# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-06-30T22:07:23+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 125 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
"1000061","5.062","0.001","8.671","0.002","4.713","0.001","90","","90.27","0.03","90","","206.9","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Aluminium hydroxide","Bayerite","- Al H3 O3 -","- Al H3 O3 -","- Al4 H12 O12 -","4","1","","Rothbauer, R; Zigan, F; O'Daniel, H","Verfeinerung der Struktur des Bayerits, Al (O H)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","125","","317","331","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1004115","5.754","0.001","5.754","0.001","13.267","0.003","90","","90","","120","","380.4","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lead vanadium oxide (1/6/11)","","- O11 Pb V6 -","- O11 Pb V6 -","- O22 Pb2 V12 -","2","0.166667","","Mentre, O; Abraham, F","New mixed valence compounds in the Pb - V - O system synthesis and crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type hexagonal ferrite Pb V6 O11","Journal of Solid State Chemistry","1996","125","","91","101","10.1006/jssc.1996.0269","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004119","10.108","0.003","9.887","0.003","2.903","0.001","90","","90","","90.84","","290.1","","","","","","","","","","","","","3","I 1 1 2/m","-I 2","12","","Lead vanadium oxide (1.32/8.35/16)","","- O16 Pb1.32 V8.35 -","- O16 Pb1.32 V8.348 -","- O16 Pb1.32 V8.348 -","1","0.125","","Mentre, O; Abraham, F","New mixed valence compounds in the Pb - V - O system: synthesis and crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type hexagonal ferrite Pb V6 O11","Journal of Solid State Chemistry","1996","125","","91","101","10.1006/jssc.1996.0269","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100015","5.1963","0.0004","5.1963","0.0004","29.97049","0.0016","90","","90","","120","","700.8","","","","","","","","","","","","In granodiorite near Sunrise Copper Prospect, Sultan Basin, Snohomish County, Washington, USA","6","P 31 1 2","P 31 2 (0 0 4)","151","","Potassium aluminium silicate hydroxide *","Muscovite 3T","- Al2.91 Fe0.09 H2 K O12 Si3 -","- Al2.91 Fe0.09 H3 K O12 Si3 -","- Al8.73 Fe0.27 H9 K3 O36 Si9 -","3","0.5","","Güven, N.; Burnham, C. W.","The Crystal Structure of 3T Muscovite","Zeitschrift für Kristallographie","1967","125","","163","183","10.1524/zkri.1967.125.125.163","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100032","2.9809","0.0004","2.9809","0.0004","21.6642","0.0085","90","","90","","120","","170.5","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Titanium nitride (3/1.29) - η","","- N1.29 Ti3 -","- N1.29 Ti3 -","- N3.87 Ti9 -","3","0.0833333","","Lengauer, W.","The crystal structure of η-Ti~3~N~2-x~: An additonal new phase in the Ti-N system","Journal of the Less-Common Metals","1986","125","","127","134","10.1016/0022-5088(86)90087-1","","","","","","0.117","","","","","","","","","","","","","","","has coordinates","189445","2020-10-21","18:00:00",""
"1100336","6.329","0.0001","7.805","0.0001","16.812","0.0001","77.29","0.001","83.14","0.001","78.75","0.001","792.01","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cr N2 O4 -","- C17 H12 Cr N2 O4 -","- C34 H24 Cr2 N4 O8 -","2","1","","Dötz, Karl Heinz; Rau, Alexander; Harms, Klaus","Reaktionen von Komplexliganden, IL. Synthese und Struktur fünf- und sechsgliedriger Aminocarben-C,N-Chelatkomplexe des Chroms","Chemische Berichte","1992","125","9","2137","2142","10.1002/cber.19921250923","","","","","","","","","","","","","","","","","","","","","has coordinates","177571","2020-10-21","18:00:00",""
"1100337","8.37","0.002","15.438","0.003","12.661","0.003","90","","106.43","0.03","90","","1569.2","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Mo N O5 -","- C14 H13 Mo N O5 -","- C56 H52 Mo4 N4 O20 -","4","1","","Dötz, Karl Heinz; Larbig, Harald; Harms, Klaus","Reaktionen von Komplexliganden, LI. Synthese und Reaktionen stabiler (Carben)tetracarbonyl-Chelatkomplexe des Molybdäns","Chemische Berichte","1992","125","9","2143","2148","10.1002/cber.19921250924","","","","","","","","","","","","","","","","","","","","","has coordinates","177605","2020-10-21","18:00:00",""
"1100339","7.815","0.001","14.467","0.003","27.772","0.005","90","","92.175","0.001","90","","3137.63","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 Li3 N6 O8 -","- C27 H35 Li3 N6 O8 -","- C108 H140 Li12 N24 O32 -","4","1","","Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt","Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF}","Chemische Berichte","1992","125","1","87","92","10.1002/cber.19921250114","","","","","","","","","","","","","","","","","","","","","has coordinates","177568","2020-10-21","18:00:00",""
"1100340","7.345","0.001","14.108","0.001","7.785","0.001","90","","95.065","0.004","90","","803.56","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N2 Na O5 -","- C13 H21 N2 Na O5 -","- C26 H42 N4 Na2 O10 -","2","1","","Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt","Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF}","Chemische Berichte","1992","125","1","87","92","10.1002/cber.19921250114","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100341","13.312","0.001","13.874","0.001","15.717","0.001","90","","90","","90","","2902.78","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 N5 Na O -","- C26 H46 N7 Na3 O -","- C104 H184 N28 Na12 O4 -","4","1","","Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt","Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF}","Chemische Berichte","1992","125","1","87","92","10.1002/cber.19921250114","","","","","","","","","","","","","","","","","","","","","has coordinates","177568","2020-10-21","18:00:00",""
"1100346","9.612","0.002","14.335","0.002","9.814","0.002","90","","97.53","0.01","90","","1340.59","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 F6 O6 S2 -","- C8 F6 O6 S2 -","- C32 F24 O24 S8 -","4","1","","Scheuplein, Stefan W.; Harms, Klaus; Brückner, Reinhard; Suffert, Jean","Regiocontrol in Pd(0)-Mediated Couplings of a Bis(enol triflate) with Alkynes ‒ Stereoselective Syntheses of Monocyclic Dienediynes Related to the Neocarzinostatin Chromophore","Chemische Berichte","1992","125","1","271","278","10.1002/cber.19921250143","","","","","","","","","","","","","","","","","","","","","has coordinates","177567","2020-10-21","18:00:00",""
"1100349","15.3","0.003","10.13","0.002","19.369","0.004","90","","109.6","0.03","90","","2828.04","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H44 Li O4 Si -","- C28 H43 Li O4 Si -","- C112 H172 Li4 O16 Si4 -","4","1","","Boche, Gernot; Opel, Achim; Marsch, Michael; Harms, Klaus; Hallera, Friederike; Lohrenz, John C. W.; Thümmler, Christina; Koch, Wolfram","α-Oxygen-Substituted Organolithium Compounds and Their Carbenoid Nature: Calculations of the Configurational Stability and of LiCH~2~OH Model Structures, Crystal Structure of Diphenyl(trimethylsilyloxy)methyllithium · 3 THF, and the Stereochemistry of the (Reverse) Brook Rearrangement","Chemische Berichte","1992","125","10","2265","2273","10.1002/cber.19921251015","","","","","","","","","","","","","","","","","","","","","has coordinates","177572","2020-10-21","18:00:00",""
"1100361","25.436","0.005","10.255","0.002","14.294","0.003","90","","113.78","0.03","90","","3411.98","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 N2 O2 Zn2 -","- C72 H92 N4 O4 Zn4 -","- C288 H368 N16 O16 Zn16 -","4","0.5","","Bolm, Carsten; Schlingloff, Gunther; Harms, Klaus","Catalyzed Enantioselective Alkylation of Aldehydes","Chemische Berichte","1992","125","5","1191","1203","10.1002/cber.19921250529","","","","","","","","","","","","","","","","","","","","","has coordinates","177569","2020-10-21","18:00:00",""
"1101222","16.7942","0.0001","16.7942","0.0001","16.7942","0.0001","90","","90","","90","","4736.72","0.05","293","2","293","2","","","","","","","","7","P -4 3 n","P -4n 2 3","218","MIL-74","","","- C24 H118 Al6 N16 O65 P12 Zn3 -","- C24 Al6.504 N16 O65 P12 Zn2.496 -","- C48 Al13.008 N32 O130 P24 Zn4.992 -","2","0.0833333","","Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey","Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment","Journal of the American Chemical Society","2003","125","","9102","9110","10.1021/ja0294818","","","0.71073","MoKα","","0.0532","0.0404","","","0.1014","0.1091","","","","","","1.176","","","","has coordinates","277831","2022-09-14","14:31:33",""
"1511319","4.1641","","4.1641","","4.1641","","90","","90","","90","","72.204","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Rh3 Y B","","- B Rh3 Y -","- B Rh3 Y -","- B Rh3 Y -","1","0.0208333","","Yamauchi, H.; Fukase, T.; Takei, H.; Shishido, T.; Kobayashi, N.","Magnetic and superconducting properties of the cubic perovskite Y Rh3 B","Journal of the Less-Common Metals","1986","125","","233","237","10.1016/0022-5088(86)90098-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1522655","7.696","","7.696","","5.902","","90","","90","","90","","349.566","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Hg Th2 -","- Hg Th2 -","- Hg4 Th8 -","4","0.125","","Palenzona, A.","Th2 Hg: another representative of the Cu Al2-type structure","Journal of the Less-Common Metals","1986","125","","5","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522656","4.822","","4.822","","7.438","","90","","90","","120","","149.776","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Hg2 Th -","- Hg2 Th -","- Hg4 Th2 -","2","0.0833333","","Palenzona, A.","Th2 Hg: another representative of the Cu Al2-type structure","Journal of the Less-Common Metals","1986","125","","5","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522657","6.716","","6.716","","4.902","","90","","90","","120","","191.481","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Hg3 Th -","- Hg3 Th -","- Hg6 Th2 -","2","0.0833333","","Palenzona, A.","Th2 Hg: another representative of the Cu Al2-type structure","Journal of the Less-Common Metals","1986","125","","5","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522816","11.24","","11.24","","5.077","","90","","90","","120","","555.483","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ni4 Ti3 -","- Ni4 Ti3 -","- Ni24 Ti18 -","6","0.333333","","Saburi, T.; Nenno, S.; Fukuda, T.","Crystal structure and morphology of the metastable X-phase in shape memory Ti-Ni alloys","Journal of the Less-Common Metals","1986","125","","157","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523161","7.271","","10.578","","8.511","","90","","90.16","","90","","654.601","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- Ir U -","- Ir0.5 U0.5 -","- Ir8 U8 -","16","8","","Siegrist, T.; Dommann, A.; le Page, Y.; Gramlich, V.; Hulliger, F.; Petter, W.","U Ir, a Pd Bi-like distorted Cr B-type structure","Journal of the Less-Common Metals","1986","125","","167","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528026","4.2392","","16.7546","","4.2005","","90","","90","","90","","298.345","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Ge2 Ni -","- Ce Ge2 Ni -","- Ce4 Ge8 Ni4 -","4","0.25","","Schobinger-Papamantellos, P.; Krimmel, A.; Grauel, A.; Buschow, K.H.J.","Magnetic ordering of Nd Ni Ge2 and Ce Ni Ge2 studied by neutron diffraction and magnetic measurements","Journal of Magnetism and Magnetic Materials","1993","125","","151","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530142","4.414","","19.728","","8.904","","90","","90","","90","","775.355","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","K Pb Br3 (H2 O)","","- Br3 H2 K O Pb -","- Br3 K O Pb -","- Br12 K4 O4 Pb4 -","4","0.5","","Keller, H.L.; Jess, I.","Darstellug und Kristallstrukturuntersuchung von K Pb Br3 * H2 O","Journal of the Less-Common Metals","1986","125","","215","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530931","7.255","","9.833","","6.665","","90","","122.74","","90","","399.934","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K4 Na2 (Te O6)","","- K4 Na2 O6 Te -","- K4 Na2 O6 Te -","- K8 Na4 O12 Te2 -","2","0.5","","Untenecker, H.; Hoppe, R.","Neue Oxotellurate(VI): K4 Na2 (Te O6)","Journal of the Less-Common Metals","1986","125","","223","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533198","7.7687","","22.959","","3.8535","","90","","90","","90","","687.316","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Nd2 Ba Cu3 O7.33","","- Ba Cu3 Nd2 O7.33 -","- Ba Cu3 Nd2 O7.33 -","- Ba4 Cu12 Nd8 O29.32 -","4","0.25","","Galez, P.; le Roy, J.; Bertrand, C.; Suard, E.","Neutron powder diffraction study of the Nd (Ba1-x Ndx)2 Cu3 O7+d solid solution","Solid State Communications","2003","125","","89","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534518","14.6765","","8.6049","","13.9572","","90","","120.204","","90","","1523.35","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(N (C H3)4)2 (I O2 F2) (H F2)","","- C8 H25 F4 I N2 O2 -","- C8 H25 F4 I N2 O2 -","- C32 H100 F16 I4 N8 O8 -","4","0.5","","Gerken, M.; Mack, J.P.; Schrobilgen, G.J.D.; Suontamo, R.J.","Synthesis, vibrational and NMR spectroscopic characterization of [N (C H3)4] [I O2 F2] and x-ray crystal structure of [N (C H3)4]2 [I O2 F2] [H F2]","Journal of Fluorine Chemistry","2004","125","","1663","1670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535556","10.349","","10.017","","10.884","","90","","90","","90","","1128.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca (As F3) (As F6)2","","- As3 Ca F15 -","- As3 Ca F15 -","- As12 Ca4 F60 -","4","0.5","","Tramsek, M.; Zemva, B.","Ca (As F3)(As F6)2: the first alkaline earth metal cation coordinated by As F3","Journal of Fluorine Chemistry","2004","125","","1919","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537316","5.568","","8.208","","5.977","","90","","90","","90","","273.162","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cr (V O4)","","- Cr O4 V -","- Cr O4 V -","- Cr4 O16 V4 -","4","0.25","","Frazer, B.C.; Brown, P.J.","Antiferromagnetic structure of Cr V O4 and the anhydrous sulfates of divalent Fe, Ni, and Co","Physical Review, Section A (133,1964-188,1969)","1962","125","","1283","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538607","2.9809","","2.9809","","2.16642","","90","","90","","120","","16.671","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Ni1.29 Ti3","","- N1.29 Ti3 -","- N1.29 Ti3 -","- N3.87 Ti9 -","3","0.0833333","","Lengauer, W.","The crystal structure of eta-Ti3 N2-x: An additional new phase in the Ti - N system","Journal of the Less-Common Metals","1986","125","","127","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","167268","2020-10-21","18:00:00",""
"1538971","4.926","","4.926","","3.98","","90","","90","","120","","83.638","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni5 Sm -","- Ni5 Sm -","- Ni5 Sm -","1","0.0416667","","Pasturel, A.; Achard, J.C.; Allibert, C.; Colinet, C.; Percheron-Guegan, A.; Hicter, P.","A theoretical and experimental study of enthalpies of formation of LaNi5-type compounds","Physica Status Solidi, Sectio B: Basic Research","1984","125","","101","106","10.1002/pssb.2221250110","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540037","8.657","","10.783","","8.893","","90","","90.55","","90","","830.109","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","S Se2 N2 (F3 C) S O3","","- C F3 N2 O3 S2 Se2 -","- C F3 N2 O3 S2 Se2 -","- C4 F12 N8 O12 S8 Se8 -","4","1","","Haas, A.; Kasprowski, J.; Pryka, M.","Synthese, Strukturen und Eigenschaften von Cl2TeSeN2S und (Se2N2S)2(2+) (XSO3(-))2 (X= F, CF3)","Chemische Berichte","1992","125","","789","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1540038","8.432","","7.939","","19.974","","90","","90","","90","","1337.09","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Cl2 Te) S Se N2","","- Cl2 N2 S Se Te -","- Cl2 N2 S Se Te -","- Cl16 N16 S8 Se8 Te8 -","8","1","","Haas, A.; Kasprowski, J.; Pryka, M.","Synthese, Strukturen und Eigenschaften von Cl2 Te Se N2 S und (Se2 N2 S)2(2+) (X S O3(-))2 (X= F, C F3)","Chemische Berichte","1992","125","","789","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540126","43.9969","","3.894","","6.209","","90","","90","","90","","1063.75","","","","","","","","","","","","","2","P m m 2","P 2 -2","25","","Ta2 O5","","- O5 Ta2 -","- O5.00053 Ta2 -","- O60.0064 Ta24 -","12","3","","Hummel, H.U.; Fackler, R.; Remmert, P.","Tantaloxide durch Gasphasenhydrolyse, Druckhydrolyse und Transportreaktion aus 2H-Ta S2: Synthesen von TT-Ta2 O5 und T-Ta2 O5 und Kristallstruktur von T-Ta2 O5","Chemische Berichte","1992","125","","551","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","169313","2020-10-21","18:00:00",""
"1541265","8.318","","5.951","","19.265","","90","","95.3","","90","","949.549","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(N3) (N B9 H11)","","- B9 H11 N4 -","- B9 H11 N4 -","- B36 H44 N16 -","4","1","","Mueller, J.; Paetzold, P.; Englert, U.; Runsink, J.","Neue Wege zum Aza-nido-decaboran-Geruest","Chemische Berichte","1992","125","","97","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1545190","10.65","0.001","10.65","0.001","10.65","0.001","90","","90","","90","","1207.9","0.2","","","1173","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Eu2Zr2O7 at 1173 K","","","- Eu2 O7 Zr2 -","- Eu1.968 O6.996 Zr2.036 -","- Eu15.744 O55.968 Zr16.288 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: Eu2Zr2O7 at 1173 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191200","2020-10-21","18:00:00",""
"1545191","10.546","0.001","10.546","0.001","10.546","0.001","90","","90","","90","","1172.91","0.19","","","298","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Eu2Zr2O7","","","- Eu2 O7 Zr2 -","- Eu1.968 O7 Zr2.036 -","- Eu15.744 O56 Zr16.288 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: Eu2Zr2O7 at 298 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191201","2020-10-21","18:00:00",""
"1545192","10.816","0.001","10.816","0.001","10.816","0.001","90","","90","","90","","1265.3","0.2","","","298","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","La2Zr2O7","","","- La2 O7 Zr2 -","- La2.0604 O6.998 Zr1.94 -","- La16.4832 O55.984 Zr15.52 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: La2Zr2O7 at 298 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191202","2020-10-21","18:00:00",""
"1545193","10.904","0.001","10.904","0.001","10.904","0.001","90","","90","","90","","1296.5","0.2","","","1173","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","La2Zr2O7 at 1173 K","","","- La2 O7 Zr2 -","- La2.0604 O7 Zr1.94 -","- La16.4832 O56 Zr15.52 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: La2Zr2O7 at 1173 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191203","2020-10-21","18:00:00",""
"1545673","13.3231","0.0002","13.3242","0.0002","9.37918","0.00006","90","","90","","90","","1664.99","0.04","","","","","","","","","","","","4","P c c 2","P 2 -2c","27","Sr4Al6O12SO4","","","- Al6 O16 S Sr4 -","- Al6 O16 S Sr4 -","- Al24 O64 S4 Sr16 -","4","1","","Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K.","Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 298 K","Journal of the Ceramic Society of Japan","2017","125","","364","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","194762","2020-10-21","18:00:00",""
