates","244745","2020-10-21","18:00:00",""
"7239524","11.4215","0.0012","13.8731","0.0015","20.777","0.002","98.208","0.002","99.762","0.002","108.66","0.002","3004.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H42 Co3 N9 O23 -","- C60 H42 Co3 N9 O23 -","- C120 H84 Co6 N18 O46 -","2","1","","Meng, Fanli; Fang, Zhiguo; Li, Zuoxi; Xu, Weiwei; Wang, Mengjiao; Liu, Yanping; Zhang, Ji; Wang, Wanren; Zhao, Dongyuan; Guo, Xiaohui","Porous Co3O4 materials prepared by solid-state thermolysis of a novel Co-MOF crystal and their superior energy storage performances for supercapacitors","Journal of Materials Chemistry A","2013","1","24","7235","","10.1039/c3ta11054k","","","0.71073","MoKα","","0.0893","0.057","","","0.1493","0.1796","","","","","","0.978","","","","has coordinates","244746","2020-10-21","18:00:00",""
"7239525","27.3103","0.0001","27.3103","0.0001","27.3103","0.0001","90","","90","","90","","20369.5","0.13","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H132 Cu6 I6 N42 O12 -","- C156 H132 Cu6 I6 N42 O12 -","- C624 H528 Cu24 I24 N168 O48 -","4","0.166667","","Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework","Journal of Materials Chemistry A","2013","1","30","8575","","10.1039/c3ta11157a","","","1.54178","CuKα","","0.0407","0.0335","","","0.0816","0.0829","","","","","","1.021","","","","has coordinates","244747","2020-10-21","18:00:00",""
"7239526","27.6501","0.0003","27.6501","0.0003","27.6501","0.0003","90","","90","","90","","21139.3","0.4","153","2","153","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H132 Cu6 I13.5 N42 O12 -","- C156 H132 Cu6 I13.5 N42 O12 -","- C624 H528 Cu24 I54 N168 O48 -","4","0.166667","","Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework","Journal of Materials Chemistry A","2013","1","30","8575","","10.1039/c3ta11157a","","","1.54178","CuKα","","0.1532","0.1299","","","0.2826","0.2882","","","","","","1.375","","","","has coordinates","244747","2020-10-21","18:00:00",""
"7239527","27.627","0.0002","27.627","0.0002","27.627","0.0002","90","","90","","90","","21086.3","0.3","153","2","153","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H132 Cu6 I9 N42 O12 -","- C156 H132 Cu6 I9 N42 O12 -","- C624 H528 Cu24 I36 N168 O48 -","4","0.166667","","Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework","Journal of Materials Chemistry A","2013","1","30","8575","","10.1039/c3ta11157a","","","1.54178","CuKα","","0.238","0.1589","","","0.3242","0.3631","","","","","","1.108","","","","has coordinates","244747","2020-10-21","18:00:00",""
"7239528","8.3893","0.0005","10.0156","0.0006","14.3147","0.0008","90","","103.532","0.002","90","","1169.39","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-dinitro-N-(2,2,2-trinitroethyl)-1H-imidazol-1-amine","","- C5 H4 N8 O10 -","- C5 H4 N8 O10 -","- C20 H16 N32 O40 -","4","1","","Yin, Ping; Zhang, Qinghua; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","N-Trinitroethylamino functionalization of nitroimidazoles: a new strategy for high performance energetic materials","Journal of Materials Chemistry A","2013","1","25","7500","","10.1039/c3ta11356f","","","0.71073","MoKα","","0.0337","0.0292","","","0.075","0.0779","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239529","11.1074","0.0007","9.5233","0.0006","10.977","0.0007","90","","90","","90","","1161.14","0.13","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,4-dinitro-N-(2,2,2-trinitroethyl)-1H-imidazol-1-amine","","- C5 H4 N8 O10 -","- C5 H4 N8 O10 -","- C20 H16 N32 O40 -","4","1","","Yin, Ping; Zhang, Qinghua; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","N-Trinitroethylamino functionalization of nitroimidazoles: a new strategy for high performance energetic materials","Journal of Materials Chemistry A","2013","1","25","7500","","10.1039/c3ta11356f","","","0.71073","MoKα","","0.0412","0.0387","","","0.1071","0.1096","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239530","17.9218","0.0008","17.9218","0.0008","11.2184","0.0008","90","","90","","90","","3603.2","0.3","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H3 In0.5 O4 -","- C8 H3 In0.5 O4 -","- C64 H24 In4 O32 -","8","1","","Qian, Jinjie; Jiang, Feilong; Yuan, Daqiang; Li, Xingjun; Zhang, Linjie; Su, Kongzhao; Hong, Maochun","Increase in pore size and gas uptake capacity in indium-organic framework materials","Journal of Materials Chemistry A","2013","1","32","9075","","10.1039/c3ta11548h","","","0.71073","MoKα","","0.0235","0.0228","","","0.0663","0.0665","","","","","","1.133","","","","has coordinates","244749","2020-10-21","18:00:00",""
"7239531","18.802","0.005","28.875","0.006","23.835","0.006","90","","96.129","0.005","90","","12866","5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H142 Cd2 N4 O46 Ti17 -","- C79 H135 Cd2 N4 O46 Ti17 -","- C316 H540 Cd8 N16 O184 Ti68 -","4","0.5","","Wu, Yin-Yin; Wang, Peng; Wang, Yu-Hong; Jiang, Jian-Bing; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Metal‒phenanthroline fused Ti17 clusters, a single molecular source for sensitized photoconductive films","Journal of Materials Chemistry A","2013","1","34","9862","","10.1039/c3ta11571b","","","0.71075","MoKα","","0.1051","0.0818","","","0.1749","0.1893","","","","","","1.022","","","","has coordinates","244750","2020-10-21","18:00:00",""
"7239532","15.8","0.003","27.683","0.006","25.877","0.005","90","","90.9","0.03","90","","11317","4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H128 Co2 N4 O44 Ti17 -","- C72 H16 Co2 N4 O44 Ti17 -","- C288 H64 Co8 N16 O176 Ti68 -","4","1","","Wu, Yin-Yin; Wang, Peng; Wang, Yu-Hong; Jiang, Jian-Bing; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Metal‒phenanthroline fused Ti17 clusters, a single molecular source for sensitized photoconductive films","Journal of Materials Chemistry A","2013","1","34","9862","","10.1039/c3ta11571b","","","0.71073","MoKα","","0.1899","0.1099","","","0.2165","0.2549","","","","","","1.014","","","","has coordinates","244751","2020-10-21","18:00:00",""
"7239533","12.364","0.003","22.542","0.005","12.548","0.003","90","","106.993","0.005","90","","3344.6","1.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C84 H88 N4 -","- C84 H88 N4 -","- C168 H176 N8 -","2","1","","Cai, Shengyun; Tian, Guojian; Li, Xin; Su, Jianhua; Tian, He","Efficient and stable DSSC sensitizers based on substituted dihydroindolo[2,3-b]carbazole donors with high molar extinction coefficients","Journal of Materials Chemistry A","2013","1","37","11295","","10.1039/c3ta11748k","","","0.71073","MoKα","","0.1467","0.0574","","","0.1269","0.1681","","","","","","0.958","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239534","7.359","0.002","9.487","0.003","14.286","0.004","96.444","0.019","101.75","0.011","101.692","0.013","943.9","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H20 N14 O10 -","- C8 H20 N14 O10 -","- C16 H40 N28 O20 -","2","1","","Liang, Lixuan; Cao, Dan; Song, Jinhong; Huang, Haifeng; Wang, Kai; Bian, Chengming; Dong, Xiao; Zhou, Zhiming","Synthesis and characteristics of novel energetic salts based on bis(N-dinitroethyl)aminofurazan","Journal of Materials Chemistry A","2013","1","31","8857","","10.1039/c3ta11784g","","","0.71073","MoKα","","0.1041","0.0681","","","0.1694","0.1961","","","","","","1.004","","","","has coordinates","244753","2020-10-21","18:00:00",""
"7239535","26.4685","0.0012","22.6646","0.0011","40.1626","0.0018","90","","100.171","0.001","90","","23714.8","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C69 H42 O14 Pb3 -","- C69 H42 O14 Pb3 -","- C552 H336 O112 Pb24 -","8","1","","Jia, Jiangtao; Sun, Fuxing; Ma, Heping; Wang, Lei; Cai, Kun; Bian, Zheng; Gao, Lianxun; Zhu, Guangshan","Trigonal prism or octahedron: the conformational change of a dendritic six-node ligand in MOFs","Journal of Materials Chemistry A","2013","1","35","10112","","10.1039/c3ta11840a","","","0.71073","MoKα","","0.1188","0.0723","","","0.213","0.2316","","","","","","0.961","","","","has coordinates","244754","2020-10-21","18:00:00",""
"7239536","19.85","0.003","19.85","0.003","83.91","0.03","90","","90","","120","","28633","12","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C H N O Zn -","- C2.31933 H1.41176 O0.436975 Zn0.134454 -","- C828 H504 O156 Zn48 -","357","9.91667","","Jia, Jiangtao; Sun, Fuxing; Ma, Heping; Wang, Lei; Cai, Kun; Bian, Zheng; Gao, Lianxun; Zhu, Guangshan","Trigonal prism or octahedron: the conformational change of a dendritic six-node ligand in MOFs","Journal of Materials Chemistry A","2013","1","35","10112","","10.1039/c3ta11840a","","","0.71073","MoKα","","0.145","0.1155","","","0.3348","0.358","","","","","","1.384","","","","has coordinates","244754","2020-10-21","18:00:00",""
"7239537","8.2329","0.0017","10.089","0.002","10.856","0.002","88.349","0.017","74.846","0.016","68.32","0.015","806.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cu F6 N2 O2 -","- C16 H10 Cu F6 N2 O2 -","- C32 H20 Cu2 F12 N4 O4 -","2","1","","Giebelhaus, Irina; Varechkina, Elena; Fischer, Thomas; Rumyantseva, Marina; Ivanov, Vladimir; Gaskov, Alexander; Morante, Joan Ramon; Arbiol, Jordi; Tyrra, Wieland; Mathur, Sanjay","One-dimensional CuO–SnO2 p–n heterojunctions for enhanced detection of H2S","Journal of Materials Chemistry A","2013","1","37","11261","","10.1039/c3ta11867c","","","0.71073","MoKα","","0.1313","0.0527","","","0.1302","0.1619","","","","","","0.86","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239538","16.7418","0.0009","20.0777","0.0011","17.0974","0.001","90","","114.455","0.001","90","","5231.5","0.5","120","","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H52 N2 P4 Pt2 -","- C64 H52 N2 P4 Pt2 -","- C256 H208 N8 P16 Pt8 -","4","1","","Li, Xing; Zhao, Xiuhua; Gao, Shuiying; Marqués-González, Santiago; Yufit, Dmitry S.; Howard, Judith A. K.; Low, Paul J.; Zhao, Yayun; Gan, Ning; Guo, Zhiyong","The structure and coordinative self-assembly of films based on a palladium compound of pyridyl-acetylene platinum and its application in Suzuki and Heck coupling reactions","Journal of Materials Chemistry A","2013","1","32","9164","","10.1039/c3ta11868a","","","0.71073","MoKα","","0.0749","0.0388","","","0.0719","0.0844","","","","","","1.005","","","","has coordinates","244756","2020-10-21","18:00:00",""
"7239539","11.122","0.0013","11.9382","0.0014","14.1843","0.0017","74.869","0.002","76.48","0.002","73.859","0.002","1719.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","catena-((μ~4~-2,2'-biquinoline-4,4'-dicarboxylato-O,O',O'',O''')-bis(μ~3~-2,2'-biquinoline-4,4'-dicarboxylato-O,O,O',O'',O''')-aqua-tris(N,N-dimethylformamide-O)-bis-europium(iii) hemi(dimethylformamide) solvate monohydrate)","","- C35.25 H29.25 Eu N4.75 O8.75 -","- C35.25 H26.25 Eu N5 O8.75 -","- C70.5 H52.5 Eu2 N10 O17.5 -","2","1","","Zhu, Yi-Min; Zeng, Cheng-Hui; Chu, Tian-Shu; Wang, Hong-Ming; Yang, Yang-Yi; Tong, Ye-Xiang; Su, Cheng-Yong; Wong, Wing-Tak","A novel highly luminescent LnMOF film: a convenient sensor for Hg2+ detecting","Journal of Materials Chemistry A","2013","1","37","11312","","10.1039/c3ta11925d","","","0.71073","MoKα","","0.0593","0.0421","","","0.1163","0.1324","","","","","","1.127","","","","has coordinates,has disorder","244757","2020-10-21","18:00:00",""
"7239540","10.3434","0.0003","11.2882","0.0004","13.4642","0.0002","81.722","0.005","83.227","0.004","89.615","0.005","1544.74","0.08","296.1","","296.1","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 N6 S4 -","- C33 H28 N6 S4 -","- C66 H56 N12 S8 -","2","1","","Nazari, Shidokht; Cameron, Stanley; Johnson, Michel B.; Ghandi, Khashayar","Physicochemical properties of imidazo-pyridine protic ionic liquids","Journal of Materials Chemistry A","2013","1","38","11570","","10.1039/c3ta12022h","","","0.7107","MoKα","","","0.0417","","","","0.0504","","","","","","1.133","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239541","28.7876","0.0011","28.7876","0.0011","11.1348","0.0005","90","","90","","90","","9227.7","0.6","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C84 H48 N20 O17 Zn8 -","- C83.98 H48 N20 O16.98 Zn8 -","- C167.96 H96 N40 O33.96 Zn16 -","2","0.25","","Xu, Hui; Cai, Jianfeng; Xiang, Shengchang; Zhang, Zhangjing; Wu, Chuande; Rao, Xiangtang; Cui, Yuanjing; Yang, Yu; Krishna, Rajamani; Chen, Banglin; Qian, Guodong","A cationic microporous metal‒organic framework for highly selective separation of small hydrocarbons at room temperature","Journal of Materials Chemistry A","2013","1","34","9916","","10.1039/c3ta12086d","","","0.71073","MoKα","","0.1324","0.0816","","","0.2139","0.234","","","","","","1.074","","","","has coordinates,has disorder","244759","2020-10-21","18:00:00",""
"7239542","24.6841","0.0013","12.9554","0.0007","14.6905","0.0008","90","","96.658","0.001","90","","4666.2","0.4","185","2","185","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Eu F N O8 -","- C18 H15 Eu F N O8 -","- C144 H120 Eu8 F8 N8 O64 -","8","1","","Hao, Zhaomin; Song, Xuezhi; Zhu, Min; Meng, Xing; Zhao, Shuna; Su, Shengqun; Yang, Weiting; Song, Shuyan; Zhang, Hongjie","One-dimensional channel-structured Eu-MOF for sensing small organic molecules and Cu2+ ion","Journal of Materials Chemistry A","2013","1","36","11043","","10.1039/c3ta12270k","","","0.71073","MoKα","","0.0675","0.0568","","","0.1636","0.1714","","","","","","1.097","","","","has coordinates","244760","2020-10-21","18:00:00",""
"7239543","24.605","0.002","12.9653","0.0012","14.62","0.0014","90","","96.727","0.002","90","","4631.8","0.7","185","2","185","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 F N O8 Tb -","- C18 H15 F N O8 Tb -","- C144 H120 F8 N8 O64 Tb8 -","8","1","","Hao, Zhaomin; Song, Xuezhi; Zhu, Min; Meng, Xing; Zhao, Shuna; Su, Shengqun; Yang, Weiting; Song, Shuyan; Zhang, Hongjie","One-dimensional channel-structured Eu-MOF for sensing small organic molecules and Cu2+ ion","Journal of Materials Chemistry A","2013","1","36","11043","","10.1039/c3ta12270k","","","0.71073","MoKα","","0.075","0.0597","","","0.1697","0.1793","","","","","","1.063","","","","has coordinates","244760","2020-10-21","18:00:00",""
"7239544","27.3685","0.0002","27.3685","0.0002","27.3685","0.0002","90","","90","","90","","20500","0.3","173","2","173","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C11 H5 N0.5 O3 Zn0.75 -","- C11 H5 N0.5 O3 Zn0.75 -","- C528 H240 N24 O144 Zn36 -","48","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Pan, Jie; Zhang, Linjie; Li, Xingjun; Yuan, Daqiang; Hong, Maochun","Sorption behaviour in a unique 3,12-connected zinc‒organic framework with 2.4 nm cages","Journal of Materials Chemistry A","2013","1","36","10631","","10.1039/c3ta12391j","","","1.54184","CuKα","","0.0841","0.0799","","","0.2435","0.2527","","","","","","1.086","","","","has coordinates","244761","2020-10-21","18:00:00",""
"7239545","26.07","0.005","26.07","0.005","18.601","0.005","90","","90","","90","","12642","5","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C110 H184 Cu4 N14 O44 -","- C54 H30 Cu4 N2 O18 -","- C216 H120 Cu16 N8 O72 -","4","1","","He, Wen-Wen; Li, Shun-Li; Li, Wen-Liang; Li, Ji-Sen; Yang, Guang-Sheng; Zhang, Shu-Ran; Lan, Ya-Qian; Shen, Ping; Su, Zhong-Min","Multipoint interactions enhanced H2 storage and organosulfur removal in a microporous metal‒organic framework","Journal of Materials Chemistry A","2013","1","37","11111","","10.1039/c3ta12662e","","","0.71069","MoKα","","0.0937","0.0795","","","0.2109","0.22","","","","","","1.127","","","","has coordinates","244762","2020-10-21","18:00:00",""
"7239546","20.53","0.005","20.773","0.005","18.804","0.004","90","","90.945","0.003","90","","8018","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 Cu2 O12 -","- C47 H36 Cu2 O12 -","- C188 H144 Cu8 O48 -","4","0.5","","Makal, Trevor A.; Zhuang, Wenjuan; Zhou, Hong-Cai","Realization of both high hydrogen selectivity and capacity in a guest responsive metal‒organic framework","Journal of Materials Chemistry A","2013","1","43","13502","","10.1039/c3ta12761c","","","0.71073","MoKα","","0.1203","0.0691","","","0.1852","0.2004","","","","","","0.908","","","","has coordinates","244763","2020-10-21","18:00:00",""
"7239547","15.01","0.02","16.62","0.02","19.29","0.03","102.288","0.019","91.786","0.018","93.3","0.018","4690","11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H36 Cu2 N0 O12 -","- C47 H36 Cu2 O12 -","- C94 H72 Cu4 O24 -","2","1","","Makal, Trevor A.; Zhuang, Wenjuan; Zhou, Hong-Cai","Realization of both high hydrogen selectivity and capacity in a guest responsive metal‒organic framework","Journal of Materials Chemistry A","2013","1","43","13502","","10.1039/c3ta12761c","","","0.71073","MoKα","","0.3232","0.144","","","0.2598","0.2789","","","","","","1.001","","","","has coordinates","244763","2020-10-21","18:00:00",""
"7239548","20.639","0.009","22.923","0.01","23.247","0.01","82.718","0.006","71.061","0.006","80.352","0.007","10225","8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","PCN-38","","","- C90 H64 Cu4 N0 O24 -","- C90 H64 Cu4 O24 -","- C180 H128 Cu8 O48 -","2","1","","Makal, Trevor A.; Zhuang, Wenjuan; Zhou, Hong-Cai","Realization of both high hydrogen selectivity and capacity in a guest responsive metal‒organic framework","Journal of Materials Chemistry A","2013","1","43","13502","","10.1039/c3ta12761c","","","0.71073","MoKα","","0.2063","0.0715","","","0.1723","0.1796","","","","","","0.839","","","","has coordinates","244763","2020-10-21","18:00:00",""
"7239551","40.0928","0.0017","40.0928","0.0017","40.0928","0.0017","90","","90","","90","","64446","5","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C408 H592 Cu24 N76 O196 -","- C216 H168 Cu24 N12 O132 -","- C864 H672 Cu96 N48 O528 -","4","0.0208333","","Wang, Hai-Ning; Liu, Fu-Hong; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Three neutral metal‒organic frameworks with micro- and meso-pores for adsorption and separation of dyes","Journal of Materials Chemistry A","2013","1","42","13060","","10.1039/c3ta13242k","","","0.71073","MoKα","","0.056","0.0449","","","0.1336","0.1399","","","","","","1.085","","","","has coordinates","244766","2020-10-21","18:00:00",""
"7239552","46.173","","46.173","","46.173","","90","","90","","90","","98438.3","","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C609 H1001 Cu24 N131 O251 -","- C252 H168 Cu24 N12 O132 -","- C1008 H672 Cu96 N48 O528 -","4","0.0208333","","Wang, Hai-Ning; Liu, Fu-Hong; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Three neutral metal‒organic frameworks with micro- and meso-pores for adsorption and separation of dyes","Journal of Materials Chemistry A","2013","1","42","13060","","10.1039/c3ta13242k","","","0.71073","MoKα","","0.0962","0.0723","","","0.2038","0.2234","","","","","","1.06","","","","has coordinates","244766","2020-10-21","18:00:00",""
"7239553","4.3993","0.0009","10.477","0.002","12.184","0.003","68.811","0.003","84.903","0.003","89.122","0.003","521.46","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","di(2H-tetrazol-5-yl)methanone oxime DMSO","","- C5 H9 N9 O2 S -","- C5 H9 N9 O2 S -","- C10 H18 N18 O4 S2 -","2","1","","Chand, Deepak; Parrish, Damon A.; Shreeve, Jean'ne M.","Di(1H-tetrazol-5-yl)methanone oxime and 5,5′-(hydrazonomethylene)bis(1H-tetrazole) and their salts: a family of highly useful new tetrazoles and energetic materials","Journal of Materials Chemistry A","2013","1","48","15383","","10.1039/c3ta13425c","","","0.71073","MoKα","","0.0514","0.0381","","","0.0905","0.0975","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239554","4.7217","0.0004","16.4748","0.0014","10.3658","0.0009","90","","101.975","0.002","90","","788.8","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-(hydrazonomethylene)bis(1H-tetrazole) hydrate","","- C3 H6 N10 O -","- C3 H6 N10 O -","- C12 H24 N40 O4 -","4","1","","Chand, Deepak; Parrish, Damon A.; Shreeve, Jean'ne M.","Di(1H-tetrazol-5-yl)methanone oxime and 5,5′-(hydrazonomethylene)bis(1H-tetrazole) and their salts: a family of highly useful new tetrazoles and energetic materials","Journal of Materials Chemistry A","2013","1","48","15383","","10.1039/c3ta13425c","","","0.71073","MoKα","","0.0367","0.0334","","","0.0871","0.0898","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239555","6.5633","0.0011","7.6976","0.0013","19.158","0.003","90","","90","","90","","967.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dihydroxylammonium (5,5'-(hydrazonomethylene)ditetrazol-2-ide)","","- C3 H10 N12 O2 -","- C3 H10 N12 O2 -","- C12 H40 N48 O8 -","4","1","","Chand, Deepak; Parrish, Damon A.; Shreeve, Jean'ne M.","Di(1H-tetrazol-5-yl)methanone oxime and 5,5′-(hydrazonomethylene)bis(1H-tetrazole) and their salts: a family of highly useful new tetrazoles and energetic materials","Journal of Materials Chemistry A","2013","1","48","15383","","10.1039/c3ta13425c","","","0.71073","MoKα","","0.0437","0.0384","","","0.0932","0.0964","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239557","15.2853","0.0005","15.2853","0.0005","15.2853","0.0005","90","","90","","90","","3571.3","0.2","100","2","100","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C36 H24 N6 O12 Ru Zn2 -","- C36 H24 N6 O12 Ru Zn2 -","- C144 H96 N24 O48 Ru4 Zn8 -","4","0.166667","","Kent, Caleb A.; Liu, Demin; Ito, Akitaka; Zhang, Teng; Brennaman, M. Kyle; Meyer, Thomas J.; Lin, Wenbin","Rapid energy transfer in non-porous metal‒organic frameworks with caged Ru(bpy)32+ chromophores: oxygen trapping and luminescence quenching","Journal of Materials Chemistry A","2013","1","47","14982","","10.1039/c3ta14009a","","","1.54178","CuKα","","0.022","0.022","","","0.0799","0.0799","","","","","","0.795","","","","has coordinates","244769","2020-10-21","18:00:00",""
"7239579","9.1313","0.0018","8.1896","0.0016","24.073","0.005","90","","90","","90","","1800.2","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 N8 O6 Zn -","- C14 H18 N8 O6 Zn -","- C56 H72 N32 O24 Zn4 -","4","0.5","","Wang, Hao; Hu, Tong-Liang; Wen, Rong-Mei; Wang, Qian; Bu, Xian-He","In vitro controlled release of theophylline from metal–drug complexes","Journal of Materials Chemistry B","2013","1","32","3879","","10.1039/c3tb20633e","","","0.71073","MoKα","","0.0873","0.0664","","","0.1227","0.1326","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239580","7.8873","0.0016","8.7132","0.0017","11.451","0.002","83.47","0.03","80.19","0.03","73.05","0.03","740","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O8 Zn2 -","- C11 H12 N4 O8 Zn2 -","- C22 H24 N8 O16 Zn4 -","2","1","","Wang, Hao; Hu, Tong-Liang; Wen, Rong-Mei; Wang, Qian; Bu, Xian-He","In vitro controlled release of theophylline from metal‒drug complexes","Journal of Materials Chemistry B","2013","1","32","3879","","10.1039/c3tb20633e","","","0.71073","MoKα","","0.1345","0.0736","","","0.1543","0.1758","","","","","","1.006","","","","has coordinates","244776","2020-10-21","18:00:00",""
"7239581","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","","Xu, Zhenzhen; Liao, Qing; Shi, Xingrui; Li, Hui; Zhang, Haoli; Fu, Hongbing","Full-color tunable organic nanoparticles with FRET-assisted enhanced two-photon excited fluorescence for bio-imaging","Journal of Materials Chemistry B","2013","1","44","6035","","10.1039/c3tb20841a","","","0.71073","MoKα","","0.095","0.09","","","0.1972","0.2003","","","","","","1.132","","","","has coordinates","244777","2020-10-21","18:00:00",""
"8000204","12.347","0.002","13.031","0.004","13.621","0.002","107.495","0.003","115.25","0.002","93.094","0.003","1847.8","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 Cl3 N4 -","- C47 H33 Cl3 N4 -","- C94 H66 Cl6 N8 -","2","1","","Harada, Yuka; Hatano, Sayaka; Kimoto, Atsushi; Abe, Jiro","Remarkable Acceleration for Back-Reaction of a Fast Photochromic Molecule","The Journal of Physical Chemistry Letters","2010","1","7","1112","","10.1021/jz100228w","","","0.71073","MoKα","","0.0672","0.051","","","0.133","0.1442","","","","","","1.025","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000205","7.8888","0.0003","10.6684","0.0004","12.2654","0.0005","81.87","0.001","78.907","0.001","67.749","0.001","934.87","0.06","223.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 B F4 N O -","- C21 H18 B F4 N O -","- C42 H36 B2 F8 N2 O2 -","2","1","","Nishizaka, Masaki; Mori, Tadashi; Inoue, Yoshihisa","Experimental and Theoretical Studies on the Chiroptical Properties of Donor−Acceptor Binaphthyls. Effects of Dynamic Conformer Population on Circular Dichroism","The Journal of Physical Chemistry Letters","2010","1","12","1809","","10.1021/jz100574e","","","0.7107","MoKα","","","0.0615","","","","0.1803","","","","","","1.926","","","","has coordinates","301880","2025-08-22","23:45:41",""
"9004993","5.313","","5.313","","7.227","","90","","90","","120","","176.672","","","","","","","","700000","","","","Coli, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.15 Fe0.06 H4 Mg2.82 O9 Si1.94 -","- Al0.15 Fe0.06 H4 Mg2.82 O9 Si1.94 -","- Al0.15 Fe0.06 H4 Mg2.82 O9 Si1.94 -","1","0.166667","","Mellini, M.; Zanazzi, P. F.","Effects of pressure on the structure of lizardite-1T Sample: at P = 7 kbar","European Journal of Mineralogy","1989","1","","13","19","10.1127/ejm/01/1/0013","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004994","5.316","","5.316","","7.15","","90","","90","","120","","174.987","","","","","","","","1250000","","","","Val Sissone","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.22 Fe0.15 H4 Mg2.79 O9 Si1.84 -","- Al0.22 Fe0.15 H4 Mg2.79 O9 Si1.84 -","- Al0.22 Fe0.15 H4 Mg2.79 O9 Si1.84 -","1","0.166667","","Mellini, M.; Zanazzi, P. F.","Effects of pressure on the structure of lizardite-1T Sample: at P = 12.5 kbar","European Journal of Mineralogy","1989","1","","13","19","10.1127/ejm/01/1/0013","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004995","9.982","","9.982","","8.364","","90","","90","","120","","721.738","","","","","","","","","","","","","6","P 63","P 6c","173","","","Nepheline","- Al4 Ca0.285 K0.1 Na3.33 O16 Si4 -","- Al4 Ca0.285 K0.1 Na3.33 O16 Si4 -","- Al8 Ca0.57 K0.2 Na6.66 O32 Si8 -","2","0.333333","","Rossi, G.; Oberti, R.; Smith, D. C.","The crystal structure of a K-poor Ca-rich silicate with the nepheline framework, and crystal-chemical relationships in the compositional space (K,Na,Ca,_)8(Al,Si)16O32","European Journal of Mineralogy","1989","1","","59","70","10.1127/ejm/01/1/0059","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004996","9.695","","8.841","","5.277","","90","","106.62","","90","","433.414","","","","","","","","","","","","Victoria, Australia","9","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.42 Ca0.646 Fe0.271 Mg0.69 Mn0.003 Na0.143 O6 Si1.783 Ti0.044 -","- Al0.42 Ca0.646 Fe0.271 Mg0.69 Mn0.003 Na0.143 O6 Si1.783 Ti0.044 -","- Al1.68 Ca2.584 Fe1.084 Mg2.76 Mn0.012 Na0.572 O24 Si7.132 Ti0.176 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Fr-1","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004997","9.693","","8.837","","5.279","","90","","106.66","","90","","433.202","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.444 Ca0.637 Cr0.001 Fe0.29 Mg0.647 Mn0.004 Na0.159 O6 Si1.772 Ti0.046 -","- Al0.444 Ca0.637 Cr0.001 Fe0.29 Mg0.647 Mn0.004 Na0.159 O6 Si1.772 Ti0.046 -","- Al1.776 Ca2.548 Cr0.004 Fe1.16 Mg2.588 Mn0.016 Na0.636 O24 Si7.088 Ti0.184 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Fr-2","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004998","9.69","","8.837","","5.276","","90","","106.71","","90","","432.709","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.445 Ca0.62 Cr0.001 Fe0.27 Mg0.721 Mn0.005 Na0.136 O6 Si1.766 Ti0.036 -","- Al0.445 Ca0.62 Cr0.001 Fe0.27 Mg0.721 Mn0.005 Na0.136 O6 Si1.766 Ti0.036 -","- Al1.78 Ca2.48 Cr0.004 Fe1.08 Mg2.884 Mn0.02 Na0.544 O24 Si7.064 Ti0.144 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Fr-3","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004999","9.693","","8.839","","5.279","","90","","106.68","","90","","433.255","","","","","","","","","","","","Victoria, Australia","9","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.426 Ca0.631 Fe0.295 Mg0.662 Mn0.004 Na0.163 O6 Si1.777 Ti0.042 -","- Al0.426 Ca0.631 Fe0.295 Mg0.662 Mn0.004 Na0.163 O6 Si1.777 Ti0.042 -","- Al1.704 Ca2.524 Fe1.18 Mg2.648 Mn0.016 Na0.652 O24 Si7.108 Ti0.168 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Fr-4","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005000","9.696","","8.839","","5.276","","90","","106.64","","90","","433.233","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Al0.413 Ca0.637 Cr0.004 Fe1.138 Mg0.722 Mn0.004 Na0.139 O6 Si1.778 Ti0.035 -","- Al0.413 Ca0.637 Cr0.004 Fe130.138 Mg0.722 Mn0.004 Na0.139 O6 Si1.778 Ti0.035 -","- Al1.652 Ca2.548 Cr0.016 Fe520.552 Mg2.888 Mn0.016 Na0.556 O24 Si7.112 Ti0.14 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Fr-5","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005001","9.705","","8.861","","5.272","","90","","106.38","","90","","434.97","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.303 Ca0.705 Cr0.001 Fe0.24 Mg0.684 Mn0.004 Na0.176 O6 Si1.848 Ti0.039 -","- Al0.303 Ca0.705 Cr0.001 Fe0.24 Mg0.684 Mn0.004 Na0.176 O6 Si1.848 Ti0.039 -","- Al1.212 Ca2.82 Cr0.004 Fe0.96 Mg2.736 Mn0.016 Na0.704 O24 Si7.392 Ti0.156 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Me-6","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005002","9.704","","8.861","","5.273","","90","","106.42","","90","","434.918","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.328 Ca0.687 Cr0.006 Fe0.233 Mg0.692 Mn0.006 Na0.158 O6 Si1.846 Ti0.044 -","- Al0.328 Ca0.687 Cr0.006 Fe0.233 Mg0.692 Mn0.006 Na0.158 O6 Si1.846 Ti0.044 -","- Al1.312 Ca2.748 Cr0.024 Fe0.932 Mg2.768 Mn0.024 Na0.632 O24 Si7.384 Ti0.176 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Me-7","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005003","9.705","","8.862","","5.273","","90","","106.4","","90","","435.057","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.301 Ca0.708 Cr0.001 Fe0.235 Mg0.696 Mn0.002 Na0.173 O6 Si1.847 Ti0.037 -","- Al0.301 Ca0.708 Cr0.001 Fe0.235 Mg0.696 Mn0.002 Na0.173 O6 Si1.847 Ti0.037 -","- Al1.204 Ca2.832 Cr0.004 Fe0.94 Mg2.784 Mn0.008 Na0.692 O24 Si7.388 Ti0.148 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Me-8","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005004","9.706","","8.861","","5.275","","90","","106.38","","90","","435.262","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.32 Ca0.688 Cr0.002 Fe0.258 Mg0.656 Mn0.003 Na0.187 O6 Si1.846 Ti0.04 -","- Al0.32 Ca0.688 Cr0.002 Fe0.258 Mg0.656 Mn0.003 Na0.187 O6 Si1.846 Ti0.04 -","- Al1.28 Ca2.752 Cr0.008 Fe1.032 Mg2.624 Mn0.012 Na0.748 O24 Si7.384 Ti0.16 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Me-9","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005005","9.706","","8.873","","5.265","","90","","106.46","","90","","434.846","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.2 Ca0.691 Cr0.001 Fe0.202 Mg0.812 Mn0.006 Na0.159 O6 Si1.918 Ti0.011 -","- Al0.2 Ca0.691 Cr0.001 Fe0.202 Mg0.812 Mn0.006 Na0.159 O6 Si1.918 Ti0.011 -","- Al0.8 Ca2.764 Cr0.004 Fe0.808 Mg3.248 Mn0.024 Na0.636 O24 Si7.672 Ti0.044 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Bu-10","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005006","9.721","","8.877","","5.275","","90","","106.41","","90","","436.655","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.254 Ca0.751 Cr0.007 Fe0.244 Mg0.77 Mn0.003 Na0.092 O6 Si1.848 Ti0.031 -","- Al0.254 Ca0.751 Cr0.007 Fe0.244 Mg0.77 Mn0.003 Na0.092 O6 Si1.848 Ti0.031 -","- Al1.016 Ca3.004 Cr0.028 Fe0.976 Mg3.08 Mn0.012 Na0.368 O24 Si7.392 Ti0.124 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Bu-11","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005007","9.709","","8.864","","5.274","","90","","106.56","","90","","435.057","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.332 Ca0.691 Cr0.003 Fe0.244 Mg0.742 Mn0.008 Na0.128 O6 Si1.816 Ti0.036 -","- Al0.332 Ca0.691 Cr0.003 Fe0.244 Mg0.742 Mn0.008 Na0.128 O6 Si1.816 Ti0.036 -","- Al1.328 Ca2.764 Cr0.012 Fe0.976 Mg2.968 Mn0.032 Na0.512 O24 Si7.264 Ti0.144 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Bu-12","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005008","9.706","","8.858","","5.276","","90","","106.58","","90","","434.748","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.342 Ca0.661 Cr0.003 Fe0.253 Mg0.731 Mn0.007 Na0.132 O6 Si1.826 Ti0.045 -","- Al0.342 Ca0.661 Cr0.003 Fe0.253 Mg0.731 Mn0.007 Na0.132 O6 Si1.826 Ti0.045 -","- Al1.368 Ca2.644 Cr0.012 Fe1.012 Mg2.924 Mn0.028 Na0.528 O24 Si7.304 Ti0.18 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Bu-13","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005009","9.7","","8.858","","5.272","","90","","106.57","","90","","434.172","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.323 Ca0.661 Cr0.005 Fe0.206 Mg0.771 Mn0.001 Na0.153 O6 Si1.851 Ti0.029 -","- Al0.323 Ca0.661 Cr0.005 Fe0.206 Mg0.771 Mn0.001 Na0.153 O6 Si1.851 Ti0.029 -","- Al1.292 Ca2.644 Cr0.02 Fe0.824 Mg3.084 Mn0.004 Na0.612 O24 Si7.404 Ti0.116 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: Bu-14","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005010","9.703","","8.87","","5.268","","90","","106.54","","90","","434.633","","","","","","","","","","","","Victoria, Australia","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.268 Ca0.673 Cr0.002 Fe0.335 Mg0.685 Mn0.007 Na0.116 O6 Si1.895 Ti0.019 -","- Al0.268 Ca0.673 Cr0.002 Fe0.335 Mg0.685 Mn0.007 Na0.116 O6 Si1.895 Ti0.019 -","- Al1.072 Ca2.692 Cr0.008 Fe1.34 Mg2.74 Mn0.028 Na0.464 O24 Si7.58 Ti0.076 -","4","0.5","","Dal Negro, A.; Manoli, S.; Secco, L.; Piccirillo, E. M.","Megacrystic clinopyroxenes from Victoria (Australia): Crystal chemical comparisons of pyroxenes from high and low pressure regimes Sample: No-15","European Journal of Mineralogy","1989","1","","105","121","10.1127/ejm/01/1/0105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005011","10.398","","10.398","","13.771","","90","","90","","120","","1289.42","","","","","","","","","","","","Val Giuf, Graubunden, Switzerland","6","P 6/m c c","-P 6 2c","192","","","Milarite","- Al0.69 Be2.31 Ca2 K1.153 O30.588 Si12 -","- Al0.69 Be2.31 Ca2 K1.153 O30.588 Si12 -","- Al1.38 Be4.62 Ca4 K2.306 O61.176 Si24 -","2","0.0833333","","Armbruster, T.; Bermanec, V.; Wenger, M.; Oberhansli, R.","Crystal chemistry of double-ring silicates: Structure of natural and dehydrated milarite at 100 K Note: natural sample","European Journal of Mineralogy","1989","1","","353","362","10.1127/ejm/1/3/0353","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9005012","10.363","","10.363","","13.827","","90","","90","","120","","1285.97","","","","","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","Milarite","- Al0.639 Be2.361 Ca2 K1.37 O30 Si12 -","- Al0.639 Be2.361 Ca2 K1.37 O30 Si12 -","- Al1.278 Be4.722 Ca4 K2.74 O60 Si24 -","2","0.0833333","","Armbruster, T.; Bermanec, V.; Wenger, M.; Oberhansli, R.","Crystal chemistry of double-ring silicates: Structure of natural and dehydrated milarite at 100 K Note: heated sample","European Journal of Mineralogy","1989","1","","353","362","10.1127/ejm/1/3/0353","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9005013","5.191","","9.006","","20.068","","90","","95.77","","90","","933.429","","","","298.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.84 Fe0.06 H2 K0.88 Mg0.02 Na0.11 O12 Si3.08 -","- Al2.84 Fe0.06 H2 K0.88 Mg0.02 Na0.11 O12 Si3.08 -","- Al11.36 Fe0.24 H8 K3.52 Mg0.08 Na0.44 O48 Si12.32 -","4","0.5","","Catti, M.; Ferraris, G.; Ivaldi, G.","Thermal strain analysis in the crystal structure of muscovite at 700 C T = 25 C","European Journal of Mineralogy","1989","1","","625","632","10.1127/ejm/1/5/0625","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005014","5.229","","9.076","","20.322","","90","","95.74","","90","","959.614","","","","973.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.84 Fe0.06 H2 K0.88 Mg0.02 Na0.11 O12 Si3.08 -","- Al2.84 Fe0.06 H2 K0.88 Mg0.02 Na0.11 O12 Si3.08 -","- Al11.36 Fe0.24 H8 K3.52 Mg0.08 Na0.44 O48 Si12.32 -","4","0.5","","Catti, M.; Ferraris, G.; Ivaldi, G.","Thermal strain analysis in the crystal structure of muscovite at 700 C T= 700 C","European Journal of Mineralogy","1989","1","","625","632","10.1127/ejm/1/5/0625","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005015","10.139","","10.139","","14.269","","90","","90","","120","","1270.32","","","","100","","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","Roedderite","- Fe0.12 K0.94 Mg4.75 Mn0.1 Na1.02 O30 Si12 Ti0.01 -","- Fe0.12 K0.94 Mg4.75 Mn0.1 Na1.02 O30 Si12 Ti0.01 -","- Fe0.24 K1.88 Mg9.5 Mn0.2 Na2.04 O60 Si24 Ti0.02 -","2","0.166667","","Armbruster, T.","Crystal chemistry of double-ring silicates: structure of roedderite at 100 and 300 K T= 100 K","European Journal of Mineralogy","1989","1","","715","718","10.1127/ejm/1/5/0715","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005016","10.141","","10.141","","14.286","","90","","90","","120","","1272.34","","","","300","","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","Roedderite","- Fe0.12 K0.94 Mg4.75 Mn0.1 Na1.02 O30 Si12 Ti0.01 -","- Fe0.12 K0.94 Mg4.75 Mn0.1 Na1.02 O30 Si12 Ti0.01 -","- Fe0.24 K1.88 Mg9.5 Mn0.2 Na2.04 O60 Si24 Ti0.02 -","2","0.166667","","Armbruster, T.","Crystal chemistry of double-ring silicates: structure of roedderite at 100 and 300 K T= 300 K","European Journal of Mineralogy","1989","1","","715","718","10.1127/ejm/1/5/0715","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007425","5.08","","5.08","","11.7","","90","","90","","90","","301.935","","","","","","","","","","","","Synthetic","3","I 41/a :1","I 4bw -1bw","88","","","Tetrarooseveltite","- As Bi O4 -","- As Bi O4 -","- As4 Bi4 O16 -","4","0.25","","Mooney, R. C. L.","Crystal structure of tetragonal bismuth arsenate, BiAsO4","Acta Crystallographica","1948","1","","163","165","10.1107/S0365110X48000478","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008458","5.311","","5.311","","5.311","","90","","90","","90","","149.806","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Actinium","","Actinium","- Ac -","- Ac -","- Ac4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008459","4.0862","","4.0862","","4.0862","","90","","90","","90","","68.227","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Silver","- Ag -","- Ag -","- Ag4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008460","4.04958","","4.04958","","4.04958","","90","","90","","90","","66.409","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Aluminum","- Al -","- Al -","- Al4 -","4","0.0208333","","Wyckoff R W G","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9008461","4.894","","4.894","","4.894","","90","","90","","90","","117.217","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Americium","","Americium","- Am -","- Am -","- Am4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008462","5.256","","5.256","","5.256","","90","","90","","90","","145.2","","","","4.2","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Argon","","Argon","- Ar -","- Ar -","- Ar4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 4.2 K Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008463","4.07825","","4.07825","","4.07825","","90","","90","","90","","67.83","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Gold","- Au -","- Au -","- Au4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008464","5.576","","5.576","","5.576","","90","","90","","90","","173.368","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Calcium","","Calcium","- Ca -","- Ca -","- Ca4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008466","3.548","","3.548","","3.548","","90","","90","","90","","44.663","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Cobalt","","Cobalt","- Co -","- Co -","- Co4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008467","3.68","","3.68","","3.68","","90","","90","","90","","49.836","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Chromium","- Cr -","- Cr -","- Cr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008468","3.61496","","3.61496","","3.61496","","90","","90","","90","","47.24","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Copper","- Cu -","- Cu -","- Cu4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008469","3.591","","3.591","","3.591","","90","","90","","90","","46.307","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe -","- Fe4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008470","3.8394","","3.8394","","3.8394","","90","","90","","90","","56.597","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Iridium","- Ir -","- Ir -","- Ir4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008471","5.721","","5.721","","5.721","","90","","90","","90","","187.247","","","","58","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Krypton","","Krypton","- Kr -","- Kr -","- Kr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 58 K Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008472","5.296","","5.296","","5.296","","90","","90","","90","","148.54","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Lanthanum","","Lanthanum","- La -","- La -","- La4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008473","4.404","","4.404","","4.404","","90","","90","","90","","85.417","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Lithium","","Lithium","- Li -","- Li -","- Li4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008474","4.16","","4.16","","4.16","","90","","90","","90","","71.991","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Molybdenum","- Mo -","- Mo -","- Mo4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008475","4.429","","4.429","","4.429","","90","","90","","90","","86.879","","","","4.2","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Neon","","Neon","- Ne -","- Ne -","- Ne4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 4.2 K Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008476","3.52387","","3.52387","","3.52387","","90","","90","","90","","43.758","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Nickel","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008477","4.9505","","4.9505","","4.9505","","90","","90","","90","","121.324","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Lead","- Pb -","- Pb -","- Pb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008478","3.8898","","3.8898","","3.8898","","90","","90","","90","","58.855","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Palladium","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008479","5.161","","5.161","","5.161","","90","","90","","90","","137.468","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Praseodymium","","Praseodymium","- Pr -","- Pr -","- Pr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008480","3.9231","","3.9231","","3.9231","","90","","90","","90","","60.379","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008481","4.637","","4.637","","4.637","","90","","90","","90","","99.704","","","","593.15","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Plutonium","","Plutonium","- Pu -","- Pu -","- Pu4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 320 C Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008482","3.8031","","3.8031","","3.8031","","90","","90","","90","","55.006","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Rhodium","- Rh -","- Rh -","- Rh4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008483","4.541","","4.541","","4.541","","90","","90","","90","","93.639","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Scandium","","Scandium","- Sc -","- Sc -","- Sc4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008484","6.0847","","6.0847","","6.0847","","90","","90","","90","","225.277","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Strontium","","Strontium","- Sr -","- Sr -","- Sr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008485","5.0843","","5.0843","","5.0843","","90","","90","","90","","131.43","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Thorium","","Thorium","- Th -","- Th -","- Th4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008486","6.197","","6.197","","6.197","","90","","90","","90","","237.982","","","","58","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 58 K Cubic closest packed, ccp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008488","2.2866","","2.2866","","3.5833","","90","","90","","120","","16.225","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008489","3.98","","3.98","","6.52","","90","","90","","120","","89.443","","","","723.15","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Calcium-beta","","Calcium-beta","- Ca -","- Ca -","- Ca2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 450 C Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008490","2.97887","","2.97887","","5.61765","","90","","90","","120","","43.171","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Cadmium","- Cd -","- Cd -","- Cd2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008491","3.65","","3.65","","5.96","","90","","90","","120","","68.764","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Cerium","","Cerium","- Ce -","- Ce -","- Ce2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008492","2.5071","","2.5071","","4.0686","","90","","90","","120","","22.147","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Cobalt","","Cobalt","- Co -","- Co -","- Co2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008493","2.722","","2.722","","4.427","","90","","90","","120","","28.406","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Chromium","- Cr -","- Cr -","- Cr2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008494","3.584","","3.584","","5.668","","90","","90","","120","","63.052","","","","49","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Dysprosium","","Dysprosium","- Dy -","- Dy -","- Dy2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 49 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008495","3.5903","","3.5903","","5.6475","","90","","90","","120","","63.045","","","","293","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Dysprosium","","Dysprosium","- Dy -","- Dy -","- Dy2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 293 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008496","3.55","","3.55","","5.59","","90","","90","","120","","61.01","","","","43","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Erbium","","Erbium","- Er -","- Er -","- Er2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 43 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008498","3.629","","3.629","","5.796","","90","","90","","120","","66.105","","","","106","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Gadolinium","","Gadolinium","- Gd -","- Gd -","- Gd2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 106 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008499","3.636","","3.636","","5.7826","","90","","90","","120","","66.207","","","","293","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Gadolinium","","Gadolinium","- Gd -","- Gd -","- Gd2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 293 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008500","3.57","","3.57","","5.83","","90","","90","","120","","64.348","","","","2","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Helium","","Helium","- He -","- He -","- He2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 2 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008501","3.1967","","3.1967","","5.0578","","90","","90","","120","","44.761","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Hafnium","","Hafnium","- Hf -","- Hf -","- Hf2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008503","3.75","","3.75","","6.07","","90","","90","","120","","73.923","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Lanthanum","","Lanthanum","- La -","- La -","- La2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008506","3.20927","","3.20927","","5.21033","","90","","90","","120","","46.474","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg -","- Mg2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008508","3.657","","3.657","","5.902","","90","","90","","120","","68.356","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Neodymium","","Neodymium","- Nd -","- Nd -","- Nd2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008509","2.65","","2.65","","4.33","","90","","90","","120","","26.334","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Nickel","","","- Ni -","- Ni -","- Ni2 -","2","0.0833333","","Wyckoff R W G","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9008510","2.7352","","2.7352","","4.319","","90","","90","","120","","27.983","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Osmium","- Os -","- Os -","- Os2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008511","3.669","","3.669","","5.92","","90","","90","","120","","69.016","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Praseodymium","","Praseodymium","- Pr -","- Pr -","- Pr2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008512","2.7608","","2.7608","","4.4582","","90","","90","","120","","29.428","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Rhenium","- Re -","- Re -","- Re2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008513","2.70389","","2.70389","","4.28168","","90","","90","","120","","27.11","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Ruthenium","- Ru -","- Ru -","- Ru2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008515","4.32","","4.32","","7.06","","90","","90","","120","","114.105","","","","521","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Strontium","","Strontium","- Sr -","- Sr -","- Sr2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 521 K Hexagonal closest packed, hcp, structure, known as the beta phase","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008517","2.95","","2.95","","4.686","","90","","90","","120","","35.316","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Titanium","","Titanium","- Ti -","- Ti -","- Ti2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008518","3.438","","3.438","","5.478","","90","","90","","120","","56.074","","","","5","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Thallium","","Thallium","- Tl -","- Tl -","- Tl2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 5 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008519","3.456","","3.456","","5.525","","90","","90","","120","","57.149","","","","297","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Thallium","","Thallium","- Tl -","- Tl -","- Tl2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 297 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008522","2.6648","","2.6648","","4.9467","","90","","90","","120","","30.421","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Zinc","- Zn -","- Zn -","- Zn2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008523","3.232","","3.232","","5.147","","90","","90","","120","","46.562","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Zirconium","","Zirconium","- Zr -","- Zr -","- Zr2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008524","3.474","","3.474","","11.25","","90","","90","","120","","117.583","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Americium","","Americium","- Am -","- Am -","- Am4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Double hexagonal closest packed, dhcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008525","3.77","","3.77","","12.159","","90","","90","","120","","149.662","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Lanthanum","","Lanthanum","- La -","- La -","- La4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Double hexagonal closest packed, dhcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008526","3.6579","","3.6579","","11.7992","","90","","90","","120","","136.725","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Neodymium","","Neodymium","- Nd -","- Nd -","- Nd4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Double hexagonal closest packed, dhcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008527","3.6725","","3.6725","","11.8354","","90","","90","","120","","138.241","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Praseodymium","","Praseodymium","- Pr -","- Pr -","- Pr4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Double hexagonal closest packed, dhcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008528","5","","5","","5","","90","","90","","90","","125","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Barium","","Barium","- Ba -","- Ba -","- Ba2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 5 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008529","5.025","","5.025","","5.025","","90","","90","","90","","126.884","","","","300","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Barium","","Barium","- Ba -","- Ba -","- Ba2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 300 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008530","4.38","","4.38","","4.38","","90","","90","","90","","84.028","","","","773","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Calcium-gamma","","Calcium-gamma","- Ca -","- Ca -","- Ca2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 773 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008531","2.8839","","2.8839","","2.8839","","90","","90","","90","","23.985","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Chromium","- Cr -","- Cr -","- Cr2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008534","4.551","","4.551","","4.551","","90","","90","","90","","94.258","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Europium","","Europium","- Eu -","- Eu -","- Eu2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 5 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008536","2.8665","","2.8665","","2.8665","","90","","90","","90","","23.554","","","","298","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron-alpha","","Iron-alpha","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 298 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008537","2.91","","2.91","","2.91","","90","","90","","90","","24.642","","","","1073","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron-beta","","Iron-beta","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1073 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008538","2.94","","2.94","","2.94","","90","","90","","90","","25.412","","","","1700","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron-delta","","Iron-delta","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1700 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008542","3.5093","","3.5093","","3.5093","","90","","90","","90","","43.218","","","","293","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Lithium","","Lithium","- Li -","- Li -","- Li2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 293 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008543","3.1473","","3.1473","","3.1473","","90","","90","","90","","31.176","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Molybdenum","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008545","4.2906","","4.2906","","4.2906","","90","","90","","90","","78.987","","","","293","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Sodium","","Sodium","- Na -","- Na -","- Na2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 293 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008546","3.3004","","3.3004","","3.3004","","90","","90","","90","","35.95","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Niobium","","Niobium","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008547","3.52","","3.52","","3.52","","90","","90","","90","","43.614","","","","873","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Neptunium-gamma","","Neptunium-gamma","- Np -","- Np -","- Np2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 873 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008548","3.638","","3.638","","3.638","","90","","90","","90","","48.149","","","","773","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Plutonium-epsilon","","Plutonium-epsilon","- Pu -","- Pu -","- Pu2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 773 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008551","4.85","","4.85","","4.85","","90","","90","","90","","114.084","","","","887","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Strontium","","Strontium","- Sr -","- Sr -","- Sr2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 887 K Body centered cubic, bcc, structure, known as the gamma phase","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008552","3.3058","","3.3058","","3.3058","","90","","90","","90","","36.127","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tantalum","- Ta -","- Ta -","- Ta2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008553","4.11","","4.11","","4.11","","90","","90","","90","","69.427","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Thorium","","Thorium","- Th -","- Th -","- Th2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at 1723 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008554","3.3065","","3.3065","","3.3065","","90","","90","","90","","36.15","","","","1173","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Titanium-beta","","Titanium-beta","- Ti -","- Ti -","- Ti2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1173 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008555","3.882","","3.882","","3.882","","90","","90","","90","","58.501","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Thallium","","Thallium","- Tl -","- Tl -","- Tl2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008556","3.474","","3.474","","3.474","","90","","90","","90","","41.927","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Uranium-gamma","","Uranium-gamma","- U -","- U -","- U2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008557","3.024","","3.024","","3.024","","90","","90","","90","","27.653","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Vanadium","","Vanadium","- V -","- V -","- V2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008558","3.16469","","3.16469","","3.16469","","90","","90","","90","","31.695","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008559","3.62","","3.62","","3.62","","90","","90","","90","","47.438","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Zirconium","","Zirconium","- Zr -","- Zr -","- Zr2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at 1123 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008560","8.74","","8.74","","5.03","","90","","90","","90","","384.23","","","","","","","","","","","","","1","P 42/n n m :1","P 4n 2 -1n","134","Boron","","Boron","- B -","- B -","- B50 -","50","3.