"1545674","9.42561","0.00003","9.42561","0.00003","9.42561","0.00003","90","","90","","90","","837.391","0.005","","","","","","","","","","","","4","I 2 3","I 2 2 3","197","Sr4Al6O12SO4 at 573 K","","","- Al6 O16 S Sr4 -","- Al6 O16.208 S Sr4 -","- Al12 O32.416 S2 Sr8 -","2","0.0833333","","Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K.","Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 573 K","Journal of the Ceramic Society of Japan","2017","125","","364","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","194763","2020-10-21","18:00:00",""
"1545676","9.66794","0.00007","8.67141","0.00005","5.29192","0.00004","90","","110.094","0.0006","90","","416.641","0.005","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","LiFeSi2O6","","","- Fe Li O6 Si2 -","- Fe Li O6 Si2 -","- Fe4 Li4 O24 Si8 -","4","0.5","","Ishida, N.; Sakatsume, K.; Kitamura, N.; Idemoto, Y.","Improvement of electrochemical property of pyroxene-type LiFeSi2O6 and crystal-structure analysis","Journal of the Ceramic Society of Japan","2017","125","","281","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","194770","2020-10-21","18:00:00",""
"1545715","12.90227","0.00009","12.90227","0.00009","12.90227","0.00009","90","","90","","90","","2147.82","0.03","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Sn1.5Ta0.5O12","","","- La3 Li6.5 O12 Sn1.5 Ta0.5 -","- La3 Li6.48 O12 Sn1.5 Ta0.5 -","- La24 Li51.84 O96 Sn12 Ta4 -","8","0.0833333","","Hamao, N.; Kataoka, K.; Akimoto, J.","Li-ion conductivity and crystal structure of garnet-type Li6.5La3M1.5Ta0.5O12 (M=Hf,Sn) oxides","Journal of the Ceramic Society of Japan","2017","125","","272","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","195301","2020-10-21","18:00:00",""
"1545716","12.93341","0.00009","12.93341","0.00009","12.93341","0.00009","90","","90","","90","","2163.41","0.03","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Hf1.5Ta0.5O12","","","- Hf1.5 La3 Li6.5 O12 Ta0.5 -","- Hf1.5 La3 Li6.45 O12 Ta0.5 -","- Hf12 La24 Li51.6 O96 Ta4 -","8","0.0833333","","Hamao, N.; Kataoka, K.; Akimoto, J.","Li-ion conductivity and crystal structure of garnet-type Li6.5La3M1.5Ta0.5O12 (M=Hf,Sn) oxides","Journal of the Ceramic Society of Japan","2017","125","","272","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","195302","2020-10-21","18:00:00",""
"1546943","9.4359","0.0008","9.6425","0.0007","3.593","0.0003","90","","90","","90","","326.91","0.05","","","","","","","","","","","","3","B b m m","-B 2 2b","63","Al2TiO5","","","- Al2 O5 Ti -","- Al2 O5 Ti -","- Al8 O20 Ti4 -","4","0.25","","Ohta, Y.; Kawauchi, Y.; Ban, T.","Cation distribution of pseudobrookite-type titanates and their phase stability","Journal of the Ceramic Society of Japan","2017","125","","695","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","200170","2020-10-21","18:00:00",""
"1547847","4.12829","0.00002","4.12829","0.00002","4.12829","0.00002","90","","90","","90","","70.3575","0.0006","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","BaNbO2N","","","- Ba N Nb O2 -","- Ba N0.9999 Nb O2.0001 -","- Ba N0.9999 Nb O2.0001 -","1","0.0208333","","Fujii, K.; Shimada, K.; Yashima, M.","Crystal-structure and electron-density analyses of the perovskite-type oxynitrides BaNbO2N and SrNbO2N through synchrotron X-ray powder diffraction","Journal of the Ceramic Society of Japan","2017","125","","808","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","202475","2020-10-21","18:00:00",""
"1547848","5.71115","0.00004","5.71115","0.00004","8.10243","0.00006","90","","90","","90","","264.279","0.003","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","SrNbO2N","","","- N Nb O2 Sr -","- N0.9999 Nb O2.0001 Sr -","- N3.9996 Nb4 O8.0004 Sr4 -","4","0.125","","Fujii, K.; Shimada, K.; Yashima, M.","Crystal-structure and electron-density analyses of the perovskite-type oxynitrides BaNbO2N and SrNbO2N through synchrotron X-ray powder diffraction","Journal of the Ceramic Society of Japan","2017","125","","808","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","202476","2020-10-21","18:00:00",""
"1547849","10.45","0.0003","10.45","0.0003","10.45","0.0003","90","","90","","90","","1141.17","0.06","","","","","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","Ag0.93TaO2.97 0.94H2O","","","- Ag0.93 H1.88 O3.91 Ta -","- Ag0.92 O4.844 Ta -","- Ag14.72 O77.504 Ta16 -","16","","","Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C.","Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate","Journal of the Ceramic Society of Japan","2017","125","","776","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","202477","2020-10-21","18:00:00",""
"1547850","5.286","0.003","5.286","0.003","5.286","0.003","90","","90","","90","","147.7","0.15","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Ag0.41Nb0.59O1.68","","","- Ag0.41 Nb0.59 O1.68 -","- Ag0.41 Nb0.59 O9.66 -","- Ag1.64 Nb2.36 O38.64 -","4","0.0208333","","Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C.","Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate","Journal of the Ceramic Society of Japan","2017","125","","776","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","202478","2020-10-21","18:00:00",""
"1559931","24.7443","0.0003","24.7443","0.0003","24.7443","0.0003","90","","90","","90","","15150.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.75 -","- O384 Si192 Zn35.776 -","- O384 Si192 Zn35.776 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0659","0.0574","","","0.1602","0.174","","","","","","1.224","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559932","24.7012","0.0003","24.7012","0.0003","24.7012","0.0003","90","","90","","90","","15071.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O394.64 Si192 Zn38.54 -","- O394.656 Si192 Zn38.576 -","- O394.656 Si192 Zn38.576 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0662","0.0605","","","0.1642","0.1685","","","","","","1.199","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559933","24.7342","0.0003","24.7342","0.0003","24.7342","0.0003","90","","90","","90","","15131.9","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn37.08 -","- O384 Si192 Zn37.088 -","- O384 Si192 Zn37.088 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0792","0.0713","","","0.1966","0.2077","","","","","","1.254","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559934","24.7409","0.0003","24.7409","0.0003","24.7409","0.0003","90","","90","","90","","15144.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn36.44 -","- O384 Si192 Zn36.352 -","- O384 Si192 Zn36.352 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0734","0.0649","","","0.1787","0.1979","","","","","","1.288","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559935","24.7367","0.0003","24.7367","0.0003","24.7367","0.0003","90","","90","","90","","15136.5","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn37 -","- O384 Si192 Zn36.848 -","- O384 Si192 Zn36.848 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0877","0.0702","","","0.1929","0.2176","","","","","","1.327","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559936","24.7334","0.0003","24.7334","0.0003","24.7334","0.0003","90","","90","","90","","15130.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.93 -","- O384 Si192 Zn35.888 -","- O384 Si192 Zn35.888 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0796","0.0725","","","0.2099","0.2155","","","","","","1.174","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559937","24.706","0.0003","24.706","0.0003","24.706","0.0003","90","","90","","90","","15080.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O393.88 Si192 Zn37.67 -","- O393.878 Si192 Zn37.68 -","- O393.878 Si192 Zn37.68 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0418","0.0411","","","0.1232","0.1235","","","","","","1.254","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559938","24.7496","0.0003","24.7496","0.0003","24.7496","0.0003","90","","90","","90","","15160.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.51 -","- O384 Si192 Zn35.472 -","- O384 Si192 Zn35.472 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0625","0.0585","","","0.1744","0.178","","","","","","1.203","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559939","24.731","0.0002","24.731","0.0002","24.731","0.0002","90","","90","","90","","15126","0.2","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O389.23 Si192 Zn36.1 -","- O389.251 Si192 Zn36.144 -","- O389.251 Si192 Zn36.144 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.056","0.0525","","","0.1314","0.1382","","","","","","1.249","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559940","24.7323","0.0003","24.7323","0.0003","24.7323","0.0003","90","","90","","90","","15128.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O389.95 Si192 Zn35.28 -","- O389.952 Si192 Zn35.264 -","- O389.952 Si192 Zn35.264 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0649","0.0597","","","0.1809","0.1851","","","","","","1.197","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559941","24.7508","0.0003","24.7508","0.0003","24.7508","0.0003","90","","90","","90","","15162.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn36.19 -","- O384 Si192 Zn36.192 -","- O384 Si192 Zn36.192 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0694","0.064","","","0.1831","0.188","","","","","","1.205","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559942","24.7029","0.0003","24.7029","0.0003","24.7029","0.0003","90","","90","","90","","15074.5","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O393.73 Si192 Zn37.59 -","- O393.744 Si192 Zn37.568 -","- O393.744 Si192 Zn37.568 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0672","0.062","","","0.1882","0.1946","","","","","","1.226","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559943","24.7557","0.0003","24.7557","0.0003","24.7557","0.0003","90","","90","","90","","15171.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.75 -","- O384 Si192 Zn35.68 -","- O384 Si192 Zn35.68 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0634","0.057","","","0.1529","0.1593","","","","","","1.2","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559944","24.743","0.0003","24.743","0.0003","24.743","0.0003","90","","90","","90","","15148.1","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn36.82 -","- O384 Si192 Zn36.8 -","- O384 Si192 Zn36.8 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0725","0.066","","","0.1929","0.1963","","","","","","1.194","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559945","24.7327","0.0003","24.7327","0.0003","24.7327","0.0003","90","","90","","90","","15129.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O389.83 Si192 Zn35.41 -","- O389.818 Si192 Zn35.44 -","- O389.818 Si192 Zn35.44 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0595","0.0561","","","0.1666","0.1728","","","","","","1.204","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1560267","48.002","0.01","35.012","0.007","30.277","0.006","90","","127.84","0.03","90","","40185","2","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C1440 H1104 Ag112 Cl48 F48 P64 Pt8 S48 -","8","1","","Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui","Correlating Kernel–Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters","The Journal of Physical Chemistry C","2021","125","3","2194","2201","10.1021/acs.jpcc.0c10481","","","0.77484","synchrotron","","0.0661","0.0621","","","0.1757","0.1812","","","","","","1.029","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560268","47.8113","0.0013","34.9302","0.001","30.1732","0.0008","90","","127.995","0.001","90","","39711","2","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C1440 H1104 Ag112 Cl48 F48 P64 Pt8 S48 -","8","1","","Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui","Correlating Kernel–Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters","The Journal of Physical Chemistry C","2021","125","3","2194","2201","10.1021/acs.jpcc.0c10481","","","1.54178","CuKα","","0.0582","0.0436","","","0.1128","0.1234","","","","","","1.023","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560269","18.9452","0.001","19.2539","0.0012","20.0639","0.0011","89.647","0.004","67.76","0.003","71.704","0.003","6378.7","0.7","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C216 H140 Ag24 Cl20 F20 P4 Pt S20 -","- C216 H140 Ag24 Cl20 F20 P4 Pt S20 -","- C216 H140 Ag24 Cl20 F20 P4 Pt S20 -","1","0.5","","Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui","Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters","The Journal of Physical Chemistry C","2021","125","3","2194","2201","10.1021/acs.jpcc.0c10481","","","1.54178","CuKα","","0.1495","0.1253","","","0.3288","0.3579","","","","","","1.3425","","","","has coordinates","261493","2021-02-04","02:51:48",""
"1560748","6.966","0.0012","20.504","0.004","11.68","0.002","90","","98.372","0.007","90","","1650.5","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 N4 O2 S -","- C12 H20 Cl2 N4 O2 S -","- C48 H80 Cl8 N16 O8 S4 -","4","1","","Takahashi, Masae; Kowada, Mitsuru; Matsui, Hiroshi; Kwon, Eunsang; Ikemoto, Yuka","Temperature-Dependent Low-Frequency Vibrations of Thiamine Crystal Containing Hydrated Ions.","The journal of physical chemistry. A","2021","125","9","1837","1844","10.1021/acs.jpca.0c09756","","","0.71075","MoKα","","0.0409","0.0355","","","0.0985","0.1024","","","","","","1.051","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1560808","4.5196","0.0002","37.0928","0.0018","7.9294","0.0004","90","","96.848","0.002","90","","1319.84","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N4 O4 -","- C32 H28 N4 O4 -","- C64 H56 N8 O8 -","2","0.5","","Goodlett, Dustin W.; Sindt, Ammon J.; Hossain, Muhammad Saddam; Merugu, Rajkumar; Smith, Mark D.; Garashchuk, Sophya; Gudmundsdottir, Anna D.; Shimizu, Linda S.","From Incident Light to Persistent and Regenerable Radicals of Urea-Assembled Benzophenone Frameworks: A Structural Investigation.","The journal of physical chemistry. A","2021","125","6","1336","1344","10.1021/acs.jpca.0c08953","","x-ray","0.71073","MoKα","","0.0829","0.056","","","0.0983","0.1075","","","","","","1.135","","","","has coordinates","262431","2021-03-04","01:28:19",""
"1560840","16.7002","0.0012","8.989","0.0007","17.8237","0.0014","90","","96.9476","0.0018","90","","2656","0.4","297","","297.41","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C37H25NO","","- C37 H25 N O -","- C37 H25 N O -","- C148 H100 N4 O4 -","4","1","","Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei","Organic Micro-/Nanocrystals of SFX-Based Attractor–Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement","The Journal of Physical Chemistry C","2021","125","11","6249","6259","10.1021/acs.jpcc.0c09702","","x-ray","0.71073","MoKα","","0.0908","0.0578","","","0.1281","0.146","","","","","","1.0314","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1560841","10.445","0.003","11.048","0.003","15.689","0.005","97.771","0.007","96.286","0.008","94.504","0.008","1775","0.9","298.07","","298.07","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H34 N2 O -","- C49 H34 N2 O -","- C98 H68 N4 O2 -","2","1","","Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei","Organic Micro-/Nanocrystals of SFX-Based Attractor–Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement","The Journal of Physical Chemistry C","2021","125","11","6249","6259","10.1021/acs.jpcc.0c09702","","","0.71073","MoKα","","0.1437","0.0963","","","0.1939","0.2079","","","","","","1.163","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1561001","9.1686","0.0005","11.5792","0.0006","25.431","0.002","90","","90","","90","","2699.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N6 O9 -","- C28 H24 N6 O9 -","- C112 H96 N24 O36 -","4","1","","Saha, Monochura; Bandyopadhyay, Subhajit","Stimuli Responsive Stable Radical Anion for Conductance Switching","The Journal of Physical Chemistry C","2021","125","11","6427","6432","10.1021/acs.jpcc.1c00230","","x-ray","0.71073","MoKα","","0.0529","0.0463","","","0.1251","0.1299","","","","","","1.106","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1561127","5.4858","0.0004","5.4827","0.0004","7.81681","0.00015","90","","90.123","0.004","90","","235.11","0.02","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Pr W -","- Na Ni O6 Pr W -","- Na2 Ni2 O12 Pr2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.6316","6.8077","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561128","5.45987","0.0001","5.4814","0.0001","7.81308","0.00011","90","","90.164","0.002","90","","233.827","0.007","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Nd Ni O6 W -","- Na Nd Ni O6 W -","- Na2 Nd2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.7979","5.9408","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561129","5.37618","0.00008","5.48688","0.00009","7.78128","0.00012","90","","90.2441","0.0009","90","","229.534","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Gd Na Ni O6 W -","- Gd Na Ni O6 W -","- Gd2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.9224","5.3231","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561130","5.41399","0.00016","5.47939","0.00017","7.7985","0.0002","90","","90.2542","0.0018","90","","231.343","0.012","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Sm W -","- Na Ni O6 Sm W -","- Na2 Ni2 O12 Sm2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","8.0355","4.3695","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561131","5.35966","0.00004","5.48918","0.00005","7.77309","0.00006","90","","90.2581","0.0005","90","","228.683","0.003","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Tb W -","- Na Ni O6 Tb W -","- Na2 Ni2 O12 Tb2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.8667","2.8112","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561132","5.39582","0.00007","5.48536","0.00008","7.79284","0.00011","90","","90.2646","0.0008","90","","230.65","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Eu Na Ni O6 W -","- Eu Na Ni O6 W -","- Eu2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","6.5479","3.2417","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561133","5.5156","0.0008","5.5153","0.0008","7.83952","0.00018","90","","90.137","0.004","90","","238.48","0.05","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- La Na Ni O6 W -","- La Na Ni O6 W -","- La2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.4125","8.8474","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561942","8.4255","0.0005","12.3597","0.0008","13.7917","0.0009","104.032","0.003","98.783","0.003","90.292","0.003","1375.7","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Br N5 O8 Ru S3 -","- C19 H30 Br N5 O8 Ru S3 -","- C38 H60 Br2 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; Velazquez-Garcia, Jose de J.","Nanooptomechanical Transduction in a Single Crystal with 100% Photoconversion","The Journal of Physical Chemistry C","2021","125","16","8907","8915","10.1021/acs.jpcc.1c02457","","","0.71073","MoKα","","0.2339","0.0691","","","0.1403","0.1831","","","","","","0.814","","","","has coordinates,has disorder","264821","2021-05-04","00:50:57",""