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008562","4.5107","","4.5167","","7.6448","","90","","90","","90","","155.751","","","","","","","","","","","","","1","B m e b","-B 2ab 2","64","Gallium","","","- Ga -","- Ga -","- Ga8 -","8","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008564","3.56679","","3.56679","","3.56679","","90","","90","","90","","45.377","","","","","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008565","5.4307","","5.4307","","5.4307","","90","","90","","90","","160.165","","","","300","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Silicon","","Silicon","- Si -","- Si -","- Si8 -","8","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 300 K","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008566","5.4307","","5.4307","","5.4307","","90","","90","","90","","160.165","","","","1573","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Silicon","","Silicon","- Si -","- Si -","- Si8 -","8","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1573 K","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008567","5.65735","","5.65735","","5.65735","","90","","90","","90","","181.067","","","","","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Germanium","","Germanium","- Ge -","- Ge -","- Ge8 -","8","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008568","6.4912","","6.4912","","6.4912","","90","","90","","90","","273.511","","","","","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","","","Tin-alpha","- Sn -","- Sn -","- Sn8 -","8","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:21:46",""
"9008569","2.456","","2.456","","6.696","","90","","90","","120","","34.979","","","","","","","","","","","","","1","P 63 m c","P 6c -2c","186","Graphite","","Graphite","- C -","- C -","- C4 -","4","0.333333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008570","5.8197","","5.8197","","3.17488","","90","","90","","90","","107.53","","","","","","","","","","","","","1","I 41/a m d :1","I 4bw 2bw -1bw","141","","","Tin","- Sn -","- Sn -","- Sn4 -","4","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample known as white tin","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9008571","5.644","","5.644","","5.644","","90","","90","","90","","179.788","","","","4.2","","","","","","","","","1","P a -3","-P 2ac 2ab 3","205","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N8 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 4.2 K","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008572","3.31","","4.38","","10.5","","90","","90","","90","","152.227","","","","","","","","","","","","","1","B m e b","-B 2ab 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample known as black phosphorus","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008573","3.63","","4.45","","10.96","","90","","90","","90","","177.042","","","","","","","","","","","","","1","B m e b","-B 2ab 2","64","Arsenolamprite","","Arsenolamprite","- As -","- As -","- As8 -","8","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008574","4.131","","4.131","","4.131","","54.167","","54.167","","54.167","","43.061","","","","","","","","","","","","","1","R -3 m :R","-P 3* 2","166","Arsenic","","Arsenolamprite","- As -","- As -","- As2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008575","4.50661","","4.50661","","4.50661","","57.108","","57.108","","57.108","","60.406","","","","","","","","","","","","","1","R -3 m :R","-P 3* 2","166","Antimony","","Antimony","- Sb -","- Sb -","- Sb2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008576","4.7459","","4.7459","","4.7459","","57.237","","57.237","","57.237","","70.776","","","","","","","","","","","","","1","R -3 m :R","-P 3* 2","166","Bismuth","","Bismuth","- Bi -","- Bi -","- Bi2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008577","10.467","","12.87","","24.493","","90","","90","","90","","3299.46","","","","","","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","Sulphur","","Sulphur","- S8 -","- S8 -","- S128 -","16","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008579","4.35517","","4.35517","","4.94945","","90","","90","","120","","81.301","","","","","","","","","","","","","1","P 32 2 1","P 32 2""","154","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008580","4.44693","","4.44693","","5.91492","","90","","90","","120","","101.298","","","","","","","","","","","","","1","P 32 2 1","P 32 2""","154","Tellurium","Tellurium","Tellurium","- Te -","- Te -","- Te3 -","3","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","297067","2025-01-06","09:28:26",""
"9008581","9.05","","9.07","","11.61","","90","","90.767","","90","","952.904","","","","","","","","","","","","","1","P 1 21/n 1","-P 2yn","14","Selenium","","Selenium","- Se8 -","- Se8 -","- Se32 -","4","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample is the alpha form of the monoclinic phase","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008582","12.85","","8.07","","9.31","","90","","93.133","","90","","963.999","","","","","","","","","","","","","1","P 1 21/a 1","-P 2yab","14","Selenium","","Selenium","- Se8 -","- Se8 -","- Se32 -","4","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample is the beta form of the monoclinic phase","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008583","5.083","","5.083","","5.083","","90","","90","","90","","131.329","","","","","","","","","","","","","1","P m -3 n","-P 4n 2 3","223","","","Tungsten","- W -","- W -","- W8 -","8","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample is formed when certain tungstates are electrolyzed","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008584","2.854","","5.869","","4.955","","90","","90","","90","","82.997","","","","","","","","","","","","","1","C m c m","-C 2c 2","63","Uranium-alpha","","Uranium-alpha","- U -","- U -","- U4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008585","4.723","","4.887","","6.663","","90","","90","","90","","153.791","","","","","","","","","","","","","1","P m c n","-P 2n 2a","62","Neptunium-alpha","","Neptunium-alpha","- Np -","- Np -","- Np8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample is stable at room conditions","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008586","4.897","","4.897","","3.388","","90","","90","","90","","81.246","","","","586","","","","","","","","","1","P 4 21 2","P 4ab 2ab","90","Neptunium-beta","","Neptunium-beta","- Np -","- Np -","- Np4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample is stable between 551 K and 843 K Note: T = 586 K","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008587","6.1835","","4.8244","","10.973","","90","","101.8","","90","","320.425","","","","","","","","","","","","","1","P 1 21/m 1","-P 2yb","11","Plutonium-alpha","","Plutonium-alpha","- Pu -","- Pu -","- Pu16 -","16","4","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample is stable room conditions to 110 C","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008588","3.1587","","5.7682","","10.162","","90","","90","","90","","185.152","","","","508","","","","","","","","","1","F d d d :1","F 2 2 -1d","70","Plutonium-gamma","","Plutonium-gamma","- Pu -","- Pu -","- Pu8 -","8","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 508 K","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008589","8.894","","8.894","","8.894","","90","","90","","90","","703.544","","","","","","","","","","","","","1","I -4 3 m","I -4 2 3","217","","","Manganese-alpha","- Mn -","- Mn -","- Mn58 -","58","1.20833","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample is formed by fusing or distilling electrolytic manganese","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008590","3.863","","3.863","","3.863","","90","","90","","90","","57.647","","","","1373.15","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Manganese-gamma","- Mn -","- Mn -","- Mn4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1100 C","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008591","3.081","","3.081","","3.081","","90","","90","","90","","29.247","","","","1413.15","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Manganese-delta","- Mn -","- Mn -","- Mn2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1140 C, stable till melting point at 1245 C","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008592","3.093","","3.093","","3.093","","90","","90","","90","","29.59","","","","1513.15","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Manganese-delta","- Mn -","- Mn -","- Mn2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1240 C, stable till melting point at 1245 C","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008593","6.24","","8.26","","4.48","","90","","90","","90","","230.91","","","","113","","","","","","","","","1","B m e b","-B 2ab 2","64","Chlorine","","","- Cl2 -","- Cl2 -","- Cl8 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 113 K","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008594","6.67","","8.72","","4.48","","90","","90","","90","","260.568","","","","123","","","","","","","","","1","B m e b","-B 2ab 2","64","Bromine","","","- Br2 -","- Br2 -","- Br8 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 123 K","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008595","7.27007","","9.79344","","4.79004","","90","","90","","90","","341.046","","","","","","","","","","","","","1","B m e b","-B 2ab 2","64","Iodine","","","- I2 -","- I2 -","- I8 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008596","5.7745","","5.7745","","5.7745","","90","","90","","90","","192.55","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","Bromargyrite","","Bromargyrite","- Ag Br -","- Ag Br -","- Ag4 Br4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008597","5.47","","5.47","","5.47","","90","","90","","90","","163.667","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","Chlorargyrite","","Chlorargyrite","- Ag Cl -","- Ag Cl -","- Ag4 Cl4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:44",""
"9008598","4.92","","4.92","","4.92","","90","","90","","90","","119.095","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ag F -","- Ag F -","- Ag4 F4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008599","5.523","","5.523","","5.523","","90","","90","","90","","168.471","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ba O -","- Ba O -","- Ba4 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008600","6.3875","","6.3875","","6.3875","","90","","90","","90","","260.611","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ba S -","- Ba S -","- Ba4 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008601","6.6","","6.6","","6.6","","90","","90","","90","","287.496","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ba Se -","- Ba Se -","- Ba4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008602","6.986","","6.986","","6.986","","90","","90","","90","","340.946","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ba Te -","- Ba Te -","- Ba4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008603","5.99","","5.99","","5.99","","90","","90","","90","","214.922","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi Se -","- Bi Se -","- Bi4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008604","6.47","","6.47","","6.47","","90","","90","","90","","270.84","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi Te -","- Bi Te -","- Bi4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008605","4.8105","","4.8105","","4.8105","","90","","90","","90","","111.319","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008606","5.6903","","5.6903","","5.6903","","90","","90","","90","","184.249","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Oldhamite","- Ca S -","- Ca S -","- Ca4 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008607","5.91","","5.91","","5.91","","90","","90","","90","","206.425","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ca Se -","- Ca Se -","- Ca4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008608","6.345","","6.345","","6.345","","90","","90","","90","","255.444","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ca Te -","- Ca Te -","- Ca4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008609","4.6953","","4.6953","","4.6953","","90","","90","","90","","103.512","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Monteponite","- Cd O -","- Cd O -","- Cd4 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008610","6.06","","6.06","","6.06","","90","","90","","90","","222.545","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Ce -","- As Ce -","- As4 Ce4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008611","6.487","","6.487","","6.487","","90","","90","","90","","272.981","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi Ce -","- Bi Ce -","- Bi4 Ce4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008612","5.011","","5.011","","5.011","","90","","90","","90","","125.827","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ce N -","- Ce N -","- Ce4 N4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008613","5.897","","5.897","","5.897","","90","","90","","90","","205.066","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ce P -","- Ce P -","- Ce4 P4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008614","5.778","","5.778","","5.778","","90","","90","","90","","192.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ce S -","- Ce S -","- Ce4 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008615","6.399","","6.399","","6.399","","90","","90","","90","","262.021","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ce Sb -","- Ce Sb -","- Ce4 Sb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008616","5.982","","5.982","","5.982","","90","","90","","90","","214.062","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ce Se -","- Ce Se -","- Ce4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008617","6.346","","6.346","","6.346","","90","","90","","90","","255.564","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ce Te -","- Ce Te -","- Ce4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008618","4.2667","","4.2667","","4.2667","","90","","90","","90","","77.674","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Co O -","- Co O -","- Co4 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008619","4.14","","4.14","","4.14","","90","","90","","90","","70.958","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Carlsbergite","- Cr N -","- Cr N -","- Cr4 N4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008620","7.02","","7.02","","7.02","","90","","90","","90","","345.948","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cl Cs -","- Cl Cs -","- Cl4 Cs4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008621","6.008","","6.008","","6.008","","90","","90","","90","","216.865","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cs F -","- Cs F -","- Cs4 F4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008622","6.376","","6.376","","6.376","","90","","90","","90","","259.206","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cs H -","- Cs H -","- Cs4 H4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008623","5.78","","5.78","","5.78","","90","","90","","90","","193.101","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Dy -","- As Dy -","- As4 Dy4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008624","4.905","","4.905","","4.905","","90","","90","","90","","118.01","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Dy N -","- Dy N -","- Dy4 N4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008625","6.153","","6.153","","6.153","","90","","90","","90","","232.949","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Dy Sb -","- Dy Sb -","- Dy4 Sb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008626","6.092","","6.092","","6.092","","90","","90","","90","","226.089","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Dy Te -","- Dy Te -","- Dy4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008627","5.732","","5.732","","5.732","","90","","90","","90","","188.33","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Er -","- As Er -","- As4 Er4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008628","4.839","","4.839","","4.839","","90","","90","","90","","113.31","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Er N -","- Er N -","- Er4 N4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008629","6.106","","6.106","","6.106","","90","","90","","90","","227.651","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Er Sb -","- Er Sb -","- Er4 Sb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008630","6.063","","6.063","","6.063","","90","","90","","90","","222.876","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Er Te -","- Er Te -","- Er4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008631","5.014","","5.014","","5.014","","90","","90","","90","","126.053","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Eu N -","- Eu N -","- Eu4 N4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008632","5.957","","5.957","","5.957","","90","","90","","90","","211.389","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Eu S -","- Eu S -","- Eu4 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008633","5.1439","","5.1439","","5.1439","","90","","90","","90","","136.106","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Eu O -","- Eu O -","- Eu4 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008634","6.191","","6.191","","6.191","","90","","90","","90","","237.292","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Eu Se -","- Eu Se -","- Eu4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008635","6.584","","6.584","","6.584","","90","","90","","90","","285.41","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Eu Te -","- Eu Te -","- Eu4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008636","4.3108","","4.3108","","4.3108","","90","","90","","90","","80.108","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Wuestite","- Fe O -","- Fe O -","- Fe4 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008637","5.854","","5.854","","5.854","","90","","90","","90","","200.613","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Gd -","- As Gd -","- As4 Gd4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008638","4.999","","4.999","","4.999","","90","","90","","90","","124.925","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Gd N -","- Gd N -","- Gd4 N4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008639","6.217","","6.217","","6.217","","90","","90","","90","","240.294","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Gd Sb -","- Gd Sb -","- Gd4 Sb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008640","5.771","","5.771","","5.771","","90","","90","","90","","192.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Gd Se -","- Gd Se -","- Gd4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008641","4.4578","","4.4578","","4.4578","","90","","90","","90","","88.585","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- C Hf -","- C Hf -","- C4 Hf4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008642","5.771","","5.771","","5.771","","90","","90","","90","","192.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Ho -","- As Ho -","- As4 Ho4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008643","6.228","","6.228","","6.228","","90","","90","","90","","241.572","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi Ho -","- Bi Ho -","- Bi4 Ho4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008644","4.874","","4.874","","4.874","","90","","90","","90","","115.786","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ho N -","- Ho N -","- Ho4 N4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008645","5.626","","5.626","","5.626","","90","","90","","90","","178.073","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ho P -","- Ho P -","- Ho4 P4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008646","5.465","","5.465","","5.465","","90","","90","","90","","163.219","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ho S -","- Ho S -","- Ho4 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008647","6.13","","6.13","","6.13","","90","","90","","90","","230.346","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ho Sb -","- Ho Sb -","- Ho4 Sb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008648","5.68","","5.68","","5.68","","90","","90","","90","","183.25","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ho Se -","- Ho Se -","- Ho4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008649","6.049","","6.049","","6.049","","90","","90","","90","","221.335","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ho Te -","- Ho Te -","- Ho4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008650","6.6","","6.6","","6.6","","90","","90","","90","","287.496","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Br K -","- Br K -","- Br4 K4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008651","6.29294","","6.29294","","6.29294","","90","","90","","90","","249.207","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008652","5.347","","5.347","","5.347","","90","","90","","90","","152.873","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Carobbiite","- F K -","- F K -","- F4 K4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008653","5.7","","5.7","","5.7","","90","","90","","90","","185.193","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H K -","- H K -","- H4 K4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008654","7.06555","","7.06555","","7.06555","","90","","90","","90","","352.726","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- I K -","- I K -","- I4 K4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008655","5.78","","5.78","","5.78","","90","","90","","90","","193.101","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- H K O -","- H K O -","- H4 K4 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008656","6.125","","6.125","","6.125","","90","","90","","90","","229.783","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As La -","- As La -","- As4 La4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008657","6.565","","6.565","","6.565","","90","","90","","90","","282.946","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi La -","- Bi La -","- Bi4 La4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008658","5.301","","5.301","","5.301","","90","","90","","90","","148.961","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La N -","- La N -","- La4 N4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008659","6.013","","6.013","","6.013","","90","","90","","90","","217.407","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La P -","- La P -","- La4 P4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008660","5.842","","5.842","","5.842","","90","","90","","90","","199.381","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La S -","- La S -","- La4 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008661","6.475","","6.475","","6.475","","90","","90","","90","","271.468","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La Sb -","- La Sb -","- La4 Sb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008662","6.06","","6.06","","6.06","","90","","90","","90","","222.545","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La Se -","- La Se -","- La4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008663","6.409","","6.409","","6.409","","90","","90","","90","","263.251","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La Te -","- La Te -","- La4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008664","5.5013","","5.5013","","5.5013","","90","","90","","90","","166.493","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Br Li -","- Br Li -","- Br4 Li4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008665","5.12954","","5.12954","","5.12954","","90","","90","","90","","134.969","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cl Li -","- Cl Li -","- Cl4 Li4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008666","4.065","","4.065","","4.065","","90","","90","","90","","67.171","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- D Li -","- D Li -","- D4 Li4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008667","4.0173","","4.0173","","4.0173","","90","","90","","90","","64.834","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Griceite","- F Li -","- F Li -","- F4 Li4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008668","4.0271","","4.0271","","4.0271","","90","","90","","90","","65.31","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H Li -","- H Li -","- H4 Li4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008669","6","","6","","6","","90","","90","","90","","216","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- I Li -","- I Li -","- I4 Li4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008670","4.766","","4.766","","4.766","","90","","90","","90","","108.259","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Lu N -","- Lu N -","- Lu4 N4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008671","4.2112","","4.2112","","4.2112","","90","","90","","90","","74.682","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008672","5.2033","","5.2033","","5.2033","","90","","90","","90","","140.876","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Niningerite","- Mg S -","- Mg S -","- Mg4 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008673","5.451","","5.451","","5.451","","90","","90","","90","","161.968","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg Se -","- Mg Se -","- Mg4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008674","4.4448","","4.4448","","4.4448","","90","","90","","90","","87.813","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Manganosite","- Mn O -","- Mn O -","- Mn4 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008675","5.2236","","5.2236","","5.2236","","90","","90","","90","","142.531","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008676","5.448","","5.448","","5.448","","90","","90","","90","","161.7","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mn Se -","- Mn Se -","- Mn4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008677","5.97324","","5.97324","","5.97324","","90","","90","","90","","213.123","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Br Na -","- Br Na -","- Br4 Na4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008678","5.64056","","5.64056","","5.64056","","90","","90","","90","","179.46","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008679","4.62","","4.62","","4.62","","90","","90","","90","","98.611","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Villiaumite","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008680","4.88","","4.88","","4.88","","90","","90","","90","","116.214","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H Na -","- H Na -","- H4 Na4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008681","6.4728","","6.4728","","6.4728","","90","","90","","90","","271.192","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- I Na -","- I Na -","- I4 Na4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:44",""
"9008682","4.4691","","4.4691","","4.4691","","90","","90","","90","","89.261","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Niobocarbide","- C Nb -","- C Nb -","- C4 Nb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008683","4.702","","4.702","","4.702","","90","","90","","90","","103.956","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N Nb -","- N Nb -","- N4 Nb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008684","4.2097","","4.2097","","4.2097","","90","","90","","90","","74.603","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nb O -","- Nb O -","- Nb4 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008685","5.958","","5.958","","5.958","","90","","90","","90","","211.496","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Nd -","- As Nd -","- As4 Nd4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008686","6.424","","6.424","","6.424","","90","","90","","90","","265.104","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi Nd -","- Bi Nd -","- Bi4 Nd4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008687","5.151","","5.151","","5.151","","90","","90","","90","","136.67","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N Nd -","- N Nd -","- N4 Nd4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008688","5.826","","5.826","","5.826","","90","","90","","90","","197.748","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd P -","- Nd P -","- Nd4 P4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008689","5.681","","5.681","","5.681","","90","","90","","90","","183.347","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd S -","- Nd S -","- Nd4 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008690","6.309","","6.309","","6.309","","90","","90","","90","","251.12","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd Sb -","- Nd Sb -","- Nd4 Sb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008691","5.789","","5.789","","5.789","","90","","90","","90","","194.004","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd Se -","- Nd Se -","- Nd4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008692","6.249","","6.249","","6.249","","90","","90","","90","","244.023","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd Te -","- Nd Te -","- Nd4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008693","4.1684","","4.1684","","4.1684","","90","","90","","90","","72.428","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Bunsenite","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008694","5.9362","","5.9362","","5.9362","","90","","90","","90","","209.183","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Galena","- Pb S -","- Pb S -","- Pb4 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008695","6.1243","","6.1243","","6.1243","","90","","90","","90","","229.704","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Clausthalite","- Pb Se -","- Pb Se -","- Pb4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008696","6.454","","6.454","","6.454","","90","","90","","90","","268.836","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Altaite","- Pb Te -","- Pb Te -","- Pb4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008697","4.02","","4.02","","4.02","","90","","90","","90","","64.965","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H Pd -","- H Pd -","- H4 Pd4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008698","5.997","","5.997","","5.997","","90","","90","","90","","215.676","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Pr -","- As Pr -","- As4 Pr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008699","6.448","","6.448","","6.448","","90","","90","","90","","268.087","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi Pr -","- Bi Pr -","- Bi4 Pr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008700","5.155","","5.155","","5.155","","90","","90","","90","","136.989","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N Pr -","- N Pr -","- N4 Pr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008701","5.86","","5.86","","5.86","","90","","90","","90","","201.23","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- P Pr -","- P Pr -","- P4 Pr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008702","5.727","","5.727","","5.727","","90","","90","","90","","187.837","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pr S -","- Pr S -","- Pr4 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008703","6.353","","6.353","","6.353","","90","","90","","90","","256.411","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pr Sb -","- Pr Sb -","- Pr4 Sb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008704","5.952","","5.952","","5.952","","90","","90","","90","","210.857","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pr Se -","- Pr Se -","- Pr4 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008705","6.309","","6.309","","6.309","","90","","90","","90","","251.12","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pr Te -","- Pr Te -","- Pr4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008706","6.854","","6.854","","6.854","","90","","90","","90","","321.983","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Br Rb -","- Br Rb -","- Br4 Rb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008707","6.581","","6.581","","6.581","","90","","90","","90","","285.02","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cl Rb -","- Cl Rb -","- Cl4 Rb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008708","5.64","","5.64","","5.64","","90","","90","","90","","179.406","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- F Rb -","- F Rb -","- F4 Rb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008709","6.037","","6.037","","6.037","","90","","90","","90","","220.021","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H Rb -","- H Rb -","- H4 Rb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008710","7.342","","7.342","","7.342","","90","","90","","90","","395.77","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- I Rb -","- I Rb -","- I4 Rb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008711","5.487","","5.487","","5.487","","90","","90","","90","","165.198","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Sc -","- As Sc -","- As4 Sc4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008712","4.44","","4.44","","4.44","","90","","90","","90","","87.528","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N Sc -","- N Sc -","- N4 Sc4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008713","5.859","","5.859","","5.859","","90","","90","","90","","201.127","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Sb Sc -","- Sb Sc -","- Sb4 Sc4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008714","5.921","","5.921","","5.921","","90","","90","","90","","207.58","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Sm -","- As Sm -","- As4 Sm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008715","6.362","","6.362","","6.362","","90","","90","","90","","257.502","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi Sm -","- Bi Sm -","- Bi4 Sm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008716","5.0481","","5.0481","","5.0481","","90","","90","","90","","128.642","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N Sm -","- N Sm -","- N4 Sm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008717","4.9883","","4.9883","","4.9883","","90","","90","","90","","124.125","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O Sm -","- O Sm -","- O4 Sm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008718","5.76","","5.76","","5.76","","90","","90","","90","","191.103","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- P Sm -","- P Sm -","- P4 Sm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008719","5.97","","5.97","","5.97","","90","","90","","90","","212.776","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- S Sm -","- S Sm -","- S4 Sm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008720","6.271","","6.271","","6.271","","90","","90","","90","","246.61","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Sb Sm -","- Sb Sm -","- Sb4 Sm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008721","6.2","","6.2","","6.2","","90","","90","","90","","238.328","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Se Sm -","- Se Sm -","- Se4 Sm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008722","6.594","","6.594","","6.594","","90","","90","","90","","286.713","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Sm Te -","- Sm Te -","- Sm4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008723","5.681","","5.681","","5.681","","90","","90","","90","","183.347","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Sn -","- As Sn -","- As4 Sn4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008724","6.13","","6.13","","6.13","","90","","90","","90","","230.346","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Sb Sn -","- Sb Sn -","- Sb4 Sn4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008725","6.02","","6.02","","6.02","","90","","90","","90","","218.167","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Se Sn -","- Se Sn -","- Se4 Sn4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008726","6.313","","6.313","","6.313","","90","","90","","90","","251.598","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Sn Te -","- Sn Te -","- Sn4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008727","5.1602","","5.1602","","5.1602","","90","","90","","90","","137.404","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O Sr -","- O Sr -","- O4 Sr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008728","6.0198","","6.0198","","6.0198","","90","","90","","90","","218.145","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- S Sr -","- S Sr -","- S4 Sr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008729","6.23","","6.23","","6.23","","90","","90","","90","","241.804","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Se Sr -","- Se Sr -","- Se4 Sr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008730","6.47","","6.47","","6.47","","90","","90","","90","","270.84","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Sr Te -","- Sr Te -","- Sr4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008731","4.454","","4.454","","4.454","","90","","90","","90","","88.359","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Tantalcarbide","- C Ta -","- C Ta -","- C4 Ta4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008732","4.422","","4.422","","4.422","","90","","90","","90","","86.468","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O Ta -","- O Ta -","- O4 Ta4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008733","5.827","","5.827","","5.827","","90","","90","","90","","197.85","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Tb -","- As Tb -","- As4 Tb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008734","6.28","","6.28","","6.28","","90","","90","","90","","247.673","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi Tb -","- Bi Tb -","- Bi4 Tb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008735","4.933","","4.933","","4.933","","90","","90","","90","","120.042","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N Tb -","- N Tb -","- N4 Tb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008736","5.688","","5.688","","5.688","","90","","90","","90","","184.026","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- P Tb -","- P Tb -","- P4 Tb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008737","5.516","","5.516","","5.516","","90","","90","","90","","167.831","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- S Tb -","- S Tb -","- S4 Tb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008738","6.181","","6.181","","6.181","","90","","90","","90","","236.144","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Sb Tb -","- Sb Tb -","- Sb4 Tb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008739","5.741","","5.741","","5.741","","90","","90","","90","","189.218","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Se Tb -","- Se Tb -","- Se4 Tb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008740","6.102","","6.102","","6.102","","90","","90","","90","","227.204","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Tb Te -","- Tb Te -","- Tb4 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008741","5.972","","5.972","","5.972","","90","","90","","90","","212.99","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Th -","- As Th -","- As4 Th4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008742","5.338","","5.338","","5.338","","90","","90","","90","","152.102","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- C Th -","- C Th -","- C4 Th4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008743","5.818","","5.818","","5.818","","90","","90","","90","","196.934","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- P Th -","- P Th -","- P4 Th4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008744","5.682","","5.682","","5.682","","90","","90","","90","","183.444","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- S Th -","- S Th -","- S4 Th4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008745","6.318","","6.318","","6.318","","90","","90","","90","","252.196","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Sb Th -","- Sb Th -","- Sb4 Th4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008746","5.875","","5.875","","5.875","","90","","90","","90","","202.779","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Se Th -","- Se Th -","- Se4 Th4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008747","4.3186","","4.3186","","4.3186","","90","","90","","90","","80.543","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- C Ti -","- C Ti -","- C4 Ti4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008748","4.235","","4.235","","4.235","","90","","90","","90","","75.956","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008749","4.1766","","4.1766","","4.1766","","90","","90","","90","","72.857","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O Ti -","- O Ti -","- O4 Ti4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008750","5.711","","5.711","","5.711","","90","","90","","90","","186.267","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Tm -","- As Tm -","- As4 Tm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008751","4.809","","4.809","","4.809","","90","","90","","90","","111.215","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N Tm -","- N Tm -","- N4 Tm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008752","6.083","","6.083","","6.083","","90","","90","","90","","225.089","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Sb Tm -","- Sb Tm -","- Sb4 Tm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008753","6.042","","6.042","","6.042","","90","","90","","90","","220.568","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Te Tm -","- Te Tm -","- Te4 Tm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008754","5.766","","5.766","","5.766","","90","","90","","90","","191.701","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As U -","- As U -","- As4 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008755","6.364","","6.364","","6.364","","90","","90","","90","","257.745","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi U -","- Bi U -","- Bi4 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008756","4.9591","","4.9591","","4.9591","","90","","90","","90","","121.958","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- C U -","- C U -","- C4 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008757","4.884","","4.884","","4.884","","90","","90","","90","","116.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N U -","- N U -","- N4 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008758","4.92","","4.92","","4.92","","90","","90","","90","","119.095","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O U -","- O U -","- O4 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008759","5.589","","5.589","","5.589","","90","","90","","90","","174.583","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- P U -","- P U -","- P4 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008760","5.484","","5.484","","5.484","","90","","90","","90","","164.927","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- S U -","- S U -","- S4 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008761","6.191","","6.191","","6.191","","90","","90","","90","","237.292","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Sb U -","- Sb U -","- Sb4 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008762","5.75","","5.75","","5.75","","90","","90","","90","","190.109","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Se U -","- Se U -","- Se4 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008763","6.163","","6.163","","6.163","","90","","90","","90","","234.087","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Te U -","- Te U -","- Te4 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008764","4.182","","4.182","","4.182","","90","","90","","90","","73.14","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- C V -","- C V -","- C4 V4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008765","4.128","","4.128","","4.128","","90","","90","","90","","70.343","","","","","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Uakitite","- N V -","- N V -","- N4 V4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008766","4.062","","4.062","","4.062","","90","","90","","90","","67.022","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O V -","- O V -","- O4 V4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008767","5.786","","5.786","","5.786","","90","","90","","90","","193.703","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Y -","- As Y -","- As4 Y4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008768","4.877","","4.877","","4.877","","90","","90","","90","","116","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N Y -","- N Y -","- N4 Y4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008769","6.095","","6.095","","6.095","","90","","90","","90","","226.423","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Te Y -","- Te Y -","- Te4 Y4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008770","5.698","","5.698","","5.698","","90","","90","","90","","184.998","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- As Yb -","- As Yb -","- As4 Yb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008771","4.7852","","4.7852","","4.7852","","90","","90","","90","","109.572","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N Yb -","- N Yb -","- N4 Yb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008772","4.86","","4.86","","4.86","","90","","90","","90","","114.791","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O Yb -","- O Yb -","- O4 Yb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008773","5.922","","5.922","","5.922","","90","","90","","90","","207.685","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Sb Yb -","- Sb Yb -","- Sb4 Yb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008774","5.867","","5.867","","5.867","","90","","90","","90","","201.952","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Se Yb -","- Se Yb -","- Se4 Yb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008775","6.353","","6.353","","6.353","","90","","90","","90","","256.411","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Te Yb -","- Te Yb -","- Te4 Yb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008776","4.65","","4.65","","4.65","","90","","90","","90","","100.545","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B Zr -","- B Zr -","- B4 Zr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008777","4.6828","","4.6828","","4.6828","","90","","90","","90","","102.687","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- C Zr -","- C Zr -","- C4 Zr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008778","4.61","","4.61","","4.61","","90","","90","","90","","97.972","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N Zr -","- N Zr -","- N4 Zr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008779","4.62","","4.62","","4.62","","90","","90","","90","","98.611","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O Zr -","- O Zr -","- O4 Zr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008780","5.27","","5.27","","5.27","","90","","90","","90","","146.363","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- P Zr -","- P Zr -","- P4 Zr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008781","5.25","","5.25","","5.25","","90","","90","","90","","144.703","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- S Zr -","- S Zr -","- S4 Zr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008782","4.2103","","4.2103","","4.2103","","90","","90","","90","","74.634","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Nb O -","- Nb O -","- Nb3 O3 -","3","0.0625","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample: defective rocksalt structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008783","4.4","","10.82","","3.85","","90","","90","","90","","183.291","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Ge Se -","- Ge Se -","- Ge4 Se4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008784","4.3","","10.44","","3.65","","90","","90","","90","","163.856","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Ge S -","- Ge S -","- Ge4 S4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008785","4.33","","11.18","","3.98","","90","","90","","90","","192.669","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","Herzenbergite","- S Sn -","- S Sn -","- S4 Sn4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008786","4.46","","11.57","","4.19","","90","","90","","90","","216.213","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Se Sn -","- Se Sn -","- Se4 Sn4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008787","4.442","","10.642","","3.94","","90","","90","","90","","186.251","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- In S -","- In S -","- In4 S4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008788","4.286","","4.286","","4.286","","90","","90","","90","","78.733","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Br Cs -","- Br Cs -","- Br Cs -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9008789","4.123","","4.123","","4.123","","90","","90","","90","","70.087","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cl Cs -","- Cl Cs -","- Cl Cs -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9008790","4.5667","","4.5667","","4.5667","","90","","90","","90","","95.237","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cs I -","- Cs I -","- Cs I -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9008791","3.74","","3.74","","3.74","","90","","90","","90","","52.314","","","","256.15","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cl Rb -","- Cl Rb -","- Cl Rb -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure Sample: T = -17 C","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9008792","3.827","","3.827","","3.827","","90","","90","","90","","56.05","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Te Th -","- Te Th -","- Te Th -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008793","3.97","","3.97","","3.97","","90","","90","","90","","62.571","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Br Tl -","- Br Tl -","- Br Tl -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:44",""
"9008794","3.834","","3.834","","3.834","","90","","90","","90","","56.358","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cl Tl -","- Cl Tl -","- Cl Tl -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:44",""