"1562381","5.34558","0.00006","5.55762","0.00007","7.87444","0.00007","90","","90.2851","0.0007","90","","233.936","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Lu Mn Na O6 W -","- Lu Mn Na O6 W -","- Lu2 Mn2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","12.3278","10.431","","","","","","","has coordinates","265759","2021-06-04","01:03:15",""
"1562382","5.30219","0.00008","5.50632","0.00008","7.76771","0.00011","90","","90.2633","0.0013","90","","226.78","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Lu Na O6 W -","- Co Lu Na O6 W -","- Co2 Lu2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","6.3328","3.8787","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562383","5.32174","0.00003","5.51366","0.00003","7.77534","0.00003","90","","90.2722","0.0004","90","","228.144","0.002","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Na O6 Tm W -","- Co Na O6 Tm W -","- Co2 Na2 O12 Tm2 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","9.2904","4.8644","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562384","5.31027","0.00006","5.51156","0.00007","7.7711","0.00007","90","","90.2794","0.0007","90","","227.441","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Na O6 W Yb -","- Co Na O6 W Yb -","- Co2 Na2 O12 W2 Yb2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","13.469","5.5987","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562385","5.33407","0.00002","5.51959","0.00002","7.78263","0.00002","90","","90.2676","0.0003","90","","229.133","0.0013","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Er Na O6 W -","- Co Er Na O6 W -","- Co2 Er2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","7.455","3.1487","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562675","11.434","0.004","16.592","0.006","7.918","0.003","90","","101.679","0.004","90","","1471","0.9","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 Br3 N2 Pb -","- C9 H17 Br3 N2 Pb -","- C36 H68 Br12 N8 Pb4 -","4","1","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","","0.71073","MoKα","","0.039","0.025","","","0.0491","0.0525","","","","","","1.047","","","","has coordinates","265760","2021-06-04","01:03:27",""
"1562676","7.941","0.002","9.783","0.003","16.168","0.005","90","","90","","90","","1256","0.6","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 Br3 N2 Pb -","- C6 H12 Br3 N2 Pb -","- C24 H48 Br12 N8 Pb4 -","4","0.5","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","","0.71073","MoKα","","0.0319","0.0254","","","0.0551","0.0576","","","","","","1.076","","","","has coordinates,has disorder","265760","2021-06-04","01:03:27",""
"1562677","17.6424","0.0002","7.7315","0.0001","19.1592","0.0002","90","","90","","90","","2613.36","0.05","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Br3 N2 Pb -","- C7 H12 Br3 N2 Pb -","- C56 H96 Br24 N16 Pb8 -","8","1","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","x-ray","1.54184","CuKα","","0.0408","0.0395","","","0.105","0.106","","","","","","1.067","","","","has coordinates","265760","2021-06-04","01:03:27",""
"1562678","10.2578","0.0008","23.1688","0.0018","7.7621","0.0006","90","","101.481","0.001","90","","1807.8","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H23 Br3 N2 O Pb -","- C10 H23 Br3 N2 O Pb -","- C40 H92 Br12 N8 O4 Pb4 -","4","1","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","","0.71073","MoKα","","0.0734","0.0425","","","0.113","0.1317","","","","","","1.0041","","","","has coordinates","265760","2021-06-04","01:03:27",""
"1562684","7.047","0.0014","8.9611","0.0018","9.4376","0.0019","76.52","0.03","71.24","0.03","86.47","0.03","548.7","0.2","333","2","333","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cl3 N4 O0.6 -","- C24 H20 Cl3 N4 O0.4 -","- C24 H20 Cl3 N4 O0.4 -","1","0.5","","Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul","Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating","The Journal of Physical Chemistry C","2021","125","20","10991","10997","10.1021/acs.jpcc.0c10644","","","0.63","synchrotron","","0.1322","0.075","","","0.2128","0.2513","","","","","","0.998","","","","has coordinates,has disorder","265761","2021-06-04","01:03:34",""
"1562685","7.0475","0.0005","27.97","0.002","11.386","0.0008","90","","102.511","0.004","90","","2191.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Cl1.19 N2 O0.4 -","- C12 H10 Cl1.187 N2 O0.4 -","- C96 H80 Cl9.496 N16 O3.2 -","8","1","","Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul","Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating","The Journal of Physical Chemistry C","2021","125","20","10991","10997","10.1021/acs.jpcc.0c10644","","","0.71073","MoKα","","0.1509","0.0795","","","0.2307","0.2963","","","","","","1.049","","","","has coordinates","265761","2021-06-04","01:03:34",""
"1563145","8.7239","0.0011","8.507","0.007","6.5045","0.0013","90","","90.697","0.016","90","","482.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.1226","0.0865","","","0.2169","0.2619","","","","","","1.105","","","","has coordinates","266973","2021-07-04","01:49:53",""
"1563146","8.327","0.0011","9.205","0.008","8.4719","0.0014","90","","90.299","0.014","90","","649.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.1248","0.083","","","0.1989","0.2502","","","","","","1.052","","","","has coordinates","266973","2021-07-04","01:50:01",""
"1563147","8.8127","0.0009","8.643","0.006","6.5945","0.0015","90","","90.534","0.011","90","","502.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.1189","0.0939","","","0.2495","0.2946","","","","","","1.143","","","","has coordinates","266973","2021-07-04","01:50:01",""
"1563148","8.83268","0.00013","8.7958","0.001","6.92308","0.00016","90","","90.0647","0.0017","90","","537.86","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0846","0.0475","","","0.102","0.1453","","","","","","1.162","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563149","8.2829","0.0005","9.301","0.005","8.7479","0.001","90","","90.324","0.008","90","","673.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0623","0.0441","","","0.0922","0.1269","","","","","","1.201","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563150","8.3477","0.0004","9.3692","0.0019","8.9074","0.0004","90","","90.318","0.003","90","","696.65","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.2903","synchrotron","","0.0328","0.0285","","","0.0652","0.0688","","","","","","1.026","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563151","8.5901","0.0017","8.483","0.008","6.464","0.002","90","","89.13","0.03","90","","471","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.2117","0.1357","","","0.3502","0.4337","","","","","","1.318","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563152","8.8272","0.0003","8.735","0.002","6.8311","0.0004","90","","90.177","0.004","90","","526.71","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.2082","0.1296","","","0.2798","0.3443","","","","","","1.149","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563153","8.7767","0.0005","8.564","0.004","6.5417","0.0005","90","","90.501","0.006","90","","491.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0779","0.0643","","","0.165","0.1768","","","","","","1.083","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563154","8.3189","0.0002","9.3438","0.0015","8.8428","0.0003","90","","90.322","0.002","90","","687.34","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0288","0.0243","","","0.0517","0.0575","","","","","","1.121","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563155","8.2768","0.0002","9.2699","0.0016","8.6896","0.0003","90","","90.34","0.003","90","","666.7","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0632","0.046","","","0.1204","0.154","","","","","","1.121","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563156","8.8562","0.0003","8.672","0.003","6.6496","0.0005","90","","90.452","0.004","90","","510.68","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0836","0.0676","","","0.175","0.1933","","","","","","1.093","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563411","5.1068","0.0004","8.5769","0.0006","17.3195","0.0011","90","","90","","90","","758.6","0.09","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H6 B F4 Li O2 S -","- C2 H6 B F4 Li O2 S -","- C8 H24 B4 F16 Li4 O8 S4 -","4","1","","Ugata, Yosuke; Sasagawa, Shohei; Tatara, Ryoichi; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru","Structural Effects of Solvents on Li-Ion-Hopping Conduction in Highly Concentrated LiBF<sub>4</sub>/Sulfone Solutions.","The journal of physical chemistry. B","2021","125","24","6600","6608","10.1021/acs.jpcb.1c01361","","","0.71073","MoKα","","0.0505","0.0453","","","0.1131","0.1162","","","","","","1.08","","","","has coordinates","266972","2021-07-04","01:48:38",""
"1564305","8.8991","","9.1263","","13.7411","","102.509","","94.403","","112.207","","993.032","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C4 H6 O3 -","- C4 H6 O3 -","- C32 H48 O24 -","8","4","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267957","2021-08-05","13:20:43",""
"1564306","9.732","","6.8118","","26.969","","90","","97.3425","","90","","1773.18","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 O3 -","- C8 H14 O3 -","- C64 H112 O24 -","8","1","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267877","2021-08-01","02:56:11",""
"1564307","9.5742","","7.399","","10.2346","","90","","107.188","","90","","692.633","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 O3 -","- C6 H10 O3 -","- C24 H40 O12 -","4","1","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267878","2021-08-01","03:11:37",""
"1564308","4.8902","","28.1219","","5.1787","","90","","98.915","","90","","703.58","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H10 O3 -","- C6 H10 O3 -","- C24 H40 O12 -","4","2","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267879","2021-08-01","03:15:25",""
"1564315","10.2828","0.0016","9.526","0.0015","7.9993","0.0013","90","","90","","90","","783.6","0.2","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","","Machida, Shiori; Kida, Motoki; Muramatsu, Satoru; Hirao, Takehiro; Haino, Takeharu; Inokuchi, Yoshiya","Gas-Phase UV Spectroscopy of Chemical Intermediates Produced in Solution: Oxidation Reactions of Phenylhydrazines by DDQ.","The journal of physical chemistry. A","2021","125","31","6697","6702","10.1021/acs.jpca.1c04669","","","0.71073","MoKa","","0.0421","0.0363","","","0.0768","0.08","","","","","","0.994","","","","has coordinates","268480","2021-09-04","03:00:31",""
"1564536","7.29534","0.00006","25.43886","0.00017","9.04309","0.00006","90","","91.8695","0.0006","90","","1677.37","0.02","300","0.1","300","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cl2 Rh2 -","- C16 H24 Cl2 Rh2 -","- C64 H96 Cl8 Rh8 -","4","1","","Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna","Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts.","The journal of physical chemistry. A","2021","125","34","7473","7488","10.1021/acs.jpca.1c05759","","x-ray","0.6889","synchrotron","","0.0486","0.0457","","","0.1435","0.1487","","","","","","1.1737","","","","has coordinates","268459","2021-09-04","01:10:10",""
"1564537","15.18382","0.00011","13.64566","0.00009","16.30646","0.0001","90","","90","","90","","3378.59","0.04","300","0.1","300","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cl2 Ir2 -","- C16 H24 Cl2 Ir2 -","- C128 H192 Cl16 Ir16 -","8","1","","Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna","Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts.","The journal of physical chemistry. A","2021","125","34","7473","7488","10.1021/acs.jpca.1c05759","","x-ray","0.6889","synchrotron","","0.0235","0.0211","","","0.0661","0.0682","","","","","","0.9526","","","","has coordinates","268460","2021-09-04","01:10:41",""
"1564538","24.6363","0.0015","16.8157","0.0008","10.0197","0.0004","90","","90","","90","","4150.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","'2-[(2-azaniumyl-3-phenylpropanoyl)amino]-3-phenylpropanoate propan-1-ol solvate'","","- C19.8 H24.8 N2 O3.6 -","- C19.8 H24.8 N2 O3.6 -","- C158.4 H198.4 N16 O28.8 -","8","2","","Chaker, Ziyad; Chervy, Pierre; Boulard, Yves; Bressanelli, Stéphane; Retailleau, Pascal; Paternostre, Maité; Charpentier, Thibault","Systematic Method for the Exploration, Representation, and Classification of the Diphenylalanine Solvatomorphic Space.","The journal of physical chemistry. B","2021","125","33","9454","9466","10.1021/acs.jpcb.1c04203","","x-ray","0.71073","MoKα","","0.11","0.0854","","","0.239","0.266","","","","","","1.03","","","","has coordinates","268461","2021-09-04","01:21:22",""
"1564806","10.5497","0.0014","17.112","0.002","12.0241","0.0016","90","","100.401","0.006","90","","2135","0.5","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Dy2 N6 O18 -","- C40 H32 Dy2 N6 O18 -","- C80 H64 Dy4 N12 O36 -","2","0.5","","Dolai, Malay; Moreno-Pineda, Eufemio; Wernsdorfer, Wolfgang; Ali, Mahammad; Ghosh, Ashutosh","Exchange-Bias Quantum Tunneling of the Magnetization in a Dysprosium Dimer.","The journal of physical chemistry. A","2021","125","37","8230","8237","10.1021/acs.jpca.1c05991","","","0.71073","MoKα","","0.0794","0.0613","","","0.1511","0.1667","","","","","","1.098","","","","has coordinates","269525","2021-10-04","00:48:16",""
"1564807","14.8483","0.001","26.8994","0.0018","9.0681","0.0006","90","","97.531","0.001","90","","3590.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 I2 N4 O2 -","- C41 H36 I2 N4 O2 -","- C164 H144 I8 N16 O8 -","4","1","","Hossain, Muhammad Saddam; Sindt, Ammon J.; Goodlett, Dustin W.; Shields, Dylan J.; O’Connor, Colin J.; Antevska, Aleksandra; Karakalos, Stavros G.; Smith, Mark D.; Garashchuk, Sophya; Do, Thanh D.; Gudmundsdottir, Anna D.; Shimizu, Linda S.","Effects of Self-Assembly on the Photogeneration of Radical Cations in Halogenated Triphenylamines","The Journal of Physical Chemistry C","2021","125","36","19991","20002","10.1021/acs.jpcc.1c04933","","x-ray","0.71073","MoKα","","0.057","0.0468","","","0.1038","0.1079","","","","","","1.195","","","","has coordinates","269526","2021-10-04","01:24:28",""
"1564808","18.4725","0.0012","19.8765","0.0013","8.9785","0.0006","90","","90","","90","","3296.6","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C39 H32 Cl2 N4 O -","- C39 H32 Cl2 N4 O -","- C156 H128 Cl8 N16 O4 -","4","0.5","","Hossain, Muhammad Saddam; Sindt, Ammon J.; Goodlett, Dustin W.; Shields, Dylan J.; O’Connor, Colin J.; Antevska, Aleksandra; Karakalos, Stavros G.; Smith, Mark D.; Garashchuk, Sophya; Do, Thanh D.; Gudmundsdottir, Anna D.; Shimizu, Linda S.","Effects of Self-Assembly on the Photogeneration of Radical Cations in Halogenated Triphenylamines","The Journal of Physical Chemistry C","2021","125","36","19991","20002","10.1021/acs.jpcc.1c04933","","x-ray","0.71073","MoKα","","0.0562","0.0418","","","0.1028","0.1131","","","","","","1.033","","","","has coordinates,has disorder","269527","2021-10-04","01:24:55",""
"1564809","8.503","0.003","12.437","0.005","14.17","0.006","105.555","0.009","98.36","0.011","90.075","0.008","1427","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 I N5 O8 Ru S3 -","- C19 H16 I0.941 N5 O8 Ru S3 -","- C38 H32 I1.882 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng","Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex","The Journal of Physical Chemistry C","2021","125","36","20059","20066","10.1021/acs.jpcc.1c05903","","","0.41328","synchrotron","","0.1774","0.1146","","","0.2884","0.3406","","","","","","1.043","","","","has coordinates,has disorder","269528","2021-10-04","01:25:21",""
"1564810","8.4103","0.0018","12.454","0.003","14.17","0.003","105.337","0.005","98.52","0.005","90.33","0.004","1414","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 I N5 O8 Ru S3 -","- C19 H16 I0.954 N5 O8 Ru S3 -","- C38 H32 I1.908 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng","Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex","The Journal of Physical Chemistry C","2021","125","36","20059","20066","10.1021/acs.jpcc.1c05903","","","0.41328","synchrotron","","0.1476","0.0907","","","0.2279","0.2791","","","","","","1.046","","","","has coordinates,has disorder","269529","2021-10-04","01:25:45",""
"1564811","8.3091","0.001","12.5928","0.0016","13.8952","0.0018","99.446","0.003","97.962","0.003","90.617","0.003","1419.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 I N5 O8 Ru S3 -","- C19 H12 I0.953 N5 O8 Ru S3 -","- C38 H24 I1.906 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng","Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex","The Journal of Physical Chemistry C","2021","125","36","20059","20066","10.1021/acs.jpcc.1c05903","","","0.41328","synchrotron","","0.2732","0.1111","","","0.2666","0.3471","","","","","","1.025","","","","has coordinates,has disorder","269530","2021-10-04","01:26:13",""
"1565114","10.1344","0.0015","11.872","0.0018","24.645","0.003","89.272","0.004","83.728","0.004","78.417","0.004","2887.3","0.7","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C74 H71 N2 O2 -","- C74 H71 N2 O2 -","- C148 H142 N4 O4 -","2","1","","Usta, Hakan; Cosut, Bunyemin; Alkan, Fahri","Understanding and Tailoring Excited State Properties in Solution-Processable Oligo(<i>p</i>-phenyleneethynylene)s: Highly Fluorescent Hybridized Local and Charge Transfer Character via Experiment and Theory.","The journal of physical chemistry. B","2021","125","42","11717","11731","10.1021/acs.jpcb.1c07165","","","0.71073","MoKα","","0.1673","0.0781","","","0.1686","0.2087","","","","","","1.027","","","","has coordinates","270285","2021-11-04","01:14:40",""
"1565115","16.6705","0.0015","13.9677","0.0012","9.4774","0.0008","90","","93.11","0.002","90","","2203.5","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C120 H76 Cl4 N8 -","4","1","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.0963","0.0576","","","0.1189","0.1611","","","","","","1.134","","","","has coordinates","270290","2021-11-04","01:43:41",""
"1565116","9.2405","0.0008","29.612","0.002","16.2931","0.0013","90","","96.573","0.003","90","","4429","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C240 H152 Cl8 N16 -","8","2","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.128","0.0585","","","0.1009","0.1218","","","","","","1.016","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1565117","9.2679","0.0008","14.4507","0.0011","25.754","0.002","89.104","0.003","88.444","0.003","81.598","0.003","3410.7","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C180 H114 Cl6 N12 -","6","3","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.1458","0.0642","","","0.1177","0.144","","","","","","1.021","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1565118","9.2641","0.0005","14.4485","0.0008","25.7528","0.0014","89.128","0.002","88.531","0.002","81.574","0.002","3408.5","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C180 H114 Cl6 N12 -","6","3","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.153","0.0671","","","0.1218","0.1488","","","","","","1.021","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1565119","10.5351","0.0003","14.631","0.0004","11.9513","0.0003","90","","107.187","0.001","90","","1759.9","0.08","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N6 S -","- C16 H14 Cl2 N6 S -","- C64 H56 Cl8 N24 S4 -","4","1","","Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei","Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals","The Journal of Physical Chemistry C","2021","125","40","22346","22353","10.1021/acs.jpcc.1c07151","","","0.71073","MoKα","","0.0537","0.0439","","","0.1094","0.1155","","","","","","1.05","","","","has coordinates","270294","2021-11-04","01:45:50",""
"1565120","8.3523","0.0002","8.8031","0.0002","13.6886","0.0004","77.895","0.002","76.682","0.002","68.795","0.002","904.19","0.04","199.99","0.1","199.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H3.5 N2 O1.5 S0.25 -","- C4 H3.5 N2 O1.5 S0.25 -","- C32 H28 N16 O12 S2 -","8","4","","Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei","Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals","The Journal of Physical Chemistry C","2021","125","40","22346","22353","10.1021/acs.jpcc.1c07151","","x-ray","1.54184","CuKα","","0.0641","0.0574","","","0.151","0.1562","","","","","","1.039","","","","has coordinates","270295","2021-11-04","01:46:21",""
"1565121","8.1317","0.0016","8.2472","0.0019","13.369","0.003","81.667","0.009","80.676","0.008","65.115","0.007","799.6","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Cl N6 S -","- C16 H13 Cl N6 S -","- C32 H26 Cl2 N12 S2 -","2","1","","Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei","Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals","The Journal of Physical Chemistry C","2021","125","40","22346","22353","10.1021/acs.jpcc.1c07151","","","0.71073","MoKα","","0.0496","0.0399","","","0.1054","0.1097","","","","","","1.08","","","","has coordinates","270296","2021-11-04","01:46:43",""
"1565524","4.58111","0.00005","5.59297","0.00006","4.96249","0.00005","90","","90","","90","","127.149","0.002","295","","295","","","","","","","","Synthesized","3","P b c n","-P 2n 2ab","60","Alpha-Fe2WO6","Iron tungsten oxide","","- Fe2.67 O8 W1.33 -","- Fe2.66664 O8 W1.33336 -","- Fe2.66664 O8 W1.33336 -","1","0.125","","Caubergh, Stéphane; Matsubara, Nami; Damay, Françoise; Fauth, François; Khalyavin, Dmitry D.; Manuel, Pascal; Mahmoud, Abdelfattah; Poelman, Dirk; Martin, Christine; Vertruyen, Bénédicte","Cationic Ordering, Solid Solution Domain, and Diffuse Reflectance in Fe2WO6 Polymorphs","The Journal of Physical Chemistry C","2021","125","46","25907","25916","10.1021/acs.jpcc.1c08314","powder diffraction","x-ray","0.44304","synchrotron","","","","","","","","","5.7481","0.27115","","","","","","","has coordinates","271104","2021-12-04","02:46:04",""
"1565525","7.9798","0.0001","7.2523","0.0001","14.3587","0.0002","90","","92.458","0.002","90","","830.201","0.019","299.98","0.1","299.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 N4 -","- C22 H10 N4 -","- C44 H20 N8 -","2","0.5","","Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De","Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals","The Journal of Physical Chemistry C","2021","125","46","25462","25469","10.1021/acs.jpcc.1c09151","","x-ray","1.54184","CuKα","","0.0611","0.0578","","","0.15","0.1538","","","","","","1.047","","","","has coordinates","271105","2021-12-04","02:46:26",""
"1565526","7.1725","0.0003","10.0841","0.0004","14.7504","0.0005","90","","102.395","0.004","90","","1042","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De","Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals","The Journal of Physical Chemistry C","2021","125","46","25462","25469","10.1021/acs.jpcc.1c09151","","x-ray","1.54184","CuKα","","0.1074","0.095","","","0.3333","0.3622","","","","","","1.542","","","","has coordinates","271106","2021-12-04","02:46:47",""
"1565527","7.0091","0.0004","9.4292","0.0005","13.9875","0.0008","90","","101.465","0.006","90","","905.99","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 -","- C26 H12 N4 -","- C52 H24 N8 -","2","0.5","","Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De","Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals","The Journal of Physical Chemistry C","2021","125","46","25462","25469","10.1021/acs.jpcc.1c09151","","x-ray","1.54184","CuKα","","0.0517","0.0499","","","0.1479","0.1504","","","","","","1.064","","","","has coordinates","271107","2021-12-04","02:47:07",""
"1565528","6.6691","0.0002","22.8845","0.0007","8.3705","0.0003","90","","108.977","0.004","90","","1208.06","0.07","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","x-ray","1.54184","Synchrotron","","0.1687","0.0948","","","0.1766","0.209","","","","","","1.0612","","","","has coordinates","271108","2021-12-04","02:47:39",""
"1565529","6.62655","0.00014","22.8918","0.0004","8.33673","0.00018","90","","109.195","0.002","90","","1194.32","0.04","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","","0.7","synchrotron","","0.1024","0.069","","","0.1604","0.1802","","","","","","1.09","","","","has coordinates","271109","2021-12-04","02:48:02",""
"1565530","6.58484","0.00014","22.9103","0.0005","8.31003","0.00018","90","","109.278","0.002","90","","1183.36","0.05","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","x-ray","0.7","Synchrotron","","0.0776","0.0571","","","0.1497","0.1637","","","","","","1.0632","","","","has coordinates","271110","2021-12-04","02:48:34",""
"1565531","6.6095","0.0001","22.9174","0.0005","8.3274","0.0002","90","","109.247","0.002","90","","1190.87","0.05","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","","0.7","synchrotron","","0.0698","0.0509","","","0.1394","0.153","","","","","","1.054","","","","has coordinates","271111","2021-12-04","02:48:56",""
"1565532","15.8872","0.0003","27.0504","0.0005","8.1864","0.0002","90","","101.837","0.002","90","","3443.33","0.13","298.86","0.1","298.86","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 Cl7 N4 O2 Sb -","- C20 H36 Cl7 N4 O2 Sb -","- C80 H144 Cl28 N16 O8 Sb4 -","4","0.5","","Li, Xianli; Peng, Chao; Xiao, Yonghong; Xue, Dongfeng; Luo, Binbin; Huang, Xiao-Chun","Guest-Induced Reversible Phase Transformation of Organic–Inorganic Phenylpiperazinium Antimony (III) Chlorides with Solvatochromic Photoluminescence","The Journal of Physical Chemistry C","2021","125","45","25112","25118","10.1021/acs.jpcc.1c07725","","x-ray","1.54184","CuKα","","0.0311","0.0294","","","0.0828","0.0836","","","","","","1.089","","","","has coordinates","271112","2021-12-04","02:49:19",""
"1565533","12.743","0.0001","28.0958","0.0003","8.4578","0.0001","90","","103.048","0.001","90","","2949.92","0.05","298.3","0.7","298.3","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 Cl7 N4 Sb -","- C20 H32 Cl7 N4 Sb -","- C80 H128 Cl28 N16 Sb4 -","4","0.5","","Li, Xianli; Peng, Chao; Xiao, Yonghong; Xue, Dongfeng; Luo, Binbin; Huang, Xiao-Chun","Guest-Induced Reversible Phase Transformation of Organic–Inorganic Phenylpiperazinium Antimony (III) Chlorides with Solvatochromic Photoluminescence","The Journal of Physical Chemistry C","2021","125","45","25112","25118","10.1021/acs.jpcc.1c07725","","x-ray","1.54184","CuKα","","0.0655","0.0644","","","0.1766","0.177","","","","","","1.257","","","","has coordinates,has disorder","271113","2021-12-04","02:49:46",""
"1565896","14.2798","0.0008","10.3222","0.0006","7.3243","0.0004","90","","90","","90","","1079.59","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 Cs2 H2 In O -","- Cl5 Cs2 H2 In O -","- Cl20 Cs8 H8 In4 O4 -","4","0.5","","Kshirsagar, Anuraj S.; Arfin, Habibul; Banerjee, Srijita; Mondal, Barnali; Nag, Angshuman","Colloidal Sb3±Doped Cs2InCl5·H2O Perovskite Nanocrystals with Temperature-Dependent Luminescence","The Journal of Physical Chemistry C","2021","125","50","27671","27677","10.1021/acs.jpcc.1c08720","","","0.71073","","","0.0255","0.0239","","","0.0845","0.0875","","","","","","0.79","","","","has coordinates","271776","2022-01-04","02:06:20",""
"1565897","11.7566","0.0005","7.5793","0.0003","22.5745","0.0008","90","","90","","90","","2011.54","0.14","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H8 F N -","- C13 H8 F N -","- C104 H64 F8 N8 -","8","1","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0811","0.0501","","","0.1254","0.1533","","","","","","1.052","","","","has coordinates","271777","2022-01-04","02:06:44",""
"1565898","9.4587","0.0013","14.6067","0.0016","15.293","0.002","90","","98.149","0.005","90","","2091.6","0.5","159","2","159","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","2","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0395","0.0356","","","0.076","0.0771","","","","","","1.347","","","","has coordinates,has disorder","271778","2022-01-04","02:07:10",""
"1565899","9.4825","0.0004","14.6148","0.0005","15.3482","0.0006","90","","98.097","0.002","90","","2105.82","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","2","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.039","0.035","","","0.0877","0.0892","","","","","","1.187","","","","has coordinates","271779","2022-01-04","02:07:30",""
"1565900","3.7723","0.0002","11.1607","0.0006","12.1361","0.0007","90","","94.841","0.002","90","","509.13","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H8 Cl N -","- C13 H8 Cl N -","- C26 H16 Cl2 N2 -","2","1","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0678","0.0664","","","0.174","0.1752","","","","","","1.186","","","","has coordinates,has disorder","271781","2022-01-04","02:07:53",""
"1565901","14.0129","0.0005","21.0765","0.0008","15.0463","0.0006","90","","93.872","0.002","90","","4433.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H40 Cd2 N9 O9 -","- C51 H40 Cd2 N9 O9 -","- C204 H160 Cd8 N36 O36 -","4","1","","Sarkar, Anupam; Mistry, Subhradeep; Natarajan, Srinivasan","Friedländer, Knoevenagel, and Michael Reactions Employing the Same MOF: Synthesis, Structure, and Heterogeneous Catalytic Studies of ([Zn(1,4-NDCA)(3-BPDB)0.5]·(DMF)(MeOH) and [Cd4(1,4-NDCA)4(3-BPDB)4]·2(DMF)","The Journal of Physical Chemistry C","2021","125","49","27230","27240","10.1021/acs.jpcc.1c08474","","","0.71073","MoKα","","0.0612","0.0447","","","0.1099","0.1202","","","","","","1.021","","","","has coordinates","271782","2022-01-04","02:08:29",""
"1565902","10.2597","0.0004","10.8766","0.0004","10.9289","0.0005","93.653","0.003","109.577","0.004","97.147","0.003","1132.87","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 N2 O4 Zn -","- C18 H9 N2 O4 Zn -","- C36 H18 N4 O8 Zn2 -","2","1","","Sarkar, Anupam; Mistry, Subhradeep; Natarajan, Srinivasan","Friedländer, Knoevenagel, and Michael Reactions Employing the Same MOF: Synthesis, Structure, and Heterogeneous Catalytic Studies of ([Zn(1,4-NDCA)(3-BPDB)0.5]·(DMF)(MeOH) and [Cd4(1,4-NDCA)4(3-BPDB)4]·2(DMF)","The Journal of Physical Chemistry C","2021","125","49","27230","27240","10.1021/acs.jpcc.1c08474","","x-ray","0.71073","MoKα","","0.064","0.0618","","","0.1902","0.1924","","","","","","1.064","","","","has coordinates","271783","2022-01-04","02:09:02",""
"4103739","15.6466","0.0002","15.6466","0.0002","7.6593","0.0001","90","","90","","90","","1875.12","0.04","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H40 N4 O12 Si -","- C32 H40 N4 O12 Si0.25 -","- C64 H80 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.129","0.0939","","","0.2593","0.2864","","","","","","1.127","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103740","15.4599","0.0008","15.4599","0.0008","8.7993","0.0005","90","","90","","90","","2103.11","0.19","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H48 N4 O12 Si -","- C36 H48 N4 O12 Si0.25 -","- C72 H96 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.1147","0.0708","","","0.1777","0.1956","","","","","","1.074","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103741","15.413","0.002","15.413","0.002","9.5845","0.0019","90","","90","","90","","2276.9","0.6","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C40 H56 N4 O12 Si -","- C40 H56 N4 O12 Si -","- C80 H112 N8 O24 Si2 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.233","0.0954","","","0.2116","0.2514","","","","","","1.087","","","","has coordinates","301832","2025-08-20","14:35:18",""
"4103742","15.465","0.009","15.465","0.009","9.578","0.006","90","","90","","90","","2291","2","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H48 N4 O12 Si -","- C36 H44 N4 O12 Si0.25 -","- C72 H88 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.2416","0.2023","","","0.5229","0.5535","","","","","","2.024","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103743","10.627","0.011","10.627","0.011","41.608","0.006","90","","90","","90","","4699","7","226","","226","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25 H24 B4 O8 -","- C25 H24 B4 O8 -","- C100 H96 B16 O32 -","4","0.25","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest; Wenzhuo Guo; Elena Galoppini","Molecular Tectonics. Use of the Hydrogen Bonding of Boronic Acids To Direct Supramolecular Construction","Journal of the American Chemical Society","2003","125","","1002","1006","10.1021/ja0276772","","","1.54178","CuKα","","0.3307","0.0978","","","0.141","0.1594","","","","","","0.981","","","","has coordinates","301832","2025-08-20","14:35:18",""
"4103744","10.837","0.0015","10.837","0.0015","45.603","0.009","90","","90","","90","","5355.6","1.5","210","","210","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H24 B4 O8 Si -","- C24 H24 B4 O8 Si -","- C96 H96 B16 O32 Si4 -","4","0.25","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest; Wenzhuo Guo; Elena Galoppini","Molecular Tectonics. Use of the Hydrogen Bonding of Boronic Acids To Direct Supramolecular Construction","Journal of the American Chemical Society","2003","125","","1002","1006","10.1021/ja0276772","","","1.54178","CuKα","","0.1508","0.0758","","","0.125","0.1367","","","","","","0.84","","","","has coordinates","301832","2025-08-20","14:35:18",""
"4113363","10.7136","0.0001","16.1166","0.0002","14.4975","0.0001","90","","90.555","0.001","90","","2503.12","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 B8 N2 P -","- C21 H33 B8 N2 P -","- C84 H132 B32 N8 P4 -","4","1","","Alexandra M. Shedlow; Daniel E. Kadlecek; Jude C. Clapper; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Crystallographic/Computational Characterizations, and Reactions of the First 10-Vertex arachno- and nido-Phosphamonocarbaboranes","Journal of the American Chemical Society","2003","125","","200","211","10.1021/ja020944j","","","0.71069","MoKα","","0.056","0.0503","","0.115","0.112","","","","1.145","1.164","1.164","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113364","13.9467","0.0002","15.8609","0.0002","10.3485","0.0001","90","","101.898","0.001","90","","2239.98","0.05","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H31 B8 N2 P -","- C16 H31 B8 N2 P -","- C64 H124 B32 N8 P4 -","4","1","","Alexandra M. Shedlow; Daniel E. Kadlecek; Jude C. Clapper; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Crystallographic/Computational Characterizations, and Reactions of the First 10-Vertex arachno- and nido-Phosphamonocarbaboranes","Journal of the American Chemical Society","2003","125","","200","211","10.1021/ja020944j","","","0.71069","MoKα","","0.0804","0.071","","0.1433","0.1391","","","","1.272","1.293","1.293","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113365","11.445","0.002","10.723","0.002","25.458","0.005","90","","104.249","0.004","90","","3028.2","1","143","1","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 B8 N2 O P S -","- C25 H43 B8 N2 O P S -","- C100 H172 B32 N8 O4 P4 S4 -","4","1","","Alexandra M. Shedlow; Daniel E. Kadlecek; Jude C. Clapper; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Crystallographic/Computational Characterizations, and Reactions of the First 10-Vertex arachno- and nido-Phosphamonocarbaboranes","Journal of the American Chemical Society","2003","125","","200","211","10.1021/ja020944j","","","0.71069","MoKα","","0.1009","0.0728","","0.1449","0.1339","","","","1.119","1.176","1.176","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113366","10.1307","0.0001","14.8154","0.0004","13.2955","0.0003","90","","101.577","0.002","90","","1954.93","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B8 Mn O5 P -","- C12 H16 B8 Mn O5 P -","- C48 H64 B32 Mn4 O20 P4 -","4","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.71069","MoKα","","0.0568","0.0475","","0.0925","0.0889","","","","1.17","1.196","1.196","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113367","11.8876","0.0003","17.2869","0.0004","9.3156","0.0003","90","","90","","90","","1914.35","0.09","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 B8 Fe O2 P -","- C14 H21 B8 Fe O2 P -","- C56 H84 B32 Fe4 O8 P4 -","4","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.71069","MoKα","","0.036","0.0323","","0.0664","0.0645","","","","1.141","1.141","1.141","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113368","7.8825","0.0003","16.0671","0.0006","6.9036","0.0002","96.392","0.003","106.633","0.002","78.401","0.002","819.29","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 B8 Fe P -","- C12 H19 B8 Fe P -","- C24 H38 B16 Fe2 P2 -","2","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.7107","MoKα","","0.0435","0.0398","","0.1074","0.1046","","","","1.067","1.081","1.081","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113369","26.0242","0.0006","8.1266","0.0001","14.3484","0.0002","90","","120.364","0.001","90","","2618.28","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H17 B8 Fe P -","- C7 H17 B8 Fe P -","- C56 H136 B64 Fe8 P8 -","8","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.7107","MoKα","","0.0566","0.0495","","0.0859","0.0834","","","","1.17","1.193","1.193","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113370","9.2231","0.0002","13.4955","0.0003","13.9081","0.0003","90","","96.117","0.001","90","","1721.29","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 B8 Fe2 P -","- C12 H22 B8 Fe2 P -","- C48 H88 B32 Fe8 P4 -","4","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.7107","MoKα","","0.0474","0.0399","","0.0844","0.0805","","","","1.118","1.127","1.127","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113371","12.4084","0.0001","18.0854","0.0002","22.7549","0.0003","90","","97.616","0.0007","90","","5061.4","0.1","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H102 B16 Cl12 P6 Pt2 -","- C86 H92 B16 Cl2 P6 Pt2 -","- C172 H184 B32 Cl4 P12 Pt4 -","2","0.5","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.71069","MoKα","","0.0528","0.048","","0.1275","0.1228","","","","1.088","1.092","1.092","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113372","11.9097","0.0002","17.2245","0.0004","10.7383","0.0003","99.385","0.001","107.444","0.002","88.53","0.002","2072.77","0.09","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 B8 P3 Pt -","- C43 H45 B8 P3 Pt -","- C86 H90 B16 P6 Pt2 -","2","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.71069","MoKα","","0.04","0.037","","0.0944","0.0917","","","","1.091","1.082","1.082","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113373","8.9736","0.0005","14.2108","0.0008","14.8927","0.0008","90","","90","","90","","1899.15","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl4 O2 Sn -","- C15 H16 Cl4 O2 Sn -","- C60 H64 Cl16 O8 Sn4 -","4","1","","Kazuaki Ishihara; Daisuke Nakashima; Yukihiro Hiraiwa; Hisashi Yamamoto","The Crystallographic Structure of a Lewis Acid-Assisted Chiral Brønsted Acid as an Enantioselective Protonation Reagent for Silyl Enol Ethers","Journal of the American Chemical Society","2003","125","","24","25","10.1021/ja021000x","","","0.71073","MoKα","","0.018","0.0175","","","0.0439","0.0441","","","","","","1.067","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113374","10.7744","0.0004","23.4795","0.001","11.5031","0.0005","90","","112.671","0.001","90","","2685.18","0.19","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H90 N6 O2 Si8 Tm2 -","- C32 H88 N6 O2 Si8 Tm2 -","- C64 H176 N12 O4 Si16 Tm4 -","2","0.5","","William J. Evans; Gaël Zucchi; Joseph W. Ziller","Dinitrogen Reduction by Tm(II), Dy(II), and Nd(II) with Simple Amide and Aryloxide Ligands","Journal of the American Chemical Society","2003","125","","10","11","10.1021/ja0211712","","","0.71073","MoKα","","0.0262","0.0228","","","0.0541","0.0554","","","","","","1.086","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113375","10.8445","0.0004","23.4461","0.0009","11.5625","0.0004","90","","112.631","0.001","90","","2713.53","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Dy2 N6 O2 Si8 -","- C32 H88 Dy2 N6 O2 Si8 -","- C64 H176 Dy4 N12 O4 Si16 -","2","0.5","","William J. Evans; Gaël Zucchi; Joseph W. Ziller","Dinitrogen Reduction by Tm(II), Dy(II), and Nd(II) with Simple Amide and Aryloxide Ligands","Journal of the American Chemical Society","2003","125","","10","11","10.1021/ja0211712","","","0.71073","MoKα","","0.027","0.0236","","","0.0584","0.0599","","","","","","1.085","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113376","12.2314","0.0009","12.9321","0.001","15.1594","0.0011","74.053","0.001","82.652","0.001","74.06","0.001","2213.4","0.3","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H148 N2 Nd2 O12 -","- C88 H148 N2 Nd2 O12 -","- C88 H148 N2 Nd2 O12 -","1","0.5","","William J. Evans; Gaël Zucchi; Joseph W. Ziller","Dinitrogen Reduction by Tm(II), Dy(II), and Nd(II) with Simple Amide and Aryloxide Ligands","Journal of the American Chemical Society","2003","125","","10","11","10.1021/ja0211712","","","0.71073","MoKα","","0.0744","0.0506","","","0.1181","0.1329","","","","","","1.052","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113377","7.184","0.005","17.077","0.006","13.744","0.004","90","","100.56","0.04","90","","1657.6","1.4","296.2","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H12 Cl4 Fe O10 S8 -","- C24 H12 Cl4 Fe O10 S8 -","- C48 H24 Cl8 Fe2 O20 S16 -","2","0.25","","Kunimitsu Nagayoshi; Md. Khayrul Kabir; Hiroshi Tobita; Kenji Honda; Mitsuhiro Kawahara; Motomi Katada; Keiichi Adachi; Hiroyuki Nishikawa; Isao Ikemoto; Hitoshi Kumagai; Yuko Hosokoshi; Katsuya Inoue; Susumu Kitagawa; Satoshi Kawata","Design of Novel Inorganic-Organic Hybrid Materials Based on Iron-Chloranilate Mononuclear Complexes: Characteristics of Hydrogen-Bond-Supported Layers toward the Intercalation of Guests","Journal of the American Chemical Society","2003","125","","221","232","10.1021/ja027895v","","","0.7107","MoKα","","","0.0357","","","","0.101","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113378","9.32","0.001","13.228","0.002","7.333","0.002","97.08","0.02","112.9","0.01","86.5","0.01","826.4","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Cl4 Fe2 O10 -","- C32 H34 Cl4 Fe2 O10 -","- C32 H34 Cl4 Fe2 O10 -","1","0.5","","Kunimitsu Nagayoshi; Md. Khayrul Kabir; Hiroshi Tobita; Kenji Honda; Mitsuhiro Kawahara; Motomi Katada; Keiichi Adachi; Hiroyuki Nishikawa; Isao Ikemoto; Hitoshi Kumagai; Yuko Hosokoshi; Katsuya Inoue; Susumu Kitagawa; Satoshi Kawata","Design of Novel Inorganic-Organic Hybrid Materials Based on Iron-Chloranilate Mononuclear Complexes: Characteristics of Hydrogen-Bond-Supported Layers toward the Intercalation of Guests","Journal of the American Chemical Society","2003","125","","221","232","10.1021/ja027895v","","","0.7107","MoKα","","","0.0411","","","","0.1221","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113379","9.845","0.0005","11.5335","0.0006","25.0299","0.0013","90","","90","","90","","2842.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 N O6 S -","- C28 H43 N O6 S -","- C112 H172 N4 O24 S4 -","4","1","","Richard E. Taylor; Yue Chen; Alicia Beatty; David C. Myles; Yiqing Zhou","Conformation-Activity Relationships in Polyketide Natural Products: A New Perspective on the Rational Design of Epothilone Analogues","Journal of the American Chemical Society","2003","125","","26","27","10.1021/ja028196l","","","0.71073","MoKα","","0.0465","0.0442","","","0.1186","0.1211","","","","","","1.035","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113380","6.4227","0.0003","9.8743","0.0004","11.3325","0.0005","84.945","0.001","88.118","0.001","89.872","0.001","715.52","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H45 N O6 S -","- C28 H45 N O6 S -","- C28 H45 N O6 S -","1","1","","Richard E. Taylor; Yue Chen; Alicia Beatty; David C. Myles; Yiqing Zhou","Conformation-Activity Relationships in Polyketide Natural Products: A New Perspective on the Rational Design of Epothilone Analogues","Journal of the American Chemical Society","2003","125","","26","27","10.1021/ja028196l","","","0.71073","MoKα","","0.0341","0.0333","","","0.0845","0.0853","","","","","","1.039","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113381","13.7573","0.0005","13.7573","0.0005","125.44","0.006","90","","90","","120","","20560.5","1.4","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","tripodand 1-Fe","","","- C66 H71 F12 Fe N7 O10 P2 -","- C66 H69 F11.94 Fe N7 O9.99 P2 -","- C792 H828 F143.28 Fe12 N84 O119.88 P24 -","12","0.333333","","Tatsuya Nabeshima; Yuko Yoshihira; Toshiyuki Saiki; Shigehisa Akine; Ernst Horn","Remarkably Large Positive and Negative Allosteric Effects on Ion Recognition by the Formation of a Novel Helical Pseudocryptand","Journal of the American Chemical Society","2003","125","","28","29","10.1021/ja028750r","","","0.71069","MoKα","","0.1124","0.0751","","","0.1675","0.1936","","","","","","1.047","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113382","22.896","0.008","13.887","0.006","24.427","0.006","90","","106.36","0.02","90","","7452","5","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","tripodand 1-Fe-Cs","","","- C68 H72 Cl Cs F12 Fe N8 O13 P2 -","- C68 H72 Cl Cs F12 Fe N8 O13 P2 -","- C272 H288 Cl4 Cs4 F48 Fe4 N32 O52 P8 -","4","1","","Tatsuya Nabeshima; Yuko Yoshihira; Toshiyuki Saiki; Shigehisa Akine; Ernst Horn","Remarkably Large Positive and Negative Allosteric Effects on Ion Recognition by the Formation of a Novel Helical Pseudocryptand","Journal of the American Chemical Society","2003","125","","28","29","10.1021/ja028750r","","","0.71069","MoKα","","","0.061","","","","0.0615","","","","","","1.689","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113383","21.184","0.003","6.824","0.001","5.892","0.002","90","","90","","90","","851.7","0.3","293","2","293","2","","","","","First dipole-induced polymorph","","","3","P n a 21","P 2c -2n","33","trans (1R*,2R*)-2-hydroxy-1-cycloheptanecarboxylic acid form A","","","- C8 H14 O3 -","- C8 H14 O3 -","- C32 H56 O12 -","4","1","","Alajos Kálmán; László Fábián; Gyula Argay; Gábor Bernáth; Zsuzsanna Gyarmati","Dipole-Induced Polymorphs of trans-2-Hydroxycycloheptanecarboxylic Acid with Virtually the Same Unit Cell","Journal of the American Chemical Society","2003","125","","34","35","10.1021/ja0289447","","","1.54184","CUkα","","0.115","0.1112","","","0.2984","0.3028","","","","","","2.072","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113384","21.185","0.002","6.826","0.001","5.889","0.001","90","","90","","90","","851.6","0.2","293","2","293","2","","","","","Second dipole-induced polymorph","","","3","P n 21 a","P -2ac -2n","33","trans (1R*,2R*)-2-hydroxy-1-cycloheptanecarboxylic acid form B","","","- C8 H14 O3 -","- C8 H14 O3 -","- C32 H56 O12 -","4","1","","Alajos Kálmán; László Fábián; Gyula Argay; Gábor Bernáth; Zsuzsanna Gyarmati","Dipole-Induced Polymorphs of trans-2-Hydroxycycloheptanecarboxylic Acid with Virtually the Same Unit Cell","Journal of the American Chemical Society","2003","125","","34","35","10.1021/ja0289447","","","1.54184","CUkα","","0.0403","0.0371","","","0.1227","0.1275","","","","","","1.112","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113385","17.516","0.004","28.565","0.006","10.116","0.002","90","","90.112","0.004","90","","5061.5","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 F6 Fe2 N O3 P3 S2 -","- C14 H22 F6 Fe2 N O3 P3 S2 -","- C112 H176 F48 Fe16 N8 O24 P24 S16 -","8","2","","Xuan Zhao; Chao-Yi Chiang; Matthew L. Miller; Marilyn V. Rampersad; Marcetta Y. Darensbourg","Activation of Alkenes and H2 by [Fe]-H2ase Model Complexes","Journal of the American Chemical Society","2003","125","","518","524","10.1021/ja0280168","","","0.71073","MoKα","","0.2285","0.0743","","","0.1782","0.2816","","","","","","0.688","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113386","11.046","0.002","16.325","0.004","16.485","0.004","117.955","0.004","97.071","0.004","91.898","0.004","2591.8","1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H26 F3 Fe2 O7 P2 S3 -","- C15 H26 F3 Fe2 O7 P2 S3 -","- C60 H104 F12 Fe8 O28 P8 S12 -","4","2","","Xuan Zhao; Chao-Yi Chiang; Matthew L. Miller; Marilyn V. Rampersad; Marcetta Y. Darensbourg","Activation of Alkenes and H2 by [Fe]-H2ase Model Complexes","Journal of the American Chemical Society","2003","125","","518","524","10.1021/ja0280168","","","0.71073","MoKα","","0.0909","0.0701","","","0.1643","0.1817","","","","","","0.925","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113387","20.2596","0.0006","17.7356","0.0006","33.4617","0.0011","90","","90","","90","","12023.3","0.7","98","2","98","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C71 H69 B Fe P4 -","- C71 H69 B Fe P4 -","- C568 H552 B8 Fe8 P32 -","8","1","","Steven D. Brown; Theodore A. Betley; Jonas C. Peters","A Low-Spin d5 Iron Imide: Nitrene Capture by Low-Coordinate Iron(I) Provides the 4-Coordinate Fe(III) Complex [PhB(CH2PPh2)3]Fe\τbN-p-tolyl","Journal of the American Chemical Society","2003","125","","322","323","10.1021/ja028448i","","","0.71073","MoKα","","0.1078","0.0713","","","0.117","0.119","","","","","","3.208","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113388","10.462","0.001","10.576","0.001","11.877","0.001","110.13","0.01","92.23","0.01","112.6","0.01","1116.7","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 N7 O4 P -","- C19 H32 N7 O4 P -","- C38 H64 N14 O8 P2 -","2","1","","Carsten Schmuck; Wolfgang Wienand","Highly Stable Self-Assembly in Water: Ion Pair Driven Dimerization of a Guanidiniocarbonyl Pyrrole Carboxylate Zwitterion","Journal of the American Chemical Society","2003","125","","452","459","10.1021/ja028485+","","","","","","","","","","","","","","","","","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113389","37.752","0.001","4.815","0.001","28.406","0.001","90","","97.83","0.01","90","","5115.4","1.1","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H39 N3 O5 -","- C26 H39 N3 O5 -","- C208 H312 N24 O40 -","8","1","","Carsten Schmuck; Wolfgang Wienand","Highly Stable Self-Assembly in Water: Ion Pair Driven Dimerization of a Guanidiniocarbonyl Pyrrole Carboxylate Zwitterion","Journal of the American Chemical Society","2003","125","","452","459","10.1021/ja028485+","","","","","","","","","","","","","","","","","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113390","10.5","0.002","19.809","0.004","21.842","0.004","98.52","0.03","96.69","0.03","102.7","0.03","4330.3","1.7","110","5","110","5","","","","","","","","8","P -1","-P 1","2","","","","- C81 H72 Cl2 F12 N10 O2 Pt3 Sb2 -","- C81 H72 Cl2 F12 N10 O2 Pt3 Sb2 -","- C162 H144 Cl4 F24 N20 O4 Pt6 Sb4 -","2","1","","Andrew J. Goshe; Ian M. Steele; B. Bosnich","Supramolecular Recognition. Terpyridyl Palladium and Platinum Molecular Clefts and Their Association with Planar Platinum Complexes","Journal of the American Chemical Society","2003","125","","444","451","10.1021/ja028910z","","","0.72588","monochromatic","","0.0766","0.0556","","","0.1455","0.165","","","","","","1.041","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113391","9.544","0.001","21.21","0.002","14.297","0.002","90","","101.446","0.004","90","","2836.6","0.6","113.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 B F4 I O7.5 -","- C24 H36 B F4 I O7.5 -","- C96 H144 B4 F16 I4 O30 -","4","1","","Masahito Ochiai; Takashi Suefuji; Kazunori Miyamoto; Norihiro Tada; Satoru Goto; Motoo Shiro; Shigeru Sakamoto; Kentaro Yamaguchi","Secondary Hypervalent I(III)...O Interactions: Synthesis and Structure of Hypervalent Complexes of Diphenyl-λ3-iodanes with 18-Crown-6","Journal of the American Chemical Society","2003","125","","769","773","10.1021/ja0211205","","","0.7107","MoKα","","","0.0466","","","","0.1098","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113392","9.5023","0.0004","24.527","0.001","9.5248","0.0005","90","","117.567","0.002","90","","1967.86","0.16","123.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 B2 F8 I2 O6 -","- C36 H44 B2 F8 I2 O6 -","- C72 H88 B4 F16 I4 O12 -","2","0.5","","Masahito Ochiai; Takashi Suefuji; Kazunori Miyamoto; Norihiro Tada; Satoru Goto; Motoo Shiro; Shigeru Sakamoto; Kentaro Yamaguchi","Secondary Hypervalent I(III)...O Interactions: Synthesis and Structure of Hypervalent Complexes of Diphenyl-λ3-iodanes with 18-Crown-6","Journal of the American Chemical Society","2003","125","","769","773","10.1021/ja0211205","","","0.7107","MoKα","","","0.0273","","","","0.0771","","","","","","1.054","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113393","16.331","0.003","17.298","0.004","17.968","0.004","90","","90","","90","","5075.8","1.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(cyclopentadienyl)(2,6-diisopropylphenylimido)(trimethylphosphine) (dimethylchlorosilyl)(hydrido) tantalum (V)","","- C21 H35 Cl2 N P Si Ta -","- C18.44 H28.77 Cl1.431 N0.9 P0.83 Si0.81 Ta0.84 -","- C147.52 H230.16 Cl11.448 N7.2 P6.64 Si6.48 Ta6.72 -","8","1","","Stuart R. Dubberley; Stanislav K. Ignatov; Nicholas H. Rees; Alexei G. Razuvaev; Philip Mountford; Georgii I. Nikonov","Are J(Si-H) NMR Coupling Constants Really a Probe for the Existence of Nonclassical H-Si Interactions?","Journal of the American Chemical Society","2003","125","","642","643","10.1021/ja027935v","","","0.71073","MoKα","","0.0441","0.0349","","","0.0955","0.1008","","","","","","0.998","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113394","12.4161","0.0002","14.4522","0.0002","14.4784","0.0002","112.733","0.001","109.719","0.001","101.041","0.001","2094.91","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 B Cu F20 N5 -","- C43 H29 B Cu F20 N5 -","- C86 H58 B2 Cu2 F40 N10 -","2","1","","Christiana Xin Zhang; Hong-Chang Liang; Eun-il Kim; Jason Shearer; Matthew E. Helton; Eunsuk Kim; Susan Kaderli; Christopher D. Incarvito; Andreas D. Zuberbühler; Arnold L. Rheingold; Kenneth D. Karlin","Tuning Copper-Dioxygen Reactivity and Exogenous Substrate Oxidations via Alterations in Ligand Electronics","Journal of the American Chemical Society","2003","125","","634","635","10.1021/ja028779v","","","0.71073","MoKα","","0.0828","0.0469","","","0.1143","0.1304","","","","","","1.069","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113395","12.765","0.003","12.811","0.003","13.946","0.003","95.816","0.004","103.002","0.004","104.417","0.003","2122","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H26 B Cu F20 N4 O2 -","- C43 H26 B Cu F20 N4 O2 -","- C86 H52 B2 Cu2 F40 N8 O4 -","2","1","","Christiana Xin Zhang; Hong-Chang Liang; Eun-il Kim; Jason Shearer; Matthew E. Helton; Eunsuk Kim; Susan Kaderli; Christopher D. Incarvito; Andreas D. Zuberbühler; Arnold L. Rheingold; Kenneth D. Karlin","Tuning Copper-Dioxygen Reactivity and Exogenous Substrate Oxidations via Alterations in Ligand Electronics","Journal of the American Chemical Society","2003","125","","634","635","10.1021/ja028779v","","","0.71073","MoKα","","0.135","0.0555","","","0.1021","0.1245","","","","","","0.872","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113396","6.3644","0.0005","16.9806","0.0015","16.7224","0.0013","90","","92.693","0.003","90","","1805.2","0.3","183","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(cyclohexyl isocyanide) gold hexafluorphosphate (colorless)","","","- C14 H22 Au F6 N2 P -","- C14 H22 Au F6 N2 P -","- C56 H88 Au4 F24 N8 P4 -","4","1","","Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch","Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence","Journal of the American Chemical Society","2003","125","","1033","1040","10.1021/ja020902v","","","0.71073","MoKα","","0.0369","0.0188","","","0.0466","0.0528","","","","","","0.996","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113397","11.5235","0.0007","24.1416","0.0015","26.0516","0.0016","90","","90","","90","","7247.4","0.8","91","2","91","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis(cyclohexyl isocyanide)gold hexafluorophosphate (yellow)","","","- C14 H22 Au F6 N2 P -","- C14 H22 Au F6 N2 P -","- C224 H352 Au16 F96 N32 P16 -","16","4","","Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch","Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence","Journal of the American Chemical Society","2003","125","","1033","1040","10.1021/ja020902v","","","0.71073","MoKα","","0.0845","0.0552","","","0.1111","0.1234","","","","","","0.96","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113398","9.8097","0.0007","9.8097","0.0007","9.8097","0.0007","90","","90","","90","","943.99","0.12","90","2","90","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","bis(methyl isocyanide) gold PF6","","","- C4 H6 Au F6 N2 P -","- C4 H6 Au F6 N2 P -","- C16 H24 Au4 F24 N8 P4 -","4","0.166667","","Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch","Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence","Journal of the American Chemical Society","2003","125","","1033","1040","10.1021/ja020902v","","","0.71073","MoKα","","0.0407","0.0356","","","0.0727","0.0745","","","","","","1.179","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113399","15.6269","0.0011","6.2166","0.0004","17.1546","0.0012","90","0.01","90.067","0.001","90","0.01","1666.