"9008795","4.198","","4.198","","4.198","","90","","90","","90","","73.982","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- I Tl -","- I Tl -","- I Tl -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9008796","3.33","","3.33","","3.33","","90","","90","","90","","36.926","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Cd -","- Ag Cd -","- Ag Cd -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008797","3.731","","3.731","","3.731","","90","","90","","90","","51.937","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Ce -","- Ag Ce -","- Ag Ce -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008798","3.76","","3.76","","3.76","","90","","90","","90","","53.157","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag La -","- Ag La -","- Ag La -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008799","3.28","","3.28","","3.28","","90","","90","","90","","35.288","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Mg -","- Ag Mg -","- Ag Mg -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008800","3.156","","3.156","","3.156","","90","","90","","90","","31.435","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Zn -","- Ag Zn -","- Ag Zn -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008801","3.73","","3.73","","3.73","","90","","90","","90","","51.895","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Al Nd -","- Al Nd -","- Al Nd -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008802","2.881","","2.881","","2.881","","90","","90","","90","","23.913","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Al Ni -","- Al Ni -","- Al Ni -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008803","3.34","","3.34","","3.34","","90","","90","","90","","37.26","","","","673.15","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Cd -","- Au Cd -","- Au Cd -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure Sample: T = 400 C","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008804","3.259","","3.259","","3.259","","90","","90","","90","","34.614","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Mg -","- Au Mg -","- Au Mg -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008805","3.19","","3.19","","3.19","","90","","90","","90","","32.462","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Zn -","- Au Zn -","- Au Zn -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008806","2.606","","2.606","","2.606","","90","","90","","90","","17.698","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Be Co -","- Be Co -","- Be Co -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008807","2.698","","2.698","","2.698","","90","","90","","90","","19.639","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Be Cu -","- Be Cu -","- Be Cu -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008808","2.813","","2.813","","2.813","","90","","90","","90","","22.259","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Be Pd -","- Be Pd -","- Be Pd -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008809","3.847","","3.847","","3.847","","90","","90","","90","","56.933","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ca Tl -","- Ca Tl -","- Ca Tl -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9008810","3.86","","3.86","","3.86","","90","","90","","90","","57.512","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cd Ce -","- Cd Ce -","- Cd Ce -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008811","3.9","","3.9","","3.9","","90","","90","","90","","59.319","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cd La -","- Cd La -","- Cd La -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008812","3.82","","3.82","","3.82","","90","","90","","90","","55.743","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cd Pr -","- Cd Pr -","- Cd Pr -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008813","2.988","","2.988","","2.988","","90","","90","","90","","26.677","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","Skaergaardite","- Cu Pd -","- Cu Pd -","- Cu Pd -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008814","2.945","","2.945","","2.945","","90","","90","","90","","25.542","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cu Zn -","- Cu Zn -","- Cu Zn -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008815","3.168","","3.168","","3.168","","90","","90","","90","","31.795","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Li -","- Ag Li -","- Ag Li -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008816","3.287","","3.287","","3.287","","90","","90","","90","","35.514","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hg Li -","- Hg Li -","- Hg Li -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008817","3.424","","3.424","","3.424","","90","","90","","90","","40.142","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Li Tl -","- Li Tl -","- Li Tl -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008818","3.898","","3.898","","3.898","","90","","90","","90","","59.228","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ce Mg -","- Ce Mg -","- Ce Mg -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008819","3.44","","3.44","","3.44","","90","","90","","90","","40.708","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hg Mg -","- Hg Mg -","- Hg Mg -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008820","3.965","","3.965","","3.965","","90","","90","","90","","62.335","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- La Mg -","- La Mg -","- La Mg -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008821","3.88","","3.88","","3.88","","90","","90","","90","","58.411","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Pr -","- Mg Pr -","- Mg Pr -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008822","3.9","","3.9","","3.9","","90","","90","","90","","59.319","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Sr -","- Mg Sr -","- Mg Sr -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9008823","3.628","","3.628","","3.628","","90","","90","","90","","47.753","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Tl -","- Mg Tl -","- Mg Tl -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9008824","4.024","","4.024","","4.024","","90","","90","","90","","65.159","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Sr Tl -","- Sr Tl -","- Sr Tl -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9008825","3.98","","3.98","","3.98","","90","","90","","90","","63.045","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Br Tl -","- Br Tl -","- Br Tl -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9008826","3.7","","3.7","","3.7","","90","","90","","90","","50.653","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ce Zn -","- Ce Zn -","- Ce Zn -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008827","3.75","","3.75","","3.75","","90","","90","","90","","52.734","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- La Zn -","- La Zn -","- La Zn -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008828","3.67","","3.67","","3.67","","90","","90","","90","","49.431","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pr Zn -","- Pr Zn -","- Pr Zn -","1","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008829","6.473","","6.473","","6.473","","90","","90","","90","","271.217","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ag I -","- Ag I -","- Ag4 I4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008830","5.62","","5.62","","5.62","","90","","90","","90","","177.504","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Al As -","- Al As -","- Al4 As4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008831","5.451","","5.451","","5.451","","90","","90","","90","","161.968","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Al P -","- Al P -","- Al4 P4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008832","6.1347","","6.1347","","6.1347","","90","","90","","90","","230.877","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Al Sb -","- Al Sb -","- Al4 Sb4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008833","4.777","","4.777","","4.777","","90","","90","","90","","109.01","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- As B -","- As B -","- As4 B4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008834","3.615","","3.615","","3.615","","90","","90","","90","","47.242","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","Qingsongite","- B N -","- B N -","- B4 N4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008835","4.538","","4.538","","4.538","","90","","90","","90","","93.453","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- B P -","- B P -","- B4 P4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008836","4.85","","4.85","","4.85","","90","","90","","90","","114.084","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Be S -","- Be S -","- Be4 S4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008837","5.07","","5.07","","5.07","","90","","90","","90","","130.324","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Be Se -","- Be Se -","- Be4 Se4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008838","5.54","","5.54","","5.54","","90","","90","","90","","170.031","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Be Te -","- Be Te -","- Be4 Te4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008840","6.48","","6.48","","6.48","","90","","90","","90","","272.098","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd Te -","- Cd Te -","- Cd4 Te4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008841","5.6905","","5.6905","","5.6905","","90","","90","","90","","184.269","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Br Cu -","- Br Cu -","- Br4 Cu4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008842","5.4057","","5.4057","","5.4057","","90","","90","","90","","157.963","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","Nantokite","- Cl Cu -","- Cl Cu -","- Cl4 Cu4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008843","4.255","","4.255","","4.255","","90","","90","","90","","77.037","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cu F -","- Cu F -","- Cu4 F4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008844","6.0427","","6.0427","","6.0427","","90","","90","","90","","220.644","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","Marshite","- Cu I -","- Cu I -","- Cu4 I4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008845","5.6537","","5.6537","","5.6537","","90","","90","","90","","180.717","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- As Ga -","- As Ga -","- As4 Ga4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008846","5.4505","","5.4505","","5.4505","","90","","90","","90","","161.923","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ga P -","- Ga P -","- Ga4 P4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008847","6.118","","6.118","","6.118","","90","","90","","90","","228.996","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ga Sb -","- Ga Sb -","- Ga4 Sb4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008848","5.8517","","5.8517","","5.8517","","90","","90","","90","","200.376","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","Metacinnabar","- Hg S -","- Hg S -","- Hg4 S4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008850","6.429","","6.429","","6.429","","90","","90","","90","","265.724","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","Coloradoite","- Hg Te -","- Hg Te -","- Hg4 Te4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008851","6.036","","6.036","","6.036","","90","","90","","90","","219.911","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- As In -","- As In -","- As4 In4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008852","5.8687","","5.8687","","5.8687","","90","","90","","90","","202.128","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- In P -","- In P -","- In4 P4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008853","6.4782","","6.4782","","6.4782","","90","","90","","90","","271.871","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- In Sb -","- In Sb -","- In4 Sb4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008854","5.6","","5.6","","5.6","","90","","90","","90","","175.616","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","Browneite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008855","5.82","","5.82","","5.82","","90","","90","","90","","197.137","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Mn Se -","- Mn Se -","- Mn4 Se4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008856","4.348","","4.348","","4.348","","90","","90","","90","","82.199","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- C Si -","- C Si -","- C4 Si4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008857","5.6676","","5.6676","","5.6676","","90","","90","","90","","182.053","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","Stilleite","- Se Zn -","- Se Zn -","- Se4 Zn4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008858","6.089","","6.089","","6.089","","90","","90","","90","","225.755","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Te Zn -","- Te Zn -","- Te4 Zn4 -","4","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ZnS structure, sphalerite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008859","4.58","","4.58","","7.494","","90","","90","","120","","136.137","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Iodargyrite","- Ag I -","- Ag I -","- Ag2 I2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:44",""
"9008860","3.111","","3.111","","4.978","","90","","90","","120","","41.724","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Al N -","- Al N -","- Al2 N2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008861","2.698","","2.698","","4.38","","90","","90","","120","","27.611","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Bromellite","- Be O -","- Be O -","- Be2 O2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008862","4.1348","","4.1348","","6.749","","90","","90","","120","","99.926","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Greenockite","- Cd S -","- Cd S -","- Cd2 S2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008863","4.3","","4.3","","7.02","","90","","90","","120","","112.41","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Cadmoselite","- Cd Se -","- Cd Se -","- Cd2 Se2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008864","4.06","","4.06","","6.66","","90","","90","","120","","95.073","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Br Cu -","- Br Cu -","- Br2 Cu2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008865","3.91","","3.91","","6.42","","90","","90","","120","","85","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Cl Cu -","- Cl Cu -","- Cl2 Cu2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008866","2.893","","2.893","","4.614","","90","","90","","120","","33.443","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Cu H -","- Cu H -","- Cu2 H2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008867","4.31","","4.31","","7.09","","90","","90","","120","","114.059","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Cu I -","- Cu I -","- Cu2 I2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008868","3.18","","3.18","","5.166","","90","","90","","120","","45.242","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ga N -","- Ga N -","- Ga2 N2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008869","3.533","","3.533","","5.693","","90","","90","","120","","61.54","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- In N -","- In N -","- In2 N2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008870","4.52","","4.52","","7.33","","90","","90","","120","","129.691","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Mg Te -","- Mg Te -","- Mg2 Te2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008871","3.976","","3.976","","6.432","","90","","90","","120","","88.058","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Rambergite","- Mn S -","- Mn S -","- Mn2 S2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008872","4.12","","4.12","","6.72","","90","","90","","120","","98.786","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Mn Se -","- Mn Se -","- Mn2 Se2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008873","4.087","","4.087","","6.701","","90","","90","","120","","96.935","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Mn Te -","- Mn Te -","- Mn2 Te2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008874","3.017","","3.017","","5.58","","90","","90","","120","","43.986","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- N Nb -","- N Nb -","- N2 Nb2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008875","3.076","","3.076","","5.048","","90","","90","","120","","41.364","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Moissanite","- C Si -","- C Si -","- C2 Si2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008876","3.05","","3.05","","4.94","","90","","90","","120","","39.798","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- N Ta -","- N Ta -","- N2 Ta2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008877","3.2495","","3.2495","","5.2069","","90","","90","","120","","47.615","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Zincite","- O Zn -","- O Zn -","- O2 Zn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008878","3.811","","3.811","","6.234","","90","","90","","120","","78.411","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Wurtzite-2H","- S Zn -","- S Zn -","- S2 Zn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008879","3.98","","3.98","","6.53","","90","","90","","120","","89.58","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Se Zn -","- Se Zn -","- Se2 Zn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008880","4.27","","4.27","","6.99","","90","","90","","120","","110.373","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Te Zn -","- Te Zn -","- Te2 Zn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: wurtzite structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008881","6.471","","8.253","","8.526","","90","","90","","90","","455.332","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Cd Sb -","- Cd Sb -","- Cd8 Sb8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008882","6.218","","7.741","","8.115","","90","","90","","90","","390.604","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Sb Zn -","- Sb Zn -","- Sb8 Zn8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008883","4.314","","4.314","","5.512","","90","","90","","120","","88.838","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Yuanjiangite","- Au Sn -","- Au Sn -","- Au2 Sn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008884","3.367","","3.367","","5.16","","90","","90","","120","","50.66","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Jaipurite","- Co S -","- Co S -","- Co2 S2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008885","3.866","","3.866","","5.188","","90","","90","","120","","67.151","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Co Sb -","- Co Sb -","- Co2 Sb2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008886","3.6294","","3.6294","","5.3006","","90","","90","","120","","60.468","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Freboldite","- Co Se -","- Co Se -","- Co2 Se2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008887","3.886","","3.886","","5.36","","90","","90","","120","","70.097","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Co Te -","- Co Te -","- Co2 Te2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008888","3.448","","3.448","","5.754","","90","","90","","120","","59.243","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Cr S -","- Cr S -","- Cr2 S2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008889","4.108","","4.108","","5.44","","90","","90","","120","","79.504","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Cr Sb -","- Cr Sb -","- Cr2 Sb2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008890","3.684","","3.684","","6.019","","90","","90","","120","","70.745","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Cr Se -","- Cr Se -","- Cr2 Se2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008891","3.981","","3.981","","6.211","","90","","90","","120","","85.246","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Cr Te -","- Cr Te -","- Cr2 Te2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008892","4.19","","4.19","","5.086","","90","","90","","120","","77.328","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Sorosite","- Cu Sn -","- Cu Sn -","- Cu2 Sn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008893","3.43","","3.43","","5.68","","90","","90","","120","","57.872","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Fe S -","- Fe S -","- Fe2 S2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008894","4.06","","4.06","","5.13","","90","","90","","120","","73.232","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Fe Sb -","- Fe Sb -","- Fe2 Sb2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008895","3.637","","3.637","","5.958","","90","","90","","120","","68.252","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Achavalite","- Fe Se -","- Fe Se -","- Fe2 Se2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008896","3.8","","3.8","","5.651","","90","","90","","120","","70.668","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Fe Te -","- Fe Te -","- Fe2 Te2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008897","3.939","","3.939","","5.386","","90","","90","","120","","72.372","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ir Te -","- Ir Te -","- Ir2 Te2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008898","3.71","","3.71","","5.691","","90","","90","","120","","67.837","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- As Mn -","- As Mn -","- As2 Mn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008899","4.3","","4.3","","6.12","","90","","90","","120","","97.998","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Bi Mn -","- Bi Mn -","- Bi2 Mn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008900","4.12","","4.12","","5.784","","90","","90","","120","","85.026","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Mn Sb -","- Mn Sb -","- Mn2 Sb2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008901","4.1429","","4.1429","","6.7031","","90","","90","","120","","99.636","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Mn Te -","- Mn Te -","- Mn2 Te2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008902","3.602","","3.602","","5.009","","90","","90","","120","","56.282","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Nickeline","- As Ni -","- As Ni -","- As2 Ni2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008903","3.94","","3.94","","5.14","","90","","90","","120","","69.101","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Breithauptite","- Ni Sb -","- Ni Sb -","- Ni2 Sb2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008904","3.6613","","3.6613","","5.3562","","90","","90","","120","","62.181","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Sederholmite","- Ni Se -","- Ni Se -","- Ni2 Se2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008905","4.048","","4.048","","5.123","","90","","90","","120","","72.7","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ni Sn -","- Ni Sn -","- Ni2 Sn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008906","3.957","","3.957","","5.354","","90","","90","","120","","72.601","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Imgreite","- Ni Te -","- Ni Te -","- Ni2 Te2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008907","4.07","","4.07","","5.582","","90","","90","","120","","80.077","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Sudburyite","- Pd Sb -","- Pd Sb -","- Pd2 Sb2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008908","4.378","","4.378","","5.627","","90","","90","","120","","93.403","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Pd Sn -","- Pd Sn -","- Pd2 Sn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008909","4.1521","","4.1521","","5.6719","","90","","90","","120","","84.683","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Kotulskite","- Pd Te -","- Pd Te -","- Pd2 Te2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008910","3.358","","3.358","","4.058","","90","","90","","120","","39.628","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- B Pt -","- B Pt -","- B2 Pt2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008911","4.315","","4.315","","5.49","","90","","90","","120","","88.525","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Bi Pt -","- Bi Pt -","- Bi2 Pt2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008912","4.13","","4.13","","5.472","","90","","90","","120","","80.831","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Stumpflite","- Pt Sb -","- Pt Sb -","- Pt2 Sb2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008913","4.103","","4.103","","5.428","","90","","90","","120","","79.136","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Niggliite","- Pt Sn -","- Pt Sn -","- Pt2 Sn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008914","4.094","","4.094","","5.663","","90","","90","","120","","82.2","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Bi Rh -","- Bi Rh -","- Bi2 Rh2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008915","4.34","","4.34","","5.555","","90","","90","","120","","90.614","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Rh Sn -","- Rh Sn -","- Rh2 Sn2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:00",""
"9008916","3.99","","3.99","","5.66","","90","","90","","120","","78.036","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Rh Te -","- Rh Te -","- Rh2 Te2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:01",""
"9008917","4.122","","4.122","","6.735","","90","","90","","120","","99.102","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Sc Te -","- Sc Te -","- Sc2 Te2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:02",""
"9008918","3.3","","3.3","","6.44","","90","","90","","120","","60.736","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- S Ti -","- S Ti -","- S2 Ti2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:16",""
"9008919","3.559","","3.559","","6.22","","90","","90","","120","","68.23","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Se Ti -","- Se Ti -","- Se2 Ti2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:19",""
"9008920","3.834","","3.834","","6.39","","90","","90","","120","","81.346","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Te Ti -","- Te Ti -","- Te2 Ti2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:32",""
"9008921","3.18","","3.18","","6.22","","90","","90","","120","","54.472","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- P V -","- P V -","- P2 V2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:56:43",""
"9008922","3.36","","3.36","","5.813","","90","","90","","120","","56.834","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- S V -","- S V -","- S2 V2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:57:16",""
"9008923","3.58","","3.58","","5.977","","90","","90","","120","","66.341","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Se V -","- Se V -","- Se2 V2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:57:58",""
"9008924","3.942","","3.942","","6.126","","90","","90","","120","","82.441","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Te V -","- Te V -","- Te2 V2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:58:21",""
"9008925","3.953","","3.953","","6.647","","90","","90","","120","","89.952","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Te Zr -","- Te Zr -","- Te2 Zr2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:58:42",""