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Cl4 N4 Na2 O4 -","- C36 H22 Cl4 N4 Na2 O4 -","- C72 H44 Cl8 N8 Na4 O8 -","2","0.5","","Annie J. Middleton; William J. Marshall; Nora S. Radu","Elucidation of the Structure of a Highly Efficient Blue Electroluminescent Material","Journal of the American Chemical Society","2003","125","","880","881","10.1021/ja027323a","","","0.71073","MoKα","","0.0746","0.042","","","0.085","0.093","","","","","","0.89","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113400","12.4456","0.0002","14.6922","0.0002","16.5225","0.0003","90","","103.775","0.0006","90","","2934.3","0.08","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Cl N2 Ni -","- C30 H41 Cl N2 Ni -","- C120 H164 Cl4 N8 Ni4 -","4","1","","Benjamin R. Dible; Matthew S. Sigman","Unusual Reactivity of Molecular Oxygen with π-Allylnickel(N-heterocyclic carbene) Chloride Complexes","Journal of the American Chemical Society","2003","125","","872","873","10.1021/ja0286876","","","0.71073","MoKα","","0.0508","0.0338","","","0.0792","0.0869","","","","","","1.018","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113401","12.3078","0.0002","16.8989","0.0002","14.1714","0.0002","90","","112.976","0.0006","90","","2713.65","0.07","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Cl2 N4 Ni2 O2 -","- C54 H74 Cl2 N4 Ni2 O2 -","- C108 H148 Cl4 N8 Ni4 O4 -","2","0.5","","Benjamin R. Dible; Matthew S. Sigman","Unusual Reactivity of Molecular Oxygen with π-Allylnickel(N-heterocyclic carbene) Chloride Complexes","Journal of the American Chemical Society","2003","125","","872","873","10.1021/ja0286876","","","0.71073","MoKα","","0.038","0.03","","","0.0713","0.0759","","","","","","1.04","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113402","8.4454","0.0002","14.3403","0.0004","18.7691","0.0005","90","","90.112","0.0011","90","","2273.11","0.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 N2 Se2 Si2 Zn -","- C12 H34 N2 Se2 Si2 Zn -","- C48 H136 N8 Se8 Si8 Zn4 -","4","1","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2]","Journal of the American Chemical Society","2003","125","","864","865","10.1021/ja028800s","","","0.71073","MoKα","","0.1002","0.0447","","","0.0808","0.0953","","","","","","1.003","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113403","17.3933","0.0014","36.592","0.003","46.151","0.004","90","","90","","90","","29373","4","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C86 H150 Cd11 N10 O5 Se19 Zn5 -","- C86 Cd11 N10 O5 Se19 Zn5 -","- C688 Cd88 N80 O40 Se152 Zn40 -","8","1","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2]","Journal of the American Chemical Society","2003","125","","864","865","10.1021/ja028800s","","","0.71073","MoKα","","0.1625","0.0927","","","0.2018","0.2183","","","","","","1.176","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113404","18.2135","0.0011","19.0174","0.0011","22.9457","0.0013","67.153","0.001","67.873","0.001","62.286","0.001","6293.9","0.6","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C77 H133 Cd11 N10 O2 Te19 Zn5 -","- C77 Cd11 N10 O2 Te19 Zn5 -","- C154 Cd22 N20 O4 Te38 Zn10 -","2","1","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2]","Journal of the American Chemical Society","2003","125","","864","865","10.1021/ja028800s","","","0.71073","MoKα","","0.1304","0.0685","","","0.1199","0.1336","","","","","","1.13","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113405","11.7719","0.0006","12.2522","0.0008","24.011","0.001","90","","80.591","0.002","90","","3416.6","0.3","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H24 F30 N10 O2 -","- C74 H24 F30 N10 O2 -","- C148 H48 F60 N20 O4 -","2","0.5","","Alagar Srinivasan; Tomoya Ishizuka; Atsuhiro Osuka; Hiroyuki Furuta","Doubly N-Confused Hexaphyrin: A Novel Aromatic Expanded Porphyrin that Complexes Bis-metals in the Core","Journal of the American Chemical Society","2003","125","","878","879","10.1021/ja029018v","","","0.7107","MoKα","","","0.051","","","","0.06","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113406","11.8948","0.0007","17.819","0.001","29.433","0.002","90","","89.829","0.001","90","","6238.4","0.7","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H10 F30 N6 Ni2 O2 -","- C72 H24 F30 N6 Ni2 O2 -","- C288 H96 F120 N24 Ni8 O8 -","4","1","","Alagar Srinivasan; Tomoya Ishizuka; Atsuhiro Osuka; Hiroyuki Furuta","Doubly N-Confused Hexaphyrin: A Novel Aromatic Expanded Porphyrin that Complexes Bis-metals in the Core","Journal of the American Chemical Society","2003","125","","878","879","10.1021/ja029018v","","","0.7107","MoKα","","","0.113","","","","0.142","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113407","12.1352","0.0015","13.9997","0.0016","17.118","0.002","80.135","0.003","78.298","0.002","88.082","0.002","2805.6","0.6","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H58 B Cl5 F4 O Os P2 Si2 -","- C50 H58 B Cl5 F4 O Os P2 Si2 -","- C100 H116 B2 Cl10 F8 O2 Os2 P4 Si4 -","2","1","","Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia","Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes","Journal of the American Chemical Society","2003","125","","884","885","10.1021/ja029110r","","","0.71073","MoKα","","0.052","0.0402","","","0.1025","0.1081","","","","","","0.994","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113408","10.0243","0.0009","22.59","0.002","17.5821","0.0016","90","","94.246","0.002","90","","3970.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H39 Cl5 Os P2 -","- C43.5 H39 Cl5 Os P2 -","- C174 H156 Cl20 Os4 P8 -","4","1","","Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia","Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes","Journal of the American Chemical Society","2003","125","","884","885","10.1021/ja029110r","","","0.71073","MoKα","","0.0926","0.0507","","","0.0899","0.1027","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113409","19.0283","0.001","18.9544","0.001","21.4819","0.0011","90","","90","","90","","7747.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H34 Br4 Os P2 -","- C42 H34 Br4 Os P2 -","- C336 H272 Br32 Os8 P16 -","8","1","","Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia","Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes","Journal of the American Chemical Society","2003","125","","884","885","10.1021/ja029110r","","","0.71073","MoKα","","0.0395","0.0276","","","0.0569","0.0601","","","","","","1.037","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113410","10.915","0.003","13.024","0.005","23.832","0.006","90","","102.27","","90","","3310.5","1.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Cl2 N5 O2 S Zn -","- C31 H39 Cl2 N5 O2 S Zn -","- C124 H156 Cl8 N20 O8 S4 Zn4 -","4","1","","Jennifer N. Smith; Zahida Shirin; Carl J. Carrano","Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies","Journal of the American Chemical Society","2003","125","","868","869","10.1021/ja029418i","","","0.71073","MoKα","","0.0796","0.0563","","0.2345","0.1446","","","","1.031","1.025","1.025","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113411","10.356","0.002","13.93","0.003","16.68","0.003","90","","92.29","0.03","90","","2404.3","0.8","153","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N5 O S2 Zn -","- C22 H29 N5 O S2 Zn -","- C88 H116 N20 O4 S8 Zn4 -","4","1","","Jennifer N. Smith; Zahida Shirin; Carl J. Carrano","Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies","Journal of the American Chemical Society","2003","125","","868","869","10.1021/ja029418i","","","0.71073","MoKα","","0.0692","0.0407","","0.1066","0.0943","","","","1","1.048","1.048","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113412","13.78","0.002","13.386","0.002","15.197","0.002","90","","91.05","","90","","2802.8","0.7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 B F4 N5 O S2 Zn -","- C23 H32 B F4 N5 O S2 Zn -","- C92 H128 B4 F16 N20 O4 S8 Zn4 -","4","1","","Jennifer N. Smith; Zahida Shirin; Carl J. Carrano","Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies","Journal of the American Chemical Society","2003","125","","868","869","10.1021/ja029418i","","","0.71073","MoKα","","0.2045","0.0748","","0.1766","0.1156","","","","1.031","1.201","1.201","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113413","17.9119","0.0002","9.8395","0.0001","17.074","0.0002","90","","111.652","0.001","90","","2796.87","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N5 O3 S Zn -","- C26 H26 N5 O3 S Zn -","- C104 H104 N20 O12 S4 Zn4 -","4","1","","Jennifer N. Smith; Zahida Shirin; Carl J. Carrano","Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies","Journal of the American Chemical Society","2003","125","","868","869","10.1021/ja029418i","","","0.71073","MoKα","","0.0707","0.0476","","0.124","0.1136","","","","1.071","1.134","1.134","","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113414","5.8655","0.0002","10.3184","0.0004","13.7171","0.0007","77.207","0.002","88.146","0.002","75.752","0.002","784.47","0.06","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C40 H44 O4 -","2","1","","David F. Cauble; John D. Gipson; Michael J. Krische","Diastereo- and Enantioselective Catalytic Carbometallative Aldol Cycloreduction: Tandem Conjugate Addition-Aldol Cyclization","Journal of the American Chemical Society","2003","125","","1110","1111","10.1021/ja0211095","","","0.71073","MoKα","","0.0627","0.0438","","","0.0939","0.104","","","","","","1.002","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113415","8.31","0.0004","15.6828","0.0008","18.0724","0.0012","90","","90","","90","","2355.3","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 Fe N2 P S2 -","- C23 H31 Fe N2 P S2 -","- C92 H124 Fe4 N8 P4 S8 -","4","1","","Prasanta Ghosh; Eckhard Bill; Thomas Weyhermüller; Frank Neese; Karl Wieghardt","Noninnocence of the Ligand Glyoxal-bis(2-mercaptoanil). The Electronic Structures of [Fe(gma)]2, [Fe(gma)(py)].py, [Fe(gma)(CN)]1-/0, [Fe(gma)I], and [Fe(gma)(PR3)n] (n= 1, 2). Experimental and Theoretical Evidence for ""Excited State"" Coordination","Journal of the American Chemical Society","2003","125","","1293","1308","10.1021/ja021123h","","","0.71073","MoKα","","0.0619","0.0547","","0.109","0.1041","","","","1.215","1.241","1.241","","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113416","35.903","0.005","18.501","0.003","21.183","0.003","90","","115.992","0.003","90","","12647","3","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","UCR-18GaS-AEP","","","- Ga10 S19 -","- Ga10 S19 -","- Ga80 S152 -","8","1","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.1064","0.0641","","","0.2027","0.2224","","","","","","1.037","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113417","21.087","0.002","21.087","0.002","35.582","0.006","90","","90","","90","","15822","3","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","UCR-19ZnGaS-TETA","","","- Ga26 S51 Zn4 -","- Ga26 S51 Zn4 -","- Ga104 S204 Zn16 -","4","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.1229","0.0608","","","0.1943","0.2197","","","","","","1.001","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113418","22.595","0.003","22.595","0.003","40.905","0.008","90","","90","","90","","20883","6","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","UCR-5ZnGaS-BAPP","","","- Ga16 S33 Zn4 -","- Ga16 S33 Zn4 -","- Ga128 S264 Zn32 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.1436","0.0671","","","0.2434","0.2802","","","","","","0.931","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113419","19.201","0.002","19.201","0.002","29.815","0.004","90","","90","","90","","10992","2","293","2","293","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","UCR-7GaS-TETA","","","- Ga10 S18 -","- Ga10 S18 -","- Ga80 S144 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0753","0.0585","","","0.2341","0.2422","","","","","","1.129","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113420","19.22","0.003","19.22","0.003","29.866","0.006","90","","90","","90","","11033","3","293","2","293","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","UCR-7GaS-TAEA","","","- Ga10 S18 -","- Ga10 S18 -","- Ga80 S144 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0724","0.058","","","0.2256","0.2323","","","","","","1.147","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113421","19.7145","0.0018","19.7145","0.0018","30.995","0.004","90","","90","","90","","12047","2","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","UCR-7GaInS-TETA","","","- Ga4.5 In5.5 S18 -","- Ga4.6 In5.4 S18 -","- Ga36.8 In43.2 S144 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0957","0.0587","","","0.2376","0.2591","","","","","","1.255","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113422","20.318","0.002","20.318","0.002","31.994","0.005","90","","90","","90","","13208","3","293","2","293","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","UCR-7InS-AEP","","","- In5 S9 -","- In5 S9 -","- In80 S144 -","16","0.5","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0756","0.0474","","","0.1928","0.2054","","","","","","1.338","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113423","16.973","0.0016","16.973","0.0016","18.229","0.002","90","","90","","90","","5251.5","0.9","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C24 H33 Cl Cu N4 O5.5 S -","- C18 H9 Cl Cu N4 O4 S -","- C144 H72 Cl8 Cu8 N32 O32 S8 -","8","1","","Matthew E. Helton; Peng Chen; Partha P. Paul; Zoltán Tyeklár; Roger D. Sommer; Lev N. Zakharov; Arnold L. Rheingold; Edward I. Solomon; Kenneth D. Karlin","Reaction of Elemental Sulfur with a Copper(I) Complex Forming a trans-μ-1,2 End-On Disulfide Complex: New Directions in Copper-Sulfur Chemistry","Journal of the American Chemical Society","2003","125","","1160","1161","10.1021/ja027574j","","","0.71073","MoKα","","0.0859","0.072","","","0.1644","0.1709","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113424","7.8641","0.0002","8.2857","0.0002","18.2282","0.0005","102.388","","91.132","0.001","108.175","","1097.39","0.05","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","VOCl3 + carbene","","","- C21 H24 Cl3 N2 O V -","- C21 H24 Cl3 N2 O V -","- C42 H48 Cl6 N4 O2 V2 -","2","1","","Colin D. Abernethy; Gareth M. Codd; Mark D. Spicer; Michelle K. Taylor","A Highly Stable N-Heterocyclic Carbene Complex of Trichloro-oxo-vanadium(V) Displaying Novel Cl-Ccarbene Bonding Interactions","Journal of the American Chemical Society","2003","125","","1128","1129","10.1021/ja0276321","","x-ray","0.71073","MoKα","","0.0557","0.0363","","","0.0795","0.0873","","","","","","1.003","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113425","9.567","0.004","10.217","0.005","13.598","0.005","90","","108.139","0.018","90","","1263.1","0.9","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 Cl2 Si W -","- C26 H36 Cl2 Si W -","- C52 H72 Cl4 Si2 W2 -","2","1","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.027","0.0249","","","0.0599","0.0609","","","","","","1.058","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113426","10.257","0.003","14.744","0.006","13.261","0.005","90","","90","","90","","2005.5","1.3","243","2","243","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H34 Si W -","- C21 H33 Si W -","- C84 H132 Si4 W4 -","4","0.5","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.1317","0.0527","","","0.1049","0.1266","","","","","","1.01","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113427","8.599","0.004","11.415","0.006","11.722","0.006","90","","96.926","0.014","90","","1142.2","1","228","2","228","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C26 H36 Si W -","- C26 H36 Si W -","- C52 H72 Si2 W2 -","2","0.5","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.0507","0.0339","","","0.0599","0.0636","","","","","","1.05","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113428","10.2075","0.0005","13.2638","0.0006","15.3878","0.0007","102.851","0.001","106.165","0.001","95.854","0.001","1920.75","0.16","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 Si W -","- C20 H32 Si W -","- C80 H128 Si4 W4 -","4","2","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.0561","0.0337","","","0.0693","0.0762","","","","","","1.016","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113429","10.161","0.0005","14.9215","0.0008","13.4376","0.0007","90","","90","","90","","2037.37","0.18","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H36 Si W -","- C22 H36 Si W -","- C88 H144 Si4 W4 -","4","0.5","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.0209","0.0169","","","0.039","0.0404","","","","","","1.027","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113430","16.367","0.004","43.536","0.008","16.507","0.003","90","","101.856","0.007","90","","11511","4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H89.33 N4 Ni O9 -","- C68 H88.6667 N4 Ni O9 -","- C408 H532 N24 Ni6 O54 -","6","3","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.2427","0.1064","","","0.2465","0.2894","","","","","","1.158","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113431","20.795","0.0017","25.6061","0.0018","43.291","0.003","90","","90","","90","","23052","3","193","2","193","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C102.5 H135 N6 Ni1.5 O13.5 -","- C102.5 H122.5 N6 Ni1.5 O13.5 -","- C820 H980 N48 Ni12 O108 -","8","1","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.1943","0.0946","","","0.2254","0.2545","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113432","16.8288","0.0008","19.5869","0.0009","20.0979","0.0009","90","","110.327","0.001","90","","6212.2","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.5 H74.75 N4.25 Ni O9 -","- C60.5 H68.25 N4.25 Ni O9 -","- C242 H273 N17 Ni4 O36 -","4","2","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.0954","0.0637","","","0.1649","0.1772","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113433","12.8373","0.0005","23.787","0.0009","39.5612","0.0014","90","","90","","90","","12080.4","0.8","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61.25 H77.5 N4 Ni O9.5 -","- C61.25 H72 N4 Ni O9.5 -","- C490 H576 N32 Ni8 O76 -","8","2","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.1132","0.0625","","","0.1671","0.1866","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113434","11.038","0.004","11.68","0.004","18.45","0.004","90","","97.76","0.02","90","","2356.9","1.3","173","2","173","2","","","","","","","J. Miura / Prof. D. Burkey","6","P 1 21/n 1","-P 2yn","14","99179","","","- C19 H20 F6 O7 Ru S2 -","- C19 H20 F6 O7 Ru S2 -","- C76 H80 F24 O28 Ru4 S8 -","4","1","","Elsa L. Velarde; Rosary A. Stephen; Rena N. Mansour; Linh T. Hoang; David J. Burkey","Remarkably Favorable Hydration of Carbonyl Substituents in Dicationic Bis(arene) Ruthenium Complexes","Journal of the American Chemical Society","2003","125","","1188","1189","10.1021/ja028896q","","","0.71073","MoKα","","0.0726","0.0374","","0.0923","0.0831","","","","0.905","1.038","1.038","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113435","10.45","0.01","7.565","0.007","15.61","0.02","90","","103.45","0.01","90","","1200","2","293.