"9008926","6.397","","6.267","","3.421","","90","","90","","90","","137.148","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Au Ga -","- Au Ga -","- Au4 Ga4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:59:04",""
"9008927","5.869","","5.292","","3.458","","90","","90","","90","","107.401","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","Modderite","- As Co -","- As Co -","- As4 Co4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:59:17",""
"9008928","5.599","","5.076","","3.281","","90","","90","","90","","93.248","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Co P -","- Co P -","- Co4 P4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:59:47",""
"9008929","6.222","","5.741","","3.486","","90","","90","","90","","124.522","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- As Cr -","- As Cr -","- As4 Cr4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:00:12",""
"9008930","5.94","","5.366","","3.13","","90","","90","","90","","99.766","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Cr P -","- Cr P -","- Cr4 P4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:00:25",""
"9008931","6.028","","5.439","","3.373","","90","","90","","90","","110.588","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:00:35",""
"9008932","5.793","","5.187","","3.093","","90","","90","","90","","92.939","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Fe P -","- Fe P -","- Fe4 P4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:00:52",""
"9008933","6.281","","5.611","","3.49","","90","","90","","90","","122.997","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Ge Ir -","- Ge Ir -","- Ge4 Ir4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:01:05",""
"9008934","5.916","","5.26","","3.173","","90","","90","","90","","98.738","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Mn P -","- Mn P -","- Mn4 P4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:01:31",""
"9008935","5.811","","5.381","","3.428","","90","","90","","90","","107.19","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Ge Ni -","- Ge Ni -","- Ge4 Ni4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:01:46",""
"9008936","6.259","","5.782","","3.481","","90","","90","","90","","125.976","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Ge Pd -","- Ge Pd -","- Ge4 Pd4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:01:55",""
"9008937","6.133","","5.599","","3.381","","90","","90","","90","","116.099","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Pd Si -","- Pd Si -","- Pd4 Si4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:02:10",""
"9008938","6.32","","6.13","","3.87","","90","","90","","90","","149.93","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Pd Sn -","- Pd Sn -","- Pd4 Sn4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:02:19",""
"9008939","6.088","","5.732","","3.701","","90","","90","","90","","129.152","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Ge Pt -","- Ge Pt -","- Ge4 Pt4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:02:33",""
"9008940","5.932","","5.595","","3.603","","90","","90","","90","","119.582","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Pt Si -","- Pt Si -","- Pt4 Si4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:02:45",""
"9008941","6.48","","5.7","","3.25","","90","","90","","90","","120.042","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Ge Rh -","- Ge Rh -","- Ge4 Rh4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:02:57",""
"9008942","6.333","","5.952","","3.876","","90","","90","","90","","146.102","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Rh Sb -","- Rh Sb -","- Rh4 Sb4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:03:00",""
"9008943","6.219","","5.717","","3.238","","90","","90","","90","","115.124","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- P W -","- P W -","- P4 W4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:03:11",""
"9008944","4.053","","5.495","","2.946","","90","","90","","90","","65.611","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- B Fe -","- B Fe -","- B4 Fe4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:03:14",""
"9008945","3.948","","5.243","","3.037","","90","","90","","90","","62.864","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- B Co -","- B Co -","- B4 Co4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:03:39",""
"9008946","4.56","","6.12","","3.06","","90","","90","","90","","85.396","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- B Ti -","- B Ti -","- B4 Ti4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:03:54",""
"9008947","2.925","","7.396","","2.966","","90","","90","","90","","64.164","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- B Ni -","- B Ni -","- B4 Ni4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:04:29",""
"9008948","2.969","","7.858","","2.932","","90","","90","","90","","68.405","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- B Cr -","- B Cr -","- B4 Cr4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:04:48",""
"9008949","5.79","","5.24","","10.7","","90","","117.4","","90","","288.215","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- As Li -","- As Li -","- As8 Li8 -","8","2","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:04:59",""
"9008950","6.8","","6.34","","12.48","","90","","117.6","","90","","476.811","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Na Sb -","- Na Sb -","- Na8 Sb8 -","8","2","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:05:17",""
"9008951","7.18","","6.97","","13.4","","90","","115.1","","90","","607.272","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- K Sb -","- K Sb -","- K8 Sb8 -","8","2","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:05:21",""
"9008952","8.02","","8.02","","7","","90","","90","","90","","450.243","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Se Tl -","- Se Tl -","- Se8 Tl8 -","8","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:05:39",""
"9008953","3.105","","3.105","","16.97","","90","","90","","90","","163.608","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- B Mo -","- B Mo -","- B8 Mo8 -","8","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:05:42",""
"9008954","3.115","","3.115","","16.93","","90","","90","","90","","164.276","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- B W -","- B W -","- B8 W8 -","8","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:05:56",""
"9008955","3.975","","3.975","","5.023","","90","","90","","90","","79.367","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- O Pb -","- O Pb -","- O2 Pb2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample known as red plumbous oxide","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:00",""
"9008956","3.802","","3.802","","4.836","","90","","90","","90","","69.905","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- O Sn -","- O Sn -","- O2 Sn2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:11",""
"9008957","5.005","","5.005","","4.771","","90","","90","","90","","119.514","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Bi In -","- Bi In -","- Bi2 In2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:15",""
"9008958","3.546","","3.546","","4.334","","90","","90","","90","","54.496","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- H Li O -","- H Li O -","- H2 Li2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:24",""
"9008959","3.55","","3.55","","6.31","","90","","90","","90","","79.522","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- S Zr -","- S Zr -","- S2 Zr2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:26",""
"9008960","5.891","","4.775","","5.489","","90","","90","","90","","154.403","","","","","","","","","","","","","2","P b m a","-P 2a 2ab","57","","","","- O Pb -","- O Pb -","- O4 Pb4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample known as yellow plumbous oxide","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:44",""
"9008961","4.653","","3.41","","5.108","","90","","99.48","","90","","79.94","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","Tenorite","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008962","5.852","","3.478","","5.495","","90","","107.5","","90","","106.665","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Ag O -","- Ag O -","- Ag4 O4 -","4","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008963","6.4287","","6.4287","","6.6082","","90","","90","","90","","273.105","","","","","","","","","","","","","2","P 42/m","-P 4c","84","","","","- Pd S -","- Pd S -","- Pd8 S8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008964","6.72","","6.72","","6.9","","90","","90","","90","","311.593","","","","","","","","","","","","","2","P 42/m","-P 4c","84","","","","- Pd S -","- Pd S -","- Pd8 S8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008966","3.585","","3.585","","15.5","","90","","90","","120","","172.52","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ga S -","- Ga S -","- Ga4 S4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008967","4.05","","4.05","","16.93","","90","","90","","120","","240.49","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- In Se -","- In Se -","- In4 Se4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008968","3.742","","3.742","","15.919","","90","","90","","120","","193.043","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ga Se -","- Ga Se -","- Ga4 Se4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008969","3.513","","3.513","","11.75","","90","","90","","120","","125.581","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Badengzhuite","- P Ti -","- P Ti -","- P4 Ti4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008970","3.804","","3.804","","12.867","","90","","90","","120","","161.246","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- As Zr -","- As Zr -","- As4 Zr4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008971","3.21","","3.21","","11.2","","90","","90","","120","","99.944","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C S Ti2 -","- C S Ti2 -","- C2 S2 Ti4 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008972","3.396","","3.396","","12.11","","90","","90","","120","","120.951","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C S Zr2 -","- C S Zr2 -","- C2 S2 Zr4 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008973","3.325","","3.325","","11.38","","90","","90","","90","","125.813","","","","","","","","","","","","","2","I 41 2 2","I 4bw 2bw","98","","","","- Nb P -","- Nb P -","- Nb4 P4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: beta form","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008974","3.33","","3.33","","11.39","","90","","90","","90","","126.303","","","","","","","","","","","","","2","I 41 2 2","I 4bw 2bw","98","","","","- P Ta -","- P Ta -","- P4 Ta4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: beta form","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008975","5.191","","5.191","","2.908","","90","","90","","120","","67.862","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- N Ta -","- N Ta -","- N3 Ta3 -","3","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008976","4.991","","4.991","","2.879","","90","","90","","120","","62.108","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- O Ti2 -","- O1.5 Ti3 -","- O1.5 Ti3 -","1","0.0416667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008977","3.66","","3.66","","10.9","","90","","90","","90","","146.012","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- F Hg -","- F Hg -","- F4 Hg4 -","4","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008978","4.478","","4.478","","10.91","","90","","90","","90","","218.773","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","Calomel","- Cl Hg -","- Cl Hg -","- Cl4 Hg4 -","4","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008979","4.65","","4.65","","11.1","","90","","90","","90","","240.01","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","Kuzminite","- Br Hg -","- Br Hg -","- Br4 Hg4 -","4","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008980","4.933","","4.933","","11.633","","90","","90","","90","","283.083","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Hg I -","- Hg I -","- Hg4 I4 -","4","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008981","4.582","","12.92","","5.251","","90","","90","","90","","310.856","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- I Tl -","- I Tl -","- I4 Tl4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008982","4.46","","12.39","","4.73","","90","","90","","90","","261.377","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Br In -","- Br In -","- Br4 In4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008983","4.75","","12.76","","4.91","","90","","90","","90","","297.595","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- I In -","- I In -","- I4 In4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008984","6.52","","8.73","","3.73","","90","","90","","90","","212.31","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- C Li N -","- C Li N -","- C4 Li4 N4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Lithium cyanide","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008985","3.851","","3.851","","6.861","","90","","90","","90","","101.75","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ca Cl -","- Ca Cl -","- Ca2 Cl2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008986","4.35","","4.35","","13.73","","90","","90","","90","","259.806","","","","","","","","","","","","","2","P 42/n c m :2","-P 4ac 2ac","138","","","","- Au I -","- Au I -","- Au4 I4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008987","3.142","","3.142","","7.65","","90","","90","","120","","65.404","","","","","","","","","","","","","2","P -6","P -6","174","","","","- Li2 O2 -","- Li2 O2 -","- Li4 O4 -","2","0.333333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Lithium peroxide","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008988","6.208","","6.208","","4.46","","90","","90","","120","","148.857","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","","","- Na2 O2 -","- Na2 O2 -","- Na6 O6 -","3","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sodium peroxide","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008989","6.736","","7.001","","6.479","","90","","90","","90","","305.541","","","","","","","","","","","","","2","C m c e","-C 2ac 2","64","","","","- K2 O2 -","- K2 O2 -","- K8 O8 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Potassium peroxide","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008990","4.201","","7.075","","5.983","","90","","90","","90","","177.827","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- O2 Rb2 -","- O2 Rb2 -","- O4 Rb4 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Rubidium peroxide","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008991","4.322","","7.517","","6.43","","90","","90","","90","","208.901","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Cs2 O2 -","- Cs2 O2 -","- Cs4 O4 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Cesium peroxide","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008992","12.6","","4.38","","11.9","","90","","119.5","","90","","571.595","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Cl I -","- Cl I -","- Cl8 I8 -","8","2","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Iodine monochloride","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008994","8.75","","7.16","","8.65","","90","","87.5","","90","","541.407","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- N S -","- N S -","- N16 S16 -","16","4","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008995","8.09","","8.09","","5.45","","90","","90","","90","","356.692","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","","","- B Cl -","- B Cl -","- B8 Cl8 -","8","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008996","13.64","","7.85","","12.91","","90","","90","","90","","1382.32","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- B Cl -","- B Cl -","- B32 Cl32 -","32","8","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008997","2.50399","","2.50399","","6.6612","","90","","90","","120","","36.17","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- B N -","- B N -","- B2 N2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008998","5.376","","5.376","","5.376","","90","","90","","90","","155.374","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Am O2 -","- Am O2 -","- Am4 O8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008999","6","","6","","6","","90","","90","","90","","216","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Al2 Au -","- Al2 Au -","- Al8 Au4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009000","6.063","","6.063","","6.063","","90","","90","","90","","222.876","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Au Ga2 -","- Au Ga2 -","- Au4 Ga8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009001","6.502","","6.502","","6.502","","90","","90","","90","","274.879","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Au In2 -","- Au In2 -","- Au4 In8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009002","6.656","","6.656","","6.656","","90","","90","","90","","294.876","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Au Sb2 -","- Au Sb2 -","- Au4 Sb8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009003","7.34","","7.34","","7.34","","90","","90","","90","","395.447","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ba Cl2 -","- Ba Cl2 -","- Ba4 Cl8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009004","6.2001","","6.2001","","6.2001","","90","","90","","90","","238.34","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Frankdicksonite","- Ba F2 -","- Ba F2 -","- Ba4 F8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009005","5.46295","","5.46295","","5.46295","","90","","90","","90","","163.035","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Fluorite","- Ca F2 -","- Ca F2 -","- Ca4 F8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009006","5.388","","5.388","","5.388","","90","","90","","90","","156.417","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cd F2 -","- Cd F2 -","- Cd4 F8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009007","5.59","","5.59","","5.59","","90","","90","","90","","174.677","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ce H2 -","- Ce H2 -","- Ce4 H8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009008","5.411","","5.411","","5.411","","90","","90","","90","","158.428","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Cerianite","- Ce O2 -","- Ce O2 -","- Ce4 O8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009009","5.372","","5.372","","5.372","","90","","90","","90","","155.027","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cm O2 -","- Cm O2 -","- Cm4 O8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009010","5.356","","5.356","","5.356","","90","","90","","90","","153.646","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Co Si2 -","- Co Si2 -","- Co4 Si8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009011","5.201","","5.201","","5.201","","90","","90","","90","","140.689","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Dy H2 -","- Dy H2 -","- Dy4 H8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009012","5.123","","5.123","","5.123","","90","","90","","90","","134.454","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Er H2 -","- Er H2 -","- Er4 H8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009013","5.796","","5.796","","5.796","","90","","90","","90","","194.709","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Eu F2 -","- Eu F2 -","- Eu4 F8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009014","6.378","","6.378","","6.378","","90","","90","","90","","259.45","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ge Mg2 -","- Ge Mg2 -","- Ge4 Mg8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009015","5.303","","5.303","","5.303","","90","","90","","90","","149.13","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Gd H2 -","- Gd H2 -","- Gd4 H8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009016","5.115","","5.115","","5.115","","90","","90","","90","","133.825","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Hf O2 -","- Hf O2 -","- Hf4 O8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009017","5.54","","5.54","","5.54","","90","","90","","90","","170.031","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- F2 Hg -","- F2 Hg -","- F8 Hg4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009018","5.165","","5.165","","5.165","","90","","90","","90","","137.788","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H2 Ho -","- H2 Ho -","- H8 Ho4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009019","6.338","","6.338","","6.338","","90","","90","","90","","254.599","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ir Sn2 -","- Ir Sn2 -","- Ir4 Sn8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009020","5.667","","5.667","","5.667","","90","","90","","90","","181.995","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H2 La -","- H2 La -","- H8 La4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009021","5.033","","5.033","","5.033","","90","","90","","90","","127.491","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H2 Lu -","- H2 Lu -","- H8 Lu4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009022","4.563","","4.563","","4.563","","90","","90","","90","","95.006","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H2 Nb -","- H2 Nb -","- H8 Nb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009023","5.47","","5.47","","5.47","","90","","90","","90","","163.667","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H2 Nd -","- H2 Nd -","- H8 Nd4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009024","5.395","","5.395","","5.395","","90","","90","","90","","157.027","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni Si2 -","- Ni Si2 -","- Ni4 Si8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009025","5.4341","","5.4341","","5.4341","","90","","90","","90","","160.466","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Np O2 -","- Np O2 -","- Np4 O8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009026","5.505","","5.505","","5.505","","90","","90","","90","","166.829","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O2 Pa -","- O2 Pa -","- O8 Pa4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009027","5.92732","","5.92732","","5.92732","","90","","90","","90","","208.245","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Fluorocronite","- F2 Pb -","- F2 Pb -","- F8 Pb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009028","6.836","","6.836","","6.836","","90","","90","","90","","319.452","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg2 Pb -","- Mg2 Pb -","- Mg8 Pb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009029","5.687","","5.687","","5.687","","90","","90","","90","","183.929","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O2 Po -","- O2 Po -","- O8 Po4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009030","5.517","","5.517","","5.517","","90","","90","","90","","167.923","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H2 Pr -","- H2 Pr -","- H8 Pr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009031","5.4694","","5.4694","","5.4694","","90","","90","","90","","163.613","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O2 Pr -","- O2 Pr -","- O8 Pr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009032","5.91","","5.91","","5.91","","90","","90","","90","","206.425","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Al2 Pt -","- Al2 Pt -","- Al8 Pt4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009033","5.911","","5.911","","5.911","","90","","90","","90","","206.53","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ga2 Pt -","- Ga2 Pt -","- Ga8 Pt4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009034","6.353","","6.353","","6.353","","90","","90","","90","","256.411","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Damiaoite","- In2 Pt -","- In2 Pt -","- In8 Pt4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009035","6.425","","6.425","","6.425","","90","","90","","90","","265.228","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pt Sn2 -","- Pt Sn2 -","- Pt4 Sn8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009036","5.396","","5.396","","5.396","","90","","90","","90","","157.114","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O2 Pu -","- O2 Pu -","- O8 Pu4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009037","6.368","","6.368","","6.368","","90","","90","","90","","258.231","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- F2 Ra -","- F2 Ra -","- F8 Ra4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009038","4.78315","","4.78315","","4.78315","","90","","90","","90","","109.431","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H2 Sc -","- H2 Sc -","- H8 Sc4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009039","6.39","","6.39","","6.39","","90","","90","","90","","260.917","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg2 Si -","- Mg2 Si -","- Mg8 Si4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009040","5.376","","5.376","","5.376","","90","","90","","90","","155.374","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H2 Sm -","- H2 Sm -","- H8 Sm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009041","6.765","","6.765","","6.765","","90","","90","","90","","309.602","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg2 Sn -","- Mg2 Sn -","- Mg8 Sn4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009042","6.9767","","6.9767","","6.9767","","90","","90","","90","","339.586","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cl2 Sr -","- Cl2 Sr -","- Cl8 Sr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009043","5.7996","","5.7996","","5.7996","","90","","90","","90","","195.072","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- F2 Sr -","- F2 Sr -","- F8 Sr4 -","4","0.0208333","","Wyckoff R W G","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9009044","5.246","","5.246","","5.246","","90","","90","","90","","144.373","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H2 Tb -","- H2 Tb -","- H8 Tb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009045","5.22","","5.22","","5.22","","90","","90","","90","","142.237","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O2 Tb -","- O2 Tb -","- O8 Tb4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009046","5.5997","","5.5997","","5.5997","","90","","90","","90","","175.588","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Thorianite","- O2 Th -","- O2 Th -","- O8 Th4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009047","5.09","","5.09","","5.09","","90","","90","","90","","131.872","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H2 Tm -","- H2 Tm -","- H8 Tm4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009048","5.31","","5.31","","5.31","","90","","90","","90","","149.721","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- N2 U -","- N2 U -","- N8 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009049","5.4682","","5.4682","","5.4682","","90","","90","","90","","163.506","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Uraninite","- O2 U -","- O2 U -","- O8 