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Cu O3 -","- C5 H3 Cu O3 -","- C40 H24 Cu8 O24 -","8","2","","Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo","Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand","Journal of the American Chemical Society","2003","125","","1152","1153","10.1021/ja029023z","","","0.7107","MoKα","","","0.0793","","","","0.0697","","","","","","1.658","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113436","10.474","0.007","6.166","0.004","13.777","0.009","90","","110.312","0.008","90","","834.4","1","293.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl Cu N O -","- C8 H7 Cl Cu N O -","- C32 H28 Cl4 Cu4 N4 O4 -","4","1","","Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo","Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand","Journal of the American Chemical Society","2003","125","","1152","1153","10.1021/ja029023z","","","0.7107","MoKα","","","0.029","","","","0.0395","","","","","","1.381","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113437","11.965","0.005","7.09","0.002","26.6","0.02","90","","112.783","0.005","90","","2080.5","1.9","293.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cu2 N2 O7 -","- C23 H16 Cu2 N2 O7 -","- C92 H64 Cu8 N8 O28 -","4","1","","Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo","Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand","Journal of the American Chemical Society","2003","125","","1152","1153","10.1021/ja029023z","","","0.7107","MoKα","","","0.0714","","","","0.0917","","","","","","2.433","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113438","11.4008","0.0009","11.4008","0.0009","9.0745","0.001","90","","90","","90","","1179.49","0.19","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Os3 Sc14 Te8 -","- Os3 Sc13.826 Te8 -","- Os6 Sc27.652 Te16 -","2","0.125","","Ling Chen; John D. Corbett","Remarkable Metal-Rich Ternary Chalcogenides Sc14M3Te8 (M = Ru, Os)","Journal of the American Chemical Society","2003","125","","1170","1171","10.1021/ja0291540","","","0.71073","MoKα","","0.0184","0.0169","","","0.0369","0.0375","","","","","","0.992","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113439","11.3332","0.0004","11.3332","0.0004","9.0793","0.0005","90","","90","","90","","1166.16","0.09","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Ru3 Sc14 Te8 -","- Ru3 Sc13.218 Te8 -","- Ru6 Sc26.436 Te16 -","2","0.125","","Ling Chen; John D. Corbett","Remarkable Metal-Rich Ternary Chalcogenides Sc14M3Te8 (M = Ru, Os)","Journal of the American Chemical Society","2003","125","","1170","1171","10.1021/ja0291540","","","0.71073","MoKα","","0.0571","0.0275","","","0.0433","0.0489","","","","","","1.034","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113440","9.9307","0.0014","15.139","0.002","13.712","0.002","90","","107.892","0.003","90","","1961.8","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H46 B O P3 Pd -","- C42 H46 B O P3 Pd -","- C84 H92 B2 O2 P6 Pd2 -","2","1","","Jillian R. Moncarz; Tim J. Brunker; David S. Glueck; Roger D. Sommer; Arnold L. Rheingold","Stereochemistry of Palladium-Mediated Synthesis of PAMP-BH3: Retention of Configuration at P in Formation of Pd-P and P-C Bonds","Journal of the American Chemical Society","2003","125","","1180","1181","10.1021/ja029404c","","","0.71073","MoKα","","0.1501","0.0787","","","0.1141","0.1389","","","","","","1.023","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113441","9.9565","0.0007","17.8335","0.0013","11.1574","0.0007","90","","91.672","0.001","90","","1980.3","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H46 B O P3 Pd -","- C42 H46 B O P3 Pd -","- C84 H92 B2 O2 P6 Pd2 -","2","1","","Jillian R. Moncarz; Tim J. Brunker; David S. Glueck; Roger D. Sommer; Arnold L. Rheingold","Stereochemistry of Palladium-Mediated Synthesis of PAMP-BH3: Retention of Configuration at P in Formation of Pd-P and P-C Bonds","Journal of the American Chemical Society","2003","125","","1180","1181","10.1021/ja029404c","","","0.71073","MoKα","","0.0764","0.0528","","","0.1109","0.126","","","","","","0.925","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113442","14.23","0.005","17.95","0.006","25.171","0.008","80.091","0.005","75.019","0.006","82.382","0.006","6092","4","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H73 B N8 O4 Zn -","- C62 H73 B N8 O4 Zn -","- C248 H292 B4 N32 O16 Zn4 -","4","2","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MoKα","","0.1545","0.0845","","","0.2199","0.2512","","","","","","1.118","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113443","6.8165","0.0006","10.0414","0.0009","12.702","0.0013","86.415","0.009","78.737","0.009","76.502","0.007","828.99","0.14","148","","148","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H25 N2 O4 -","- C17 H25 N2 O4 -","- C34 H50 N4 O8 -","2","1","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MolybdenumKα","","0.037","0.037","","0.044","0.044","","","","","1.94","1.94","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113444","12.582","0.003","17.693","0.004","24.37","0.005","90","","98.401","0.004","90","","5367","2","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H69 B Co N8 O4 -","- C56 H69 B Co N8 O4 -","- C224 H276 B4 Co4 N32 O16 -","4","1","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MoKα","","0.1086","0.0821","","","0.219","0.2306","","","","","","1.129","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113445","12.2081","0.0008","13.2504","0.0009","17.3758","0.0011","96.958","0.003","105.603","0.003","99.577","0.002","2628.4","0.3","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H71 B Cu N8 O5 -","- C57 H71 B Cu N8 O5 -","- C114 H142 B2 Cu2 N16 O10 -","2","1","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MoKα","","0.0993","0.0676","","","0.1956","0.21","","","","","","1.04","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113446","12.828","0.005","17.777","0.007","24.075","0.009","90","","104.274","0.006","90","","5321","4","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H69 B Mn N8 O4 -","- C224 H276 B4 Mn4 N32 O16 -","- C224 H276 B4 Mn4 N32 O16 -","1","0.25","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MoKα","","0.1258","0.1033","","","0.2558","0.2668","","","","","","1.193","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113447","12.1536","0.0009","13.2557","0.001","17.3931","0.0012","96.801","0.001","107.518","0.001","98.335","0.001","2604.6","0.3","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H69 B N8 Ni O4 -","- C56 H69 B N8 Ni O4 -","- C112 H138 B2 N16 Ni2 O8 -","2","1","","David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf","Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes","Journal of the American Chemical Society","2003","125","","1607","1617","10.1021/ja020715x","","","0.71073","MoKα","","0.0459","0.0322","","","0.0787","0.0818","","","","","","1.03","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113448","8.8771","0.0004","14.4198","0.0008","15.5546","0.0007","109.2","0.002","97.008","0.003","102.408","0.002","1795.89","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C31.5 H12 Cl15 Fe -","- C31.5 H11 Cl15 Fe -","- C63 H22 Cl30 Fe2 -","2","1","","Imma Ratera; Daniel Ruiz-Molina; Franz Renz; Jürgen Ensling; Klaus Wurst; Concepció Rovira; Philipp Gütlich; Jaume Veciana","A New Valence Tautomerism Example in an Electroactive Ferrocene Substituted Triphenylmethyl Radical","Journal of the American Chemical Society","2003","125","","1462","1463","10.1021/ja0282590","","","0.71073","MoKα","","0.0601","0.0425","","","0.1059","0.1137","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113449","20.717","0.004","12.898","0.002","19.394","0.003","90","","116.966","0.004","90","","4618.8","1.4","148","2","148","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 Ni O P2 -","- C22 H38 Ni O P2 -","- C176 H304 Ni8 O8 P16 -","8","2","","Juan Cámpora; Celia M. Maya; Pilar Palma; Ernesto Carmona; Enrique Gutiérrez-Puebla; Caridad Ruiz","Synthesis and Aldol Reactivity of O- and C-Enolate Complexes of Nickel","Journal of the American Chemical Society","2003","125","","1482","1483","10.1021/ja028711f","","","0.71073","MoKα","","0.2071","0.0898","","0.1853","0.1428","","","","0.968","1.164","1.164","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113450","12.685","0.002","22.058","0.003","10.448","0.002","90","","90","","90","","2923.4","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H43 Al N2 S2 -","- C29 H43 Al N2 S2 -","- C116 H172 Al4 N8 S8 -","4","0.5","","Vojtech Jancik; Ying Peng; Herbert W. Roesky; Jiyang Li; Dante Neculai; Ana M. Neculai; Regine Herbst-Irmer","The First Structurally Characterized Aluminum Compound with Two SH Groups: [LAl(SH)2] (L = N(Ar)C(Me)CHC(Me)N(Ar), Ar = 2,6-i-Pr2C6H3) and the Catalytic Properties of the Sulfur P(NMe2)3 System","Journal of the American Chemical Society","2003","125","","1452","1453","10.1021/ja028801k","","","1.54178","CuKα","","0.032","0.0292","","","0.0786","0.0805","","","","","","1.045","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113451","7.9871","0.0005","21.0604","0.0014","21.0566","0.0014","90","","95.072","0.001","90","","3528.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 B Ir N6 O9 -","- C33 H38 B Ir N6 O9 -","- C132 H152 B4 Ir4 N24 O36 -","4","1","","Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz","Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes","Journal of the American Chemical Society","2003","125","","1478","1479","10.1021/ja0290375","","","0.71073","MoKα","","0.0523","0.0351","","","0.0623","0.0658","","","","","","0.919","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113452","10.697","0.0012","23.316","0.003","16.9755","0.0019","90","","91.199","0.002","90","","4233","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","738mp N-81 IrTpm(H2O)(Acdim)3.H2O.CH2Cl2 in P2(1)/n","","","- C34 H46 B Cl2 Ir N6 O14 -","- C34 H46 B Cl2 Ir N6 O14 -","- C136 H184 B4 Cl8 Ir4 N24 O56 -","4","1","","Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz","Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes","Journal of the American Chemical Society","2003","125","","1478","1479","10.1021/ja0290375","","","0.71073","MoKα","","0.0312","0.0236","","","0.0501","0.0523","","","","","","1.059","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113453","10.0964","0.0015","10.9412","0.0016","15.692","0.002","81.541","0.003","85.535","0.003","64.231","0.003","1543.9","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H38 B Ir N6 O8 -","- C29 H38 B Ir N6 O8 -","- C58 H76 B2 Ir2 N12 O16 -","2","1","","Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz","Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes","Journal of the American Chemical Society","2003","125","","1478","1479","10.1021/ja0290375","","","0.71073","MoKα","","0.0228","0.0208","","","0.052","0.0528","","","","","","1.06","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113454","10.8078","0.001","11.2313","0.0011","16.667","0.002","86.748","0.002","85.128","0.002","76.649","0.002","1959.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H50 B Ir N6 O10 -","- C37 H50 B Ir N6 O10 -","- C74 H100 B2 Ir2 N12 O20 -","2","1","","Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz","Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes","Journal of the American Chemical Society","2003","125","","1478","1479","10.1021/ja0290375","","","0.71073","MoKα","","0.1241","0.0572","","0.1301","0.1037","","","","0.831","0.976","0.976","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113455","11.6037","0.0009","12.1858","0.0009","12.959","0.001","74.638","0.002","86.425","0.002","81.588","0.002","1747.4","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H38 B Ir N6 O9 -","- C33 H38 B Ir N6 O9 -","- C66 H76 B2 Ir2 N12 O18 -","2","1","","Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz","Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes","Journal of the American Chemical Society","2003","125","","1478","1479","10.1021/ja0290375","","","0.71073","MoKα","","0.032","0.0266","","","0.0665","0.0687","","","","","","1.062","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113456","9.619","0.008","36.11","0.02","10.078","0.018","90","","112.07","0.1","90","","3244","7","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H35 I N O P Pd -","- C36 H35 I N O P Pd -","- C144 H140 I4 N4 O4 P4 Pd4 -","4","1","","Daniel Solé; Lluís Vallverdú; Xavier Solans; Mercè Font-Bardía; Josep Bonjoch","Intramolecular Pd-Mediated Processes of Amino-Tethered Aryl Halides and Ketones: Insight into the Ketone α-Arylation and Carbonyl-Addition Dichotomy. A New Class of Four-Membered Azapalladacycles","Journal of the American Chemical Society","2003","125","","1587","1594","10.1021/ja029114w","","","0.71069","MoKα","","0.2056","0.0394","","","0.0423","0.0629","","","","","","0.758","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113457","9.719","0.001","20.633","0.001","17.793","0.001","90","","90.54","","90","","3567.9","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Cl2 I N O P Pd -","- C38 H35 Cl2 I N O P Pd -","- C152 H140 Cl8 I4 N4 O4 P4 Pd4 -","4","1","","Daniel Solé; Lluís Vallverdú; Xavier Solans; Mercè Font-Bardía; Josep Bonjoch","Intramolecular Pd-Mediated Processes of Amino-Tethered Aryl Halides and Ketones: Insight into the Ketone α-Arylation and Carbonyl-Addition Dichotomy. A New Class of Four-Membered Azapalladacycles","Journal of the American Chemical Society","2003","125","","1587","1594","10.1021/ja029114w","","","0.71069","MoKα","","0.0766","0.0319","","","0.088","0.1156","","","","","","0.906","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113458","16.4399","0.0008","18.299","0.0009","18.6637","0.0009","61.183","0.001","64.621","0.001","75.41","0.001","4437.3","0.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C73.5 H59.25 Al2 Cl0.25 F48 Ga Li O8 -","- C73.5 H59.25 Al2 Cl0.25 F48 Ga Li O8 -","- C147 H118.5 Al4 Cl0.5 F96 Ga2 Li2 O16 -","2","1","","Rudolf J. Wehmschulte; Jared M. Steele; Jackie D. Young; Masood A. Khan","[2,6-Mes2C6H3]2Ga+Li[Al{OCH(CF3)2}4]2- (Mes = 2,4,6-Me3C6H2): A Compound Containing a Linear Unsolvated Two-Coordinate Gallium Cation","Journal of the American Chemical Society","2003","125","","1470","1471","10.1021/ja029142e","","","0.71073","MoKα","","0.0565","0.047","","","0.1456","0.1518","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113459","8.5981","0.0004","9.3991","0.0005","27.067","0.0009","90","","97.482","0.004","90","","2168.78","0.17","16","","16","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 N Zr -","- C24 H35 N Zr -","- C96 H140 N4 Zr4 -","4","1","","Sebastien Pillet; Guang Wu; Vichien Kulsomphob; Benjamin G. Harvey; Richard D. Ernst; Philip Coppens","Investigation of Zr-C, Zr-N, and Potential Agostic Interactions in an Organozirconium Complex by Experimental Electron Density Analysis","Journal of the American Chemical Society","2003","125","","1937","1949","10.1021/ja021133i","","","0.6361","synchrotron","","0.0271","0.0271","","","0.0158","0.0158","","","","","","0.76","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113460","7.3895","0.0004","8.0891","0.0004","20.9195","0.0009","90","0.002","90","0.002","90","0.001","1250.45","0.11","90","1","90","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H19 Br2 N3 O Zn -","- C8 H19 Br2 N3 O Zn -","- C32 H76 Br8 N12 O4 Zn4 -","4","1","","Olga Iranzo; Andrey Y. Kovalevsky; Janet R. Morrow; John P. Richard","Physical and Kinetic Analysis of the Cooperative Role of Metal Ions in Catalysis of Phosphodiester Cleavage by a Dinuclear Zn(II) Complex","Journal of the American Chemical Society","2003","125","","1988","1993","10.1021/ja027728v","","","0.71073","MoKα","","0.0394","0.0334","","","0.0652","0.0663","","","","","","0.943","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113461","11.7153","0.0002","10.3734","0.0002","21.5665","0.0003","90","","96.472","0.001","90","","2604.22","0.08","90","1","90","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H37 Cl3 N6 O11 Zn2 -","- C15 H37 Cl3 N6 O11 Zn2 -","- C60 H148 Cl12 N24 O44 Zn8 -","4","1","","Olga Iranzo; Andrey Y. Kovalevsky; Janet R. Morrow; John P. Richard","Physical and Kinetic Analysis of the Cooperative Role of Metal Ions in Catalysis of Phosphodiester Cleavage by a Dinuclear Zn(II) Complex","Journal of the American Chemical Society","2003","125","","1988","1993","10.1021/ja027728v","","","0.71073","MoKα","","0.0729","0.0569","","","0.1322","0.1396","","","","","","1.069","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113462","11.057","0.0019","13.594","0.002","17.698","0.003","86.55","0.003","88.912","0.003","82.784","0.003","2634.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl N4 O6.5 Zn -","- C26 H27 Cl N4 O6.5 Zn -","- C104 H108 Cl4 N16 O26 Zn4 -","4","2","","Shawn C. Burdette; Christopher J. Frederickson; Weiming Bu; Stephen J. Lippard","ZP4, an Improved Neuronal Zn2+ Sensor of the Zinpyr Family","Journal of the American Chemical Society","2003","125","","1778","1787","10.1021/ja0287377","","","0.71073","MoKα","","0.0438","0.0366","","","0.0997","0.105","","","","","","0.98","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113463","10.09","0.002","11.7","0.004","13.043","0.004","64.363","0.013","89.406","0.019","84.44","0.03","1380.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 Cl Mn N4 O7.5 -","- C27 H25 Cl Mn N4 O7.5 -","- C54 H50 Cl2 Mn2 N8 O15 -","2","1","","Shawn C. Burdette; Christopher J. Frederickson; Weiming Bu; Stephen J. Lippard","ZP4, an Improved Neuronal Zn2+ Sensor of the Zinpyr Family","Journal of the American Chemical Society","2003","125","","1778","1787","10.1021/ja0287377","","","0.71073","MoKα","","0.0708","0.0499","","","0.1343","0.1455","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113464","9.097","0.005","11.636","0.006","13.037","0.01","73.86","0.03","73.97","0.06","72.24","0.03","1234.5","1.