U4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009050","5.199","","5.199","","5.199","","90","","90","","90","","140.527","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- H2 Y -","- H2 Y -","- H8 Y4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009051","5.07","","5.07","","5.07","","90","","90","","90","","130.324","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Cubic zirconia","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009052","4.67","","4.67","","4.67","","90","","90","","90","","101.848","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B Be2 -","- B Be2 -","- B4 Be8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009053","4.33","","4.33","","4.33","","90","","90","","90","","81.183","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- C Be2 -","- C Be2 -","- C4 Be8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009054","5.535","","5.535","","5.535","","90","","90","","90","","169.572","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ir2 P -","- Ir2 P -","- Ir8 P4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009055","6.436","","6.436","","6.436","","90","","90","","90","","266.593","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- K2 O -","- K2 O -","- K8 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009056","7.391","","7.391","","7.391","","90","","90","","90","","403.747","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- K2 S -","- K2 S -","- K8 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009057","7.676","","7.676","","7.676","","90","","90","","90","","452.277","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- K2 Se -","- K2 Se -","- K8 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009058","8.152","","8.152","","8.152","","90","","90","","90","","541.742","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- K2 Te -","- K2 Te -","- K8 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009059","4.619","","4.619","","4.619","","90","","90","","90","","98.547","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009060","5.708","","5.708","","5.708","","90","","90","","90","","185.974","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Li2 S -","- Li2 S -","- Li8 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009061","6.005","","6.005","","6.005","","90","","90","","90","","216.54","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Li2 Se -","- Li2 Se -","- Li8 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009062","6.504","","6.504","","6.504","","90","","90","","90","","275.132","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Li2 Te -","- Li2 Te -","- Li8 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009063","5.55","","5.55","","5.55","","90","","90","","90","","170.954","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Na2 O -","- Na2 O -","- Na8 O4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009064","6.526","","6.526","","6.526","","90","","90","","90","","277.934","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Na2 S -","- Na2 S -","- Na8 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009065","6.809","","6.809","","6.809","","90","","90","","90","","315.682","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Na2 Se -","- Na2 Se -","- Na8 Se4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009066","7.314","","7.314","","7.314","","90","","90","","90","","391.259","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Na2 Te -","- Na2 Te -","- Na8 Te4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009067","6.74","","6.74","","6.74","","90","","90","","90","","306.182","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O Rb2 -","- O Rb2 -","- O4 Rb8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009068","7.65","","7.65","","7.65","","90","","90","","90","","447.697","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Rb2 S -","- Rb2 S -","- Rb8 S4 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009069","5.505","","5.505","","5.505","","90","","90","","90","","166.829","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- P Rh2 -","- P Rh2 -","- P4 Rh8 -","4","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Anti-fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009070","5.696","","5.696","","5.696","","90","","90","","90","","184.803","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- O S Zr -","- O S Zr -","- O4 S4 Zr4 -","4","0.333333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Distorted fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009071","4.051","","4.051","","20.212","","90","","90","","120","","287.253","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- F La O -","- F La O -","- F6 La6 O6 -","6","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Distorted fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009072","4.091","","4.091","","5.852","","90","","90","","90","","97.941","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- F La O -","- F La O -","- F2 La2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Distorted fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009073","4.6951","","4.6951","","3.1796","","90","","90","","90","","70.091","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Co F2 -","- Co F2 -","- Co2 F4 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009074","4.6966","","4.6966","","3.3091","","90","","90","","90","","72.992","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Fe -","- F2 Fe -","- F4 Fe2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009075","4.623","","4.623","","3.052","","90","","90","","90","","65.228","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Sellaite","- F2 Mg -","- F2 Mg -","- F4 Mg2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009076","4.8734","","4.8734","","3.3099","","90","","90","","90","","78.61","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Mn -","- F2 Mn -","- F4 Mn2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009077","4.6506","","4.6506","","3.0836","","90","","90","","90","","66.692","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Ni -","- F2 Ni -","- F4 Ni2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009078","4.931","","4.931","","3.367","","90","","90","","90","","81.868","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Pd -","- F2 Pd -","- F4 Pd2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009079","4.7034","","4.7034","","3.1335","","90","","90","","90","","69.319","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Zn -","- F2 Zn -","- F4 Zn2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009080","4.395","","4.395","","2.859","","90","","90","","90","","55.225","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009081","4.396","","4.396","","2.871","","90","","90","","90","","55.482","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Pyrolusite","- Mn O2 -","- Mn O2 -","- Mn2 O4 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: beta phase of MnO2, rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009082","4.73727","","4.73727","","3.186383","","90","","90","","90","","71.508","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Cassiterite","- O2 Sn -","- O2 Sn -","- O4 Sn2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009083","4.59373","","4.59373","","2.95812","","90","","90","","90","","62.423","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Rutile","- O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009084","6.24","","6.43","","4.2","","90","","90","","90","","168.517","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","Hydrophilite","- Ca Cl2 -","- Ca Cl2 -","- Ca2 Cl4 -","2","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: distorted rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009085","5.974","","6.624","","3.488","","90","","90","","90","","138.026","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Cl2 Cr -","- Cl2 Cr -","- Cl4 Cr2 -","2","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: distorted rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009086","3.785","","3.785","","9.514","","90","","90","","90","","136.3","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","Anatase","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009087","9.184","","5.447","","5.145","","90","","90","","90","","257.38","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","Brookite","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009088","4.805","","4.805","","7.609","","90","","90","","90","","175.677","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","Paratellurite","- O2 Te -","- O2 Te -","- O8 Te4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009089","5.743","","4.517","","5.375","","90","","122.6","","90","","117.466","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 V -","- O2 V -","- O8 V4 -","4","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009090","5.584","","4.842","","5.608","","90","","120.983","","90","","129.993","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","Tugarinovite","- Mo O2 -","- Mo O2 -","- Mo4 O8 -","4","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009091","4.947","","5.951","","5.497","","90","","90","","90","","161.829","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","Scrutinyite","- O2 Pb -","- O2 Pb -","- O8 Pb4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: known as alpha-PbO2","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009092","4.8094","","5.6433","","4.6007","","90","","90","","90","","124.867","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- O2 Re -","- O2 Re -","- O8 Re4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009093","13.71","","13.71","","5.985","","90","","90","","90","","1124.96","","","","","","","","","","","","","2","I 41/a :1","I 4bw -1bw","88","","","","- Nb O2 -","- Nb O2 -","- Nb32 O64 -","32","2","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","288648","2024-01-03","15:45:21",""
"9009094","4.59","","4.54","","3.32","","90","","96.67","","90","","68.716","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- Cu F2 -","- Cu F2 -","- Cu2 F4 -","2","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009095","4.732","","4.718","","3.505","","90","","96.5","","90","","77.748","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- Cr F2 -","- Cr F2 -","- Cr2 F4 -","2","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009096","20.94","","5.93","","3.74","","90","","90","","90","","464.412","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","","","- Ir Se2 -","- Ir Se2 -","- Ir8 Se16 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009097","4.48","","4.48","","6.96","","90","","90","","120","","120.975","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ca I2 -","- Ca I2 -","- Ca I2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009098","3.5844","","3.5844","","4.8962","","90","","90","","120","","54.478","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9009099","3.68","","3.68","","6.12","","90","","90","","120","","71.776","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Br2 Co -","- Br2 Co -","- Br2 Co -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009100","3.96","","3.96","","6.65","","90","","90","","120","","90.311","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Co I2 -","- Co I2 -","- Co I2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009101","3.173","","3.173","","4.64","","90","","90","","120","","40.457","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co H2 O2 -","- Co H2 O2 -","- Co H2 O2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009102","3.74","","3.74","","6.17","","90","","90","","120","","74.741","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Br2 Fe -","- Br2 Fe -","- Br2 Fe -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009103","4.04","","4.04","","6.75","","90","","90","","120","","95.411","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Fe I2 -","- Fe I2 -","- Fe I2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009104","3.258","","3.258","","4.605","","90","","90","","120","","42.331","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Amakinite","- Fe H2 O2 -","- Fe H2 O2 -","- Fe H2 O2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009105","4.13","","4.13","","6.79","","90","","90","","120","","100.3","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ge I2 -","- Ge I2 -","- Ge I2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9009106","3.93","","3.93","","5.393","","90","","90","","120","","72.135","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Shuangfengite","- Ir Te2 -","- Ir Te2 -","- Ir Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009107","3.81","","3.81","","6.26","","90","","90","","120","","78.696","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Br2 Mg -","- Br2 Mg -","- Br2 Mg -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9009108","4.14","","4.14","","6.88","","90","","90","","120","","102.122","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- I2 Mg -","- I2 Mg -","- I2 Mg -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9009109","3.82","","3.82","","6.19","","90","","90","","120","","78.225","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Br2 Mn -","- Br2 Mn -","- Br2 Mn -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009110","4.16","","4.16","","6.82","","90","","90","","120","","102.212","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- I2 Mn -","- I2 Mn -","- I2 Mn -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009111","3.34","","3.34","","4.68","","90","","90","","120","","45.214","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite","- H2 Mn O2 -","- H2 Mn O2 -","- H2 Mn O2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009112","3.117","","3.117","","4.595","","90","","90","","120","","38.662","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Theophrastite","- H2 Ni O2 -","- H2 Ni O2 -","- H2 Ni O2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009113","3.861","","3.861","","5.297","","90","","90","","120","","68.385","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Melonite","- Ni Te2 -","- Ni Te2 -","- Ni Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009114","4.555","","4.555","","6.977","","90","","90","","120","","125.365","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- I2 Pb -","- I2 Pb -","- I2 Pb -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009115","4.0365","","4.0365","","5.1262","","90","","90","","120","","72.333","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Merenskyite","- Pd Te2 -","- Pd Te2 -","- Pd Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009116","4.01","","4.01","","5.201","","90","","90","","120","","72.428","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Moncheite","- Pt Te2 -","- Pt Te2 -","- Pt Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009117","3.724","","3.724","","5.062","","90","","90","","120","","60.796","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Sudovikovite","- Pt Se2 -","- Pt Se2 -","- Pt Se2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009118","3.92","","3.92","","5.41","","90","","90","","120","","71.995","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Rh Te2 -","- Rh Te2 -","- Rh Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009119","4.28","","4.28","","6.71","","90","","90","","120","","106.449","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Si Te2 -","- Si Te2 -","- Si Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009120","3.639","","3.639","","5.868","","90","","90","","120","","67.295","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Berndtite-2T","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009121","3.561","","3.561","","5.875","","90","","90","","120","","64.518","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cl2 Ti -","- Cl2 Ti -","- Cl2 Ti -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009122","4.25","","4.25","","6.54","","90","","90","","120","","102.302","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- I2 Zn -","- I2 Zn -","- I2 Zn -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009123","7.31","","7.31","","5.644","","90","","90","","90","","301.593","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","Anyuiite","- Au Pb2 -","- Au Pb2 -","- Au4 Pb8 -","4","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009124","3.95","","3.95","","18.67","","90","","90","","120","","252.272","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Br2 Cd -","- Br2 Cd -","- Br6 Cd3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009125","3.85","","3.85","","17.46","","90","","90","","120","","224.128","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cd Cl2 -","- Cd Cl2 -","- Cd3 Cl6 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009126","3.544","","3.544","","17.43","","90","","90","","120","","189.59","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cl2 Co -","- Cl2 Co -","- Cl6 Co3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009127","4.256","","4.256","","18.99","","90","","90","","120","","297.892","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cs2 O -","- Cs2 O -","- Cs6 O3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009128","3.579","","3.579","","17.536","","90","","90","","120","","194.529","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","Lawrencite","- Cl2 Fe -","- Cl2 Fe -","- Cl6 Fe3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:44",""
"9009129","3.596","","3.596","","17.589","","90","","90","","120","","196.975","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","Chloromagnesite","- Cl2 Mg -","- Cl2 Mg -","- Cl6 Mg3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009130","3.686","","3.686","","17.47","","90","","90","","120","","205.558","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","Scacchite","- Cl2 Mn -","- Cl2 Mn -","- Cl6 Mn3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009131","3.708","","3.708","","18.3","","90","","90","","120","","217.902","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Br2 Ni -","- Br2 Ni -","- Br6 Ni3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009132","3.543","","3.543","","17.335","","90","","90","","120","","188.45","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cl2 Ni -","- Cl2 Ni -","- Cl6 Ni3 -","3","0.0833333","","Wyckoff R W G","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009133","3.892","","3.892","","19.634","","90","","90","","120","","257.564","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- I2 Ni -","- I2 Ni -","- I6 Ni3 -","3","0.0833333","","Wyckoff R W G","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009134","3.32","","3.32","","18.29","","90","","90","","120","","174.59","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- S2 Ta -","- S2 Ta -","- S6 Ta3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: the gamma phase","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009135","3.92","","3.92","","18.73","","90","","90","","120","","249.253","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Br2 Zn -","- Br2 Zn -","- Br6 Zn3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","303137","2025-11-01","16:23:45",""
"9009136","3.774","","3.774","","17.765","","90","","90","","120","","219.129","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cl2 Zn -","- Cl2 Zn -","- Cl6 Zn3 -","3","0.0833333","","Wyckoff R W G","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009137","4.25","","4.25","","21.5","","90","","90","","120","","336.316","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- I2 Zn -","- I2 Zn -","- I6 Zn3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009138","4.24","","4.24","","13.67","","90","","90","","120","","212.829","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Cd I2 -","- Cd I2 -","- Cd2 I4 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009139","3.66","","3.66","","10.27","","90","","90","","120","","119.142","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Cd Cl H O -","- Cd Cl H O -","- Cd2 Cl2 H2 O2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009140","4.557","","4.557","","13.958","","90","","90","","120","","251.022","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- I2 Pb -","- I2 Pb -","- I4 Pb2 -","2","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009141","4.557","","4.557","","20.937","","90","","90","","120","","376.533","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- I2 Pb -","- I2 Pb -","- I6 Pb3 -","3","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009142","4.557","","4.557","","20.937","","90","","90","","120","","376.533","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- I2 Pb -","- I2 Pb -","- I6 Pb3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009143","4.557","","4.557","","41.874","","90","","90","","120","","753.066","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- I2 Pb -","- I2 Pb -","- I12 Pb6 -","6","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009144","3.1604","","3.1604","","12.295","","90","","90","","120","","106.351","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Molybdenite","- Mo S2 -","- Mo S2 -","- Mo2 S4 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","280","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009145","3.18","","3.18","","12.5","","90","","90","","120","","109.47","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Tungstenite","- S2 W -","- S2 W -","- S4 W2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","280","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009146","3.29","","3.29","","12.97","","90","","90","","120","","121.58","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Se2 W -","- Se2 W -","- Se4 W2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","280","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009147","3.5182","","3.5182","","13.9736","","90","","90","","120","","149.789","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mo Te2 -","- Mo Te2 -","- Mo2 Te4 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","280","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009148","3.16","","3.16","","18.45","","90","","90","","120","","159.552","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","","","- Mo S2 -","- Mo S2 -","- Mo3 S6 -","3","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","280","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009149","5.86","","6.58","","11.33","","90","","90","","90","","436.871","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- Cl H O Zn -","- Cl H O Zn -","- Cl8 H8 O8 Zn8 -","8","1","","Wyckoff R W G","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","282","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009150","5.903","","6.7","","11.86","","90","","90","","90","","469.064","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- Br Co H O -","- Br Co H O -","- Br8 Co8 H8 O8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","282","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009151","5.555","","6.671","","6.127","","90","","114.88","","90","","205.978","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Belloite","- Cl Cu H O -","- Cl Cu H O -","- Cl4 Cu4 H4 O4 -","4","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","282","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009152","4.206","","4.206","","15.692","","90","","90","","120","","240.407","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- F2 O2 U -","- F2 O2 U -","- F6 O6 U3 -","3","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","288","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009153","4.56","","10.7","","2.85","","90","","90","","90","","139.057","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Groutite","- H Mn O2 -","- H Mn O2 -","- H4 Mn4 O8 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","290","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009154","12.4","","3.87","","3.06","","90","","90","","90","","146.843","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","","Lepidocrocite","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","290","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:44",""
"9009155","12.227","","3.7","","2.866","","90","","90","","90","","129.658","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","","Bohmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","290","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009156","13.01","","4.01","","3.24","","90","","90","","90","","169.031","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","","","- H O2 Sc -","- H O2 Sc -","- H4 O8 Sc4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","290","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009157","10.59","","5.256","","2.949","","90","","90","","90","","164.144","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","","Spertiniite","- Cu H2 O2 -","- Cu H2 O2 -","- Cu4 H8 O8 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","290","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009158","4.564","","4.564","","7.428","","90","","90","","90","","154.726","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ba Br H -","- Ba Br H -","- Ba2 Br2 H2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009159","4.408","","4.408","","7.202","","90","","90","","90","","139.938","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ba Cl H -","- Ba Cl H -","- Ba2 Cl2 H2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009160","4.828","","4.828","","7.867","","90","","90","","90","","183.376","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ba H I -","- Ba H I -","- Ba2 H2 I2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009161","3.916","","3.916","","8.077","","90","","90","","90","","123.861","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Bi Br O -","- Bi Br O -","- Bi2 Br2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009162","3.891","","3.891","","7.369","","90","","90","","90","","111.566","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","Bismoclite","- Bi Cl O -","- Bi Cl O -","- Bi2 Cl2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009163","3.748","","3.748","","6.224","","90","","90","","90","","87.432","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","Zavaritskite","- Bi F O -","- Bi F O -","- Bi2 F2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009164","3.985","","3.985","","9.129","","90","","90","","90","","144.971","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Bi I O -","- Bi I O -","- Bi2 I2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009165","3.851","","3.851","","6.861","","90","","90","","90","","101.75","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ca Cl H -","- Ca Cl H -","- Ca2 Cl2 H2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009166","3.858","","3.858","","7.911","","90","","90","","90","","117.749","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Br Ca H -","- Br Ca H -","- Br2 Ca2 H2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009167","4.071","","4.071","","8.941","","90","","90","","90","","148.18","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ca H I -","- Ca H I -","- Ca2 H2 I2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009168","3.893","","3.893","","6.602","","90","","90","","90","","100.056","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Cl Ho O -","- Cl Ho O -","- Cl2 Ho2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009169","4.145","","4.145","","7.359","","90","","90","","90","","126.435","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Br La O -","- Br La O -","- Br2 La2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009170","4.119","","4.119","","6.883","","90","","90","","90","","116.778","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Cl La O -","- Cl La O -","- Cl2 La2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009171","4.144","","4.144","","9.126","","90","","90","","90","","156.718","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- I La O -","- I La O -","- I2 La2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009172","4.017","","4.017","","7.619","","90","","90","","90","","122.942","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Br Nd O -","- Br Nd O -","- Br2 Nd2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009173","4.018","","4.018","","6.782","","90","","90","","90","","109.491","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Cl Nd O -","- Cl Nd O -","- Cl2 Nd2 O2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009174","3.825","","3.825","","6.654","","90","","90","","90","","97.352","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Np O S -","- Np O S -","- Np2 O2 S2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009176","4.106","","4.106","","7.23","","90","","90","","90","","121.892","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","Matlockite","- Cl F Pb -","- Cl F Pb -","- Cl2 F2 Pb2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009177","4.051","","4.051","","6.81","","90","","90","","90","","111.756","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Cl O Pr -","- Cl O Pr -","- Cl2 O2 Pr2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009178","4.022","","4.022","","7.571","","90","","90","","90","","122.472","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Br O Pu -","- Br O Pu -","- Br2 O2 Pu2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009179","4.012","","4.012","","6.792","","90","","90","","90","","109.325","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Cl O Pu -","- Cl O Pu -","- Cl2 O2 Pu2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009180","4.042","","4.042","","9.169","","90","","90","","90","","149.801","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- I O Pu -","- I O Pu -","- I2 O2 Pu2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009181","3.982","","3.982","","6.721","","90","","90","","90","","106.57","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Cl O Sm -","- Cl O Sm -","- Cl2 O2 Sm2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009182","4.254","","4.254","","7.29","","90","","90","","90","","131.924","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Br H Sr -","- Br H Sr -","- Br2 H2 Sr2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009183","4.1","","4.1","","6.961","","90","","90","","90","","117.014","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Cl H Sr -","- Cl H Sr -","- Cl2 H2 Sr2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009184","4.371","","4.371","","8.45","","90","","90","","90","","161.443","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- H I Sr -","- H I Sr -","- H2 I2 Sr2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009185","3.963","","3.963","","6.746","","90","","90","","90","","105.948","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- O S Th -","- O S Th -","- O2 S2 Th2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009186","4.038","","4.038","","7.03","","90","","90","","90","","114.627","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- O Se Th -","- O Se Th -","- O2 Se2 Th2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009187","4.118","","4.118","","7.549","","90","","90","","90","","128.015","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- O Te Th -","- O Te Th -","- O2 Te2 Th2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009188","3.895","","3.895","","9.184","","90","","90","","90","","139.331","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- I O Tm -","- I O Tm -","- I2 O2 Tm2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009189","3.843","","3.843","","6.694","","90","","90","","90","","98.861","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- O S U -","- O S U -","- O2 S2 U2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009190","3.903","","3.903","","6.597","","90","","90","","90","","100.495","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Cl O Y -","- Cl O Y -","- Cl2 O2 Y2 -","2","0.125","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure","Crystal Structures","1963","1","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009191","3.75","","3.3","","7.65","","90","","90","","90","","94.669","","","","","","","","","","","","","3","P m m n :1","P 2 2ab -1ab","59","","","","- Cl Fe O -","- Cl Fe O -","- Cl2 Fe2 O2 -","2","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","296","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009192","4.065","","3.523","","8.08","","90","","90","","90","","115.714","","","","","","","","","","","","","3","P m m n :1","P 2 2ab -1ab","59","","","","- Cl I O -","- Cl I O -","- Cl2 I2 O2 -","2","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","296","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009193","4.049","","3.611","","8.649","","90","","90","","90","","126.457","","","","","","","","","","","","","3","P m m n :1","P 2 2ab -1ab","59","","","","- Br I O -","- Br I O -","- Br2 I2 O2 -","2","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","296","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009194","3.62","","3.61","","7.67","","90","","90","","90","","100.233","","","","","","","","","","","","","3","P m m n :1","P 2 2ab -1ab","59","","","","- Al Cl O -","- Al Cl O -","- Al2 Cl2 O2 -","2","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","296","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009195","9.03","","7.608","","4.525","","90","","90","","90","","310.869","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","Cotunnite","- Cl2 Pb -","- Cl2 Pb -","- Cl8 Pb4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009196","9.466","","8.068","","4.767","","90","","90","","90","","364.064","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Br2 Pb -","- Br2 Pb -","- Br8 Pb4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009197","7.63574","","6.42689","","3.89098","","90","","90","","90","","190.946","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- F2 Pb -","- F2 Pb -","- F8 Pb4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009198","9.7","","7.1","","4.05","","90","","90","","90","","278.923","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Laurionite","- Cl H O Pb -","- Cl H O Pb -","- Cl4 H4 O4 Pb4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009199","10.41","","7.8","","4.19","","90","","90","","90","","340.22","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- H I O Pb -","- H I O Pb -","- H4 I4 O4 Pb4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009200","8.617","","7.263","","4.267","","90","","90","","90","","267.051","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- S2 Th -","- S2 Th -","- S8 Th4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009201","9.064","","7.61","","4.42","","90","","90","","90","","304.879","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Se2 Th -","- Se2 Th -","- Se8 Th4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009202","6.608","","5.646","","3.513","","90","","90","","90","","131.066","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Co2 P -","- Co2 P -","- Co8 P4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009203","6.896","","5.902","","3.859","","90","","90","","90","","157.062","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- P Ru2 -","- P Ru2 -","- P4 Ru8 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009204","10.04","","5.54","","2.939","","90","","90","","90","","163.472","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- P Re2 -","- P Re2 -","- P4 Re8 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009205","9.2","","11.42","","4.3","","90","","90","","90","","451.775","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Br2 Sr -","- Br2 Sr -","- Br8 Sr4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009206","7.343","","6.364","","3.875","","90","","90","","90","","181.082","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- H2 Sr -","- H2 Sr -","- H8 Sr4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009207","6.763","","5.871","","3.561","","90","","90","","90","","141.392","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- D2 Yb -","- D2 Yb -","- D8 Yb4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009208","7.57","","5.44","","4","","90","","90","","90","","164.723","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Ge Rh2 -","- Ge Rh2 -","- Ge4 Rh8 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009209","7.109","","4.918","","3.738","","90","","90","","90","","130.688","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Co2 Si -","- Co2 Si -","- Co8 Si4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009210","7.03","","4.99","","3.72","","90","","90","","90","","130.496","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Ni2 Si -","- Ni2 Si -","- Ni8 Si4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009211","9.027","","6.801","","3.689","","90","","90","","90","","226.477","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- As2 Zr -","- As2 Zr -","- As8 Zr4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","298","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009212","4.325","","12.735","","5.963","","90","","90","","90","","328.435","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Cl2 Hg -","- Cl2 Hg -","- Cl8 Hg4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","306","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009213","4.624","","12.445","","6.798","","90","","90","","90","","391.196","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Br2 Hg -","- Br2 Hg -","- Br16 Hg8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","307","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009214","4.1","","13.17","","6.78","","90","","90","","90","","366.1","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Br Cl Hg -","- Br Cl Hg -","- Br4 Cl4 Hg4 -","4","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","308","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009563","7.72","","7.72","","7.72","","90","","90","","90","","460.1","","","","","","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","Alumopharmacosiderite","- Al4 As3 H34 K O23 -","- Al4 As3 H17.9999 K O23 -","- Al4 As3 H17.9999 K O23 -","1","0.0416667","","Zemann, J.","Formel und strukturtyp des pharmakosiderits","Tschermaks Mineralogische und Petrographische Mitteilungen","1948","1","","1","13","10.1007/BF01130556","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009920","8.4025","","8.4025","","8.4025","","90","","90","","90","","593.233","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Fe2 Ni0.5 O4 Zn0.5 -","- Fe2 Ni0.5 O4 Zn0.5 -","- Fe16 Ni4 O32 Zn4 -","8","0.0416667","","Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M.","X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions","International Journal of Inorganic Materials","1999","1","","187","192","10.1016/S1466-6049(99)00028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009921","8.4426","","8.4426","","8.4426","","90","","90","","90","","601.767","","","","","","","","","","","","","5","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cd0.1 Fe2 Ni0.5 O4 Zn0.4 -","- Cd0.1 Fe2 Ni0.5 O4 Zn0.4 -","- Cd0.8 Fe16 Ni4 O32 Zn3.2 -","8","0.0416667","","Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M.","X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions","International Journal of Inorganic Materials","1999","1","","187","192","10.1016/S1466-6049(99)00028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009922","8.4626","","8.4626","","8.4626","","90","","90","","90","","606.054","","","","","","","","","","","","","5","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cd0.2 Fe2 Ni0.5 O4 Zn0.3 -","- Cd0.2 Fe2 Ni0.5 O4 Zn0.3 -","- Cd1.6 Fe16 Ni4 O32 Zn2.4 -","8","0.0416667","","Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M.","X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions","International Journal of Inorganic Materials","1999","1","","187","192","10.1016/S1466-6049(99)00028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009923","8.5013","","8.5013","","8.5013","","90","","90","","90","","614.407","","","","","","","","","","","","","5","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cd0.3 Fe2 Ni0.5 O4 Zn0.2 -","- Cd0.3 Fe2 Ni0.5 O4 Zn0.2 -","- Cd2.4 Fe16 Ni4 O32 Zn1.6 -","8","0.0416667","","Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M.","X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions","International Journal of Inorganic Materials","1999","1","","187","192","10.1016/S1466-6049(99)00028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009924","8.5203","","8.5203","","8.5203","","90","","90","","90","","618.536","","","","","","","","","","","","","5","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cd0.4 Fe2 Ni0.5 O4 Zn0.1 -","- Cd0.4 Fe2 Ni0.5 O4 Zn0.1 -","- Cd3.2 Fe16 Ni4 O32 Zn0.8 -","8","0.0416667","","Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M.","X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions","International Journal of Inorganic Materials","1999","1","","187","192","10.1016/S1466-6049(99)00028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009925","8.5665","","8.5665","","8.5665","","90","","90","","90","","628.652","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cd0.5 Fe2 Ni0.5 O4 -","- Cd0.5 Fe2 Ni0.5 O4 -","- Cd4 Fe16 Ni4 O32 -","8","0.0416667","","Wolska, E.; Wolski, W.; Piszora, P.; Pietrusik, M.; Subrt, J.; Grygar, T.; Nejezchleba, M.","X-ray powder diffraction and Mossbauer studies on the formation of Cd0.5Ni0.5Fe2O4/Zn0.5Ni0.5Fe2O4 spinel solid solutions","International Journal of Inorganic Materials","1999","1","","187","192","10.1016/S1466-6049(99)00028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9011544","5.903","","6.7","","11.86","","90","","90","","90","","469.064","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- Br H O Zn -","- Br H O Zn -","- Br8 H8 O8 Zn8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","282","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011945","7.91","","7.91","","7.91","","90","","90","","90","","494.914","","","","","","","","","","","","Cornwall, England","4","P -4 3 m","P -4 2 3","215","","","Pharmacosiderite","- As3 Fe4 H18 O23 -","- As3 Fe4 H18 O23 -","- As3 Fe4 H18 O23 -","1","0.0416667","","Zemann, J.","Formel und strukturtyp des pharmakosiderits Note: the K atom could not be located","Tschermaks Mineralogische und Petrographische Mitteilungen","1948","1","","1","13","10.1007/BF01130556","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012091","11.46","","9.57","","4.22","","90","","90.5","","90","","462.799","","","","","","","","","","","","Saimoku, Japan","2","P 1 21/n 1","-P 2yn","14","","","Orpiment","- As2 S3 -","- As2 S3 -","- As8 S12 -","4","1","","Morimoto, N.","The crystal structure of orpiment (As2S3) refined","Mineralogical Journal","1954","1","","160","169","10.2465/minerj1953.1.160","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012122","10.944","","10.944","","23.81","","90","","90","","120","","2469.69","","","","","","","","","","","","Synthetic","1","R -3 m :H","-R 3 2""","166","","","Boron","- B -","- B -","- B315 -","315","8.75","","Hoard, J. L.; Sullenger, D. B.; Kennard, C. H. L.; Hughes, R. E.","The structure analysis of beta-rhombohedral boron","Journal of Solid State Chemistry","1970","1","","268","277","10.1016/0022-4596(70)90022-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012423","5.65","","12.8","","5.65","","90","","80.5","","90","","403.004","","","","","","","","","","","","Harstigen mine, Sweden","5","P 1 21/c 1","-P 2ybc","14","","","Brandtite","- As2 Ca2 H4 Mn O10 -","- As2 Ca2 H4 Mn O10 -","- As4 Ca4 H8 Mn2 O20 -","2","0.5","","Dahlman, B.","The crystal structures of krohnkite, CuNa2(SO4)2*2H2O and brandtite, MnCa2(AsO4)2*2H2O Locality: Harstigen mine, Sweden","Arkiv for Mineralogi och Geologi","1952","1","","339","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012424","5.78","","12.58","","5.48","","90","","71.5","","90","","377.873","","","","","","","","","","","","Chuquicamata, Chile","5","P 1 21/c 1","-P 2ybc","14","","","Krohnkite","- Cu H4 Na2 O10 S2 -","- Cu H4 Na2 O10 S2 -","- Cu2 H8 Na4 O20 S4 -","2","0.5","","Dahlman, B.","The crystal structures of krohnkite, CuNa2(SO4)2*2H2O and brandtite, MnCa2(AsO4)2*2H2O Locality: Chuquicamata, Chile","Arkiv for Mineralogi och Geologi","1952","1","","339","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012741","6.59","","8.403","","10.43","","90","","104.2","","90","","559.922","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Carnotite","- K O6 U V -","- K O6 U V -","- K4 O24 U4 V4 -","4","1","","Sundberg, I.; Sillen, L. G.","On the crystal structure of KUO2VO4 (synthetic anhydrous carnotite)","Arkiv for Kemi","1949","1","","337","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012780","9.066","","12.13","","6.149","","90","","104.4","","90","","654.965","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Cyanochroite","- Cu H12 K2 O14 S2 -","- Cu H12 K2 O14 S2 -","- Cu2 H24 K4 O28 S4 -","2","0.5","","Robinson, D. J.; Kennard, C. H. L.","Potassium hexa-aquacopper(II) sulfate, CuH12K2O14S2 (neutron)","Crystal Structure Communications","1972","1","","185","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012853","11.1","","11.1","","11.1","","90","","90","","90","","1367.63","","","","","","","","","","","","Synthetic","2","F d -3 m :1","F 4d 2 3 -1d","227","","","Senarmontite","- O3 Sb2 -","- O3 Sb2 -","- O48 Sb32 -","16","0.0833333","","Zav'yalova, A. A.; Imamov, R. M.","About the structure of the cubic modification of Sb2O3 Note: y(O) and z(O) corrected","Soviet Journal of Coordination Chemistry","1975","1","","1186","1188","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012889","6.6213","","7.5506","","17.3806","","114.267","","82.684","","94.576","","785.349","","","","","","","","","","","","Apollo 11 microgabbro sample 10047, Mare Tranquillitatis, Moon","4","P -1","-P 1","2","","","Pyroxferroite","- Ca0.94 Fe6.06 O21 Si7 -","- Ca0.94 Fe6.06 O21 Si7 -","- Ca1.88 Fe12.12 O42 Si14 -","2","1","","Burnham, C. W.","The crystal structure of pyroxferroite from Mare Tranquillitatis","Proceedings of the Second Lunar Science Conference","1971","1","","47","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013998","4.558","","4.558","","4.558","","90","","90","","90","","94.694","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Lebech, B.; Bernhard, J.; Freltoft, T.","Magnetic structures of cubic FeGe studied by small-angle neutron scattering","Journal of Physics: Condensed Matter","1989","1","","6105","6122","10.1088/0953-8984/1/35/010","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014166","9.212","","9.212","","9.187","","90","","90","","120","","675.169","","","","","","","","","","","","Synthetic","4","P 6/m c c","-P 6 2c","192","","","Beryl","- Al2 Be3 O18 Si6 -","- Al2 Be3 O18 Si6 -","- Al4 Be6 O36 Si12 -","2","0.0833333","","Gibbs, G. V.; Breck, D. W.; Meagher, E. P.","Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: anhydrous beryl","Lithos","1968","1","","275","285","10.1016/S0024-4937(68)80044-1","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014478","7.459","","5.034","","15.27","","90","","107.33","","90","","547.339","","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","","- Li Nb3 O8 -","- Li Nb3 O8 -","- Li4 Nb12 O32 -","4","1","","Gatehouse, B. M.; Leverett, P.","Lithium triniobate(V), LiNb3O8 Note: isostructural with lithiotantite","Crystal Structure Communications","1972","1","","83","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:45",""
"9015083","4.68","","5.66","","4.92","","90","","89.67","","90","","130.323","","","","","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- Mg W -","- Mg W -","- Mg2 W2 -","2","0.5","","Broch, E.","Untersuchungen ueber Kristallstrukturen des Wolframittypus und des Scheelittypus _cod_database_code 1010642","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo","1929","1","","1","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015519","2.725","","2.725","","5.202","","90","","90","","90","","38.628","","","","","","","","","","","","Luobusha, Tibet","2","P 4/m m m","-P 4 2","123","","","Linzhiite","- Fe Si2 -","- Fe Si2 -","- Fe Si2 -","1","0.0625","","Li, G.; Shi, N.; Xiong, M.; Ma, Z.; Bai, W.; Fang, Q.","X-ray diffraction investigation of native Si-Fe alloy minerals from Luobusha, Tibet","Frontiers of Earth Science in China","2007","1","","21","25","10.1007/s11707-007-0003-8","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015655","9.214","","9.214","","9.218","","90","","90","","120","","677.741","","","","","","","","","","","","Synthetic","6","P 6/m c c","-P 6 2c","192","","","Beryl","- Al1.9 Be3 Cr0.1 H2 O19 Si6 -","- Al1.9 Be3 Cr0.1 H2 O19 Si6 -","- Al3.8 Be6 Cr0.2 H4 O38 Si12 -","2","0.0833333","","Gibbs, G. V.; Breck, D. W.; Meagher, E. P.","Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: hydrous emerald","Lithos","1968","1","","275","285","10.1016/S0024-4937(68)80044-1","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015660","6.32","","7.5","","57.8","","90","","94","","90","","2733.05","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Umohoite","- H8 Mo O10 U -","- H8 Mo O10 U -","- H128 Mo16 O160 U16 -","16","4","","Makarov, E. S.; Anikina, L. I.","Crystal structure of umohoite (UMoO6(H2O)2)*2H2O","Geochemistry","1963","1","","14","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015680","9.219","","9.219","","9.198","","90","","90","","120","","677.005","","","","","","","","","","","","Synthetic","5","P 6/m c c","-P 6 2c","192","","","Beryl","- Al1.9 Be3 Cr0.1 O18 Si6 -","- Al1.9 Be3 Cr0.1 O18 Si6 -","- Al3.8 Be6 Cr0.2 O36 Si12 -","2","0.0833333","","Gibbs, G. V.; Breck, D. W.; Meagher, E. P.","Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: anhydrous emerald","Lithos","1968","1","","275","285","10.1016/S0024-4937(68)80044-1","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9016091","9.213","","9.213","","9.206","","90","","90","","120","","676.712","","","","","","","","","","","","Synthetic","5","P 6/m c c","-P 6 2c","192","","","Beryl","- Al2 Be3 H2 O19 Si6 -","- Al2 Be3 H2 O19 Si6 -","- Al4 Be6 H4 O38 Si12 -","2","0.0833333","","Gibbs, G. V.; Breck, D. W.; Meagher, E. P.","Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: hydrous beryl","Lithos","1968","1","","275","285","10.1016/S0024-4937(68)80044-1","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017207","6.992","","6.999","","6.24","","90","","90","","90","","305.367","","","","","","","","","","","","Leopoldshall, East Germany","3","B m m b","-B 2b 2","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Hartman, P.","On the unit cell dimensions and bond lengths of anhydrite Note: this is a re-indexed structure of Hawthorne and Ferguson (1975)","European Journal of Mineralogy","1989","1","","721","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017386","9.963","","10.4348","","4.7044","","90","","90","","90","","489.078","","","","","","","","","","","","Khibiny massif, Kola Peninsula, Russia","4","P 21 21 21","P 2ac 2ab","19","","","Lisitsynite","- B K O6 Si2 -","- B K O6 Si2 -","- B4 K4 O24 Si8 -","4","1","","Sokolova, E. V.; Uvarova Yu, A.; Hawthorne, F. C.; Khomyakov, A. P.","First edition. A A Balkema, Rotterdam, Netherlands Crystal chemistry of a novel zeolite mineral from the Kbibiny Alkaline Massif, Kolal Peninsula","Applied Mineralogy in Research, Economy, Technology, and Culture","2000","1","","254","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017442","8.578","","12.978","","7.204","","90","","116.02","","90","","720.699","","","","","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample ORMA, X-Ray diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017443","8.543","","13.019","","7.183","","90","","115.99","","90","","718.11","","","","","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SVG1, neutron diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017444","8.543","","13.019","","7.183","","90","","115.99","","90","","718.11","","","","","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAGA, X-ray diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017445","8.543","","13.019","","7.183","","90","","115.99","","90","","718.11","","","","","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANU, neutron diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017446","8.543","","13.019","","7.183","","90","","115.99","","90","","718.11","","","","923.15","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample STOT, T = 650 C, X-ray diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017447","8.544","","13.026","","7.18","","90","","115.97","","90","","718.402","","","","1023.15","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SATO, T = 750 C, X-ray diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017448","8.545","","13.026","","7.179","","90","","115.97","","90","","718.386","","","","1123.15","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANG, T = 850 C, nuetron diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017449","8.545","","13.026","","7.179","","90","","115.97","","90","","718.386","","","","1123.15","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAND, T = 850 C, X-ray diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017450","8.545","","13.026","","7.179","","90","","115.97","","90","","718.386","","","","1323.15","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAAT, T = 1050 C, X-ray diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017451","8.546","","13.033","","7.176","","90","","115.97","","90","","718.556","","","","1223.15","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SVG3, T = 950 C, neutron diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017452","8.546","","13.033","","7.176","","90","","115.97","","90","","718.556","","","","1223.15","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANI, T = 950 C, X-ray diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017453","8.546","","13.033","","7.176","","90","","115.97","","90","","718.556","","","","1323.15","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAGT, T = 1050 C, neutron diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017454","8.546","","13.033","","7.176","","90","","115.97","","90","","718.556","","","","1323.15","","","","","","","","Madagascar","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Gering, E.","Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANN, T = 1050 C, X-ray diffraction","Dissertation Kernforshungszentrum Karlsruhe","1985","1","","1","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017905","8.0004","","5.1487","","14.7501","","90","","92.908","","90","","606.799","","","","232","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Allantoin","- C4 H6 N4 O3 -","- C4 H6 N4 O3 -","- C16 H24 N16 O12 -","4","1","","Xu, B.; Sung, C.; Han, B.","Crystal structure characterization of natural allantoin from edible lichen Umbilicaria esculenta Note: T = 232 K","Crystals","2011","1","","128","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""