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl Cu N4 O6 -","- C26 H25 Cl Cu N4 O6 -","- C52 H50 Cl2 Cu2 N8 O12 -","2","1","","Shawn C. Burdette; Christopher J. Frederickson; Weiming Bu; Stephen J. Lippard","ZP4, an Improved Neuronal Zn2+ Sensor of the Zinpyr Family","Journal of the American Chemical Society","2003","125","","1778","1787","10.1021/ja0287377","","","0.71073","MoKα","","0.0637","0.05","","","0.1287","0.1377","","","","","","1.045","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113465","32.151","0.0002","17.229","0.0003","10.212","0.0001","90","","90","","90","","5656.73","0.12","296","2","296","2","","","","","","","","8","C m c 21","C 2c -2","36","MIL-50","","","- C12 H37 F7 Ga9 N4 O40.5 P9 Rb2 -","- C12 H36 F7 Ga9 N4 O39.75 P9 Rb2 -","- C48 H144 F28 Ga36 N16 O159 P36 Rb8 -","4","0.5","","Lionel Beitone; Jérôme Marrot; Thierry Loiseau; Gérard Férey; Marc Henry; Clarisse Huguenard; Axel Gansmuller; Francis Taulelle","MIL-50, an Open-Framework GaPO with a Periodic Pattern of Small Water Ponds and Dry Rubidium Atoms: a Combined XRD, NMR, and Computational Study","Journal of the American Chemical Society","2003","125","","1912","1922","10.1021/ja029072b","","","0.71073","MoKα","","0.0701","0.0509","","","0.1212","0.1423","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113466","24.9918","0.0019","6.3325","0.0005","32.709","0.002","90","","95.868","0.004","90","","5149.4","0.6","91","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tBuJeff*N3","","","- C60 H74 N6 -","- C60 H74 N6 -","- C240 H296 N24 -","4","1","","Robert J. Wright; Andrew D. Phillips; Thomas L. Allen; William H. Fink; Philip P. Power","Synthesis and Characterization of the Monomeric Imides Ar'MNAr'' (M = Ga or In; Ar' or Ar'' = Terphenyl Ligands) with Two-Coordinate Gallium and Indium","Journal of the American Chemical Society","2003","125","","1694","1695","10.1021/ja029422u","","","0.71073","MoKα","","0.0932","0.0728","","","0.2041","0.2196","","","","","","1.034","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113467","11.7036","0.0006","24.8171","0.0012","18.4566","0.0009","90","","91.438","0.001","90","","5359","0.5","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dipp*GaNtBuJeff*","","","- C63 H81 Ga N -","- C63 H81 Ga N -","- C252 H324 Ga4 N4 -","4","1","","Robert J. Wright; Andrew D. Phillips; Thomas L. Allen; William H. Fink; Philip P. Power","Synthesis and Characterization of the Monomeric Imides Ar'MNAr'' (M = Ga or In; Ar' or Ar'' = Terphenyl Ligands) with Two-Coordinate Gallium and Indium","Journal of the American Chemical Society","2003","125","","1694","1695","10.1021/ja029422u","","","0.71073","MoKα","","0.0755","0.0517","","","0.1172","0.1293","","","","","","1.017","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113468","11.7845","0.0016","24.639","0.003","18.441","0.002","90","","90.402","0.004","90","","5354.4","1.1","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dipp*InNtBuJeff*","","","- C63.5 H78 In N -","- C63.5 H78 In N -","- C254 H312 In4 N4 -","4","1","","Robert J. Wright; Andrew D. Phillips; Thomas L. Allen; William H. Fink; Philip P. Power","Synthesis and Characterization of the Monomeric Imides Ar'MNAr'' (M = Ga or In; Ar' or Ar'' = Terphenyl Ligands) with Two-Coordinate Gallium and Indium","Journal of the American Chemical Society","2003","125","","1694","1695","10.1021/ja029422u","","","0.71073","MoKα","","0.0726","0.0422","","","0.0875","0.1007","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113469","12.5962","0.0005","12.9219","0.0005","15.0517","0.0006","90","","109.212","0.001","90","","2313.48","0.16","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 B N8 O Re -","- C24 H24 B N8 O Re -","- C96 H96 B4 N32 O4 Re4 -","4","1","","Scott H. Meiere; Joseph M. Keane; T. Brent Gunnoe; Michal Sabat; W. Dean Harman","Binding and Activation of Aromatic Molecules by a Molybdenum π-Base","Journal of the American Chemical Society","2003","125","","2024","2025","10.1021/ja021057j","","","0.71073","MoKα","","0.0393","0.0277","","","0.0543","0.0571","","","","","","0.904","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113470","12.5704","0.0006","12.9054","0.0006","15.1635","0.0007","90","","109.529","0.001","90","","2318.4","0.19","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 B Mo N9 O -","- C23 H24 B Mo N9 O -","- C92 H96 B4 Mo4 N36 O4 -","4","1","","Scott H. Meiere; Joseph M. Keane; T. Brent Gunnoe; Michal Sabat; W. Dean Harman","Binding and Activation of Aromatic Molecules by a Molybdenum π-Base","Journal of the American Chemical Society","2003","125","","2024","2025","10.1021/ja021057j","","","0.71073","MoKα","","0.0936","0.0558","","","0.1076","0.12","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113471","17.1043","0.0005","19.7079","0.0006","22.3659","0.0008","90","","90","","90","","7539.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 B F20 N Pb -","- C36 H22 B F20 N Pb -","- C288 H176 B8 F160 N8 Pb8 -","8","1","","Thomas Müller; Christian Bauch; Markus Ostermeier; Michael Bolte; Norbert Auner","Norbornyl Cations of Group 14 Elements","Journal of the American Chemical Society","2003","125","","2158","2168","10.1021/ja021234g","","","0.71073","MoKα","","0.0592","0.0353","","","0.078","0.0844","","","","","","1.021","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113472","13.5318","0.0008","19.2882","0.0011","15.2523","0.0008","90","","111.847","0.001","90","","3695","0.4","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","5d(SnCl4","","","- C24 H50 Cl6 N6 O2 P2 Sn -","- C24 H50 Cl6 N6 O2 P2 Sn -","- C96 H200 Cl24 N24 O8 P8 Sn4 -","4","2","","Scott E. Denmark; Jiping Fu","Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes","Journal of the American Chemical Society","2003","125","","2208","2216","10.1021/ja021280g","","","0.71073","MoKα","","0.0363","0.0304","","","0.0758","0.0785","","","","","","1.019","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113473","14.898","0.003","18.01","0.003","12.42","0.002","90","","90","","90","","3332.4","1","193","2","193","2","","","","","","","","7","C 2 2 21","C 2c 2","20","7d(SnCl4","","","- C23 H46 Cl4 N6 O3 P2 Sn -","- C23 H44 Cl4 N6 O3 P2 Sn -","- C92 H176 Cl16 N24 O12 P8 Sn4 -","4","0.5","","Scott E. Denmark; Jiping Fu","Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes","Journal of the American Chemical Society","2003","125","","2208","2216","10.1021/ja021280g","","","0.71073","MoKα","","0.0766","0.0398","","","0.0612","0.0679","","","","","","0.92","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113474","10.332","0.002","10.332","0.002","39.809","0.016","90","","90","","120","","3680.3","1.8","193","2","193","2","","","","","","","","7","P 31","P 31","144","7c(SnCl4","","","- C26 H46 Cl16 N6 O2 P2 Sn -","- C26 H46 Cl16 N6 O2 P2 Sn -","- C78 H138 Cl48 N18 O6 P6 Sn3 -","3","1","","Scott E. Denmark; Jiping Fu","Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes","Journal of the American Chemical Society","2003","125","","2208","2216","10.1021/ja021280g","","","0.71073","MoKα","","0.1006","0.0948","","","0.2553","0.2593","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113475","12.644","0.002","17.879","0.002","9.382","0.001","90","","90","","90","","2120.9","0.5","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 F6 N O3 -","- C21 H19 F6 N O3 -","- C84 H76 F24 N4 O12 -","4","1","","Karel M. J. Brands; Joseph F. Payack; Jonathan D. Rosen; Todd D. Nelson; Alexander Candelario; Mark A. Huffman; Matthew M. Zhao; Jing Li; Bridgette Craig; Zhiguo J. Song; David M. Tschaen; Karl Hansen; Paul N. Devine; Philip J. Pye; Kai Rossen; Peter G. Dormer; Robert A. Reamer; Christopher J. Welch; David J. Mathre; Nancy N. Tsou; James M. McNamara; Paul J. Reider","Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation","Journal of the American Chemical Society","2003","125","","2129","2135","10.1021/ja027458g","","","1.54184","CuKα","","","0.128","","","0.315","","","","","1.078","1.078","","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113476","9.098","0.004","9.876","0.004","14.495","0.006","102.806","0.006","98.216","0.006","103.386","0.006","1209.3","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 F7 N O2 -","- C27 H22 F7 N O2 -","- C54 H44 F14 N2 O4 -","2","1","","Karel M. J. Brands; Joseph F. Payack; Jonathan D. Rosen; Todd D. Nelson; Alexander Candelario; Mark A. Huffman; Matthew M. Zhao; Jing Li; Bridgette Craig; Zhiguo J. Song; David M. Tschaen; Karl Hansen; Paul N. Devine; Philip J. Pye; Kai Rossen; Peter G. Dormer; Robert A. Reamer; Christopher J. Welch; David J. Mathre; Nancy N. Tsou; James M. McNamara; Paul J. Reider","Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation","Journal of the American Chemical Society","2003","125","","2129","2135","10.1021/ja027458g","","","0.71073","MoKα","","0.061","0.046","","","0.1188","0.127","","","","","","0.978","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113477","11.547","0.001","7.422","0.001","14.5184","0.0008","90","","100.326","0.007","90","","1224.1","0.2","294","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 F7 N O2 -","- C27 H22 F7 N O2 -","- C54 H44 F14 N2 O4 -","2","1","","Karel M. J. Brands; Joseph F. Payack; Jonathan D. Rosen; Todd D. Nelson; Alexander Candelario; Mark A. Huffman; Matthew M. Zhao; Jing Li; Bridgette Craig; Zhiguo J. Song; David M. Tschaen; Karl Hansen; Paul N. Devine; Philip J. Pye; Kai Rossen; Peter G. Dormer; Robert A. Reamer; Christopher J. Welch; David J. Mathre; Nancy N. Tsou; James M. McNamara; Paul J. Reider","Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation","Journal of the American Chemical Society","2003","125","","2129","2135","10.1021/ja027458g","","","1.54184","CuKα","","","0.076","","","0.222","0.257","","","","1.057","1.057","1.038","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113478","9.046","0.001","10.855","0.001","16.774","0.002","88.952","0.002","88.918","0.002","87.495","0.002","1645","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","01382","","","- C57 H54 Cl2 F12 Fe2 N8 O12 S4 -","- C57 H54 Cl2 F12 Fe2 N8 O12 S4 -","- C57 H54 Cl2 F12 Fe2 N8 O12 S4 -","1","0.5","","Michael P. Jensen; Steven J. Lange; Mark P. Mehn; Emily L. Que; Lawrence Que","Biomimetic Aryl Hydroxylation Derived from Alkyl Hydroperoxide at a Nonheme Iron Center. Evidence for an FeIVO Oxidant","Journal of the American Chemical Society","2003","125","","2113","2128","10.1021/ja028478l","","","0.71073","MoKα","","0.0798","0.0487","","","0.0916","0.1002","","","","","","1.016","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113479","12.013","0.002","9.933","0.002","25.193","0.005","90","","93.057","0.004","90","","3001.9","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","01144","","","- C27 H24 F6 Fe N4 O7 S2 -","- C27 H24 F6 Fe N4 O7 S2 -","- C108 H96 F24 Fe4 N16 O28 S8 -","4","1","","Michael P. Jensen; Steven J. Lange; Mark P. Mehn; Emily L. Que; Lawrence Que","Biomimetic Aryl Hydroxylation Derived from Alkyl Hydroperoxide at a Nonheme Iron Center. Evidence for an FeIVO Oxidant","Journal of the American Chemical Society","2003","125","","2113","2128","10.1021/ja028478l","","","0.71073","MoKα","","0.0442","0.036","","","0.0952","0.103","","","","","","1.038","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113480","14.7106","0.0008","10.4709","0.0004","11.954","0.0006","90","","90","","90","","1841.31","0.15","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 Au Cl10 Tl -","- C12 Au Cl10 Tl -","- C48 Au4 Cl40 Tl4 -","4","0.5","","Eduardo J. Fernández; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Javier Pérez; Antonio Laguna; Ahmed A. Mohamed; John P. Fackler","{Tl[Au(C6Cl5)2]}n: A Vapochromic Complex","Journal of the American Chemical Society","2003","125","","2022","2023","10.1021/ja028734u","","","0.7107","MoKα","","0.0494","0.0282","","","0.057","0.0623","","","","","","1.055","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113481","16.047","0.001","19.51","0.002","4.8643","0.0003","90.07","0.005","90.132","0.003","90.096","0.004","1522.9","0.2","296.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C17 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","4","","Naoya Kumagai; Shigeki Matsunaga; Tomofumi Kinoshita; Shinji Harada; Shigemitsu Okada; Shigeru Sakamoto; Kentaro Yamaguchi; Masakatsu Shibasaki","Direct Catalytic Asymmetric Aldol Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex","Journal of the American Chemical Society","2003","125","","2169","2178","10.1021/ja028926p","","","0.7107","MoKα","","","0.0822","","","","0.2184","","","","","","1.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113482","15.467","0.003","11.661","0.002","17.591","0.003","90","","115.373","0.003","90","","2866.7","0.9","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 B Cl2 F4 O2 Ru S -","- C27 H29 B Cl2 F4 O2 Ru S -","- C108 H116 B4 Cl8 F16 O8 Ru4 S4 -","4","1","","Paul A. Vecchi; Arkady Ellern; Robert J. Angelici","Synthetic, Structural and Binding Studies of the 4,6-Dimethyldibenzothiophene Complex [(η5-C5Me5)Ru(CO)2(η1(S)-4,6-Me2DBT)]BF4: Toward an Understanding of Deep Hydrodesulfurization","Journal of the American Chemical Society","2003","125","","2064","2065","10.1021/ja029230z","","","0.71073","MoKα","","0.0451","0.0318","","","0.0859","0.0915","","","","","","1.071","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113483","28.147","0.005","10.726","0.002","16.723","0.003","90","","106.583","0.004","90","","4838.8","1.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 B F4 O2 Ru S -","- C25 H25 B F4 O2 Ru S -","- C200 H200 B8 F32 O16 Ru8 S8 -","8","2","","Paul A. Vecchi; Arkady Ellern; Robert J. Angelici","Synthetic, Structural and Binding Studies of the 4,6-Dimethyldibenzothiophene Complex [(η5-C5Me5)Ru(CO)2(η1(S)-4,6-Me2DBT)]BF4: Toward an Understanding of Deep Hydrodesulfurization","Journal of the American Chemical Society","2003","125","","2064","2065","10.1021/ja029230z","","","0.71073","MoKα","","0.0585","0.0348","","","0.0794","0.0858","","","","","","0.984","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113484","10.8541","0.0014","11.6452","0.0015","19.156","0.003","90","","105.468","0.002","90","","2333.6","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 B F4 O2 Ru S -","- C24 H23 B F4 O2 Ru S -","- C96 H92 B4 F16 O8 Ru4 S4 -","4","1","","Paul A. Vecchi; Arkady Ellern; Robert J. Angelici","Synthetic, Structural and Binding Studies of the 4,6-Dimethyldibenzothiophene Complex [(η5-C5Me5)Ru(CO)2(η1(S)-4,6-Me2DBT)]BF4: Toward an Understanding of Deep Hydrodesulfurization","Journal of the American Chemical Society","2003","125","","2064","2065","10.1021/ja029230z","","","0.71073","MoKα","","0.0358","0.0261","","","0.0664","0.0698","","","","","","1.011","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113485","27.154","0.007","12.48","0.05","41.59","0.01","90","","95.94","0.02","90","","14018","6","293.2","","293.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H85 N8 O12.5 -","- C70 H83 N8 O12.5 -","- C560 H664 N64 O100 -","8","1","","Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Mechanically Linked Polycarbonate","Journal of the American Chemical Society","2003","125","","2200","2207","10.1021/ja0292546","","","1.5418","CuKα","","","0.0936","","","","0.0887","","","","","","2.62","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113486","12.7081","0.0001","16.9611","0.0002","17.2671","0.0002","84.876","0.001","68.53","0.001","87.936","0.001","3449.69","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C70.5 H90 N8 O14.5 -","- C70.5 H90 N8 O14.5 -","- C141 H180 N16 O29 -","2","1","","Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Mechanically Linked Polycarbonate","Journal of the American Chemical Society","2003","125","","2200","2207","10.1021/ja0292546","","","0.6874","MoKα","","0.2733","0.1055","","0.3197","0.2373","","","","0.956","1.299","1.299","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113487","11.37","0.01","12.39","0.01","23.492","0.007","90","","93.7","0.05","90","","3303","4","293.2","","293.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H42 N4 O6 -","- C35 H41 N4 O6 -","- C140 H164 N16 O24 -","4","1","","Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Mechanically Linked Polycarbonate","Journal of the American Chemical Society","2003","125","","2200","2207","10.1021/ja0292546","","","1.5418","CuKα","","","0.1068","","","","0.0624","","","","","","2.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113488","16.3629","0.0006","25.1227","0.0009","16.8767","0.0006","90","","91.036","0.002","90","","6936.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H97 N8 O13.5 -","- C73 H88 N8 O13.5 -","- C292 H352 N32 O54 -","4","1","","Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Mechanically Linked Polycarbonate","Journal of the American Chemical Society","2003","125","","2200","2207","10.1021/ja0292546","","","0.6893","synchrotron","","0.1205","0.093","","","0.2553","0.2695","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113489","16.0178","0.0003","23.195","0.0006","23.2949","0.0005","71.331","0.001","83.937","0.001","79.565","0.001","8053.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H100 N8 O11 -","- C78 H98 N8 O11 -","- C312 H392 N32 O44 -","4","2","","Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Mechanically Linked Polycarbonate","Journal of the American Chemical Society","2003","125","","2200","2207","10.1021/ja0292546","","","0.71073","MoKα","","0.3135","0.168","","0.5043","0.4019","","","","0.933","1.588","1.588","","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113490","14.69","0.0001","60.505","0.0007","11.762","0.0001","90","","90","","90","","10454.3","0.17","200","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H31 Fe O6 P3 S -","- C22 H31 Fe O6 P3 S -","- C352 H496 Fe16 O96 P48 S16 -","16","1","","Tsutomu Mizuta; Yuki Imamura; Katsuhiko Miyoshi","Ring-Opening Reaction of Phosphorus-Bridged [1]Ferrocenophane via Ring Slippage from η5- to η1-Cp","Journal of the American Chemical Society","2003","125","","2068","2069","10.1021/ja029297m","","","0.7107","MoKα","","","0.0374","","","","0.0666","","","","","","1.323","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113491","11.96","0.005","19.135","0.008","13.097","0.005","90","","99.847","0.005","90","","2953","2","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Mo S2 Si4 -","- C24 H42 Mo S2 Si4 -","- C96 H168 Mo4 S8 Si16 -","4","1","","Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Unusual Coordination Modes of Arylthiolates in Mo{η5-SC6H3-2,6-(SiMe3)2}{η7-SC6H3-2,6-(SiMe3)2}","Journal of the American Chemical Society","2003","125","","2070","2071","10.1021/ja029541+","","","0.7107","MoKα","","","0.05","","","","0.129","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113492","11.496","0.008","15.287","0.009","13.237","0.009","90","","114.96","0.01","90","","2109","2","173.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H54 Mo N4 S2 Si4 -","- C32 H54 Mo N4 S2 Si4 -","- C64 H108 Mo2 N8 S4 Si8 -","2","1","","Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Unusual Coordination Modes of Arylthiolates in Mo{η5-SC6H3-2,6-(SiMe3)2}{η7-SC6H3-2,6-(SiMe3)2}","Journal of the American Chemical Society","2003","125","","2070","2071","10.1021/ja029541+","","","0.7107","MoKα","","","0.059","","","","0.168","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113493","12.395","0.005","17.433","0.006","20.061","0.008","90","","90.849","0.005","90","","4334","3","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H51 Mo S3 Si3 -","- C45 H51 Mo S3 Si3 -","- C180 H204 Mo4 S12 Si12 -","4","1","","Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Unusual Coordination Modes of Arylthiolates in Mo{η5-SC6H3-2,6-(SiMe3)2}{η7-SC6H3-2,6-(SiMe3)2}","Journal of the American Chemical Society","2003","125","","2070","2071","10.1021/ja029541+","","","0.7107","MoKα","","","0.055","","","","0.142","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113494","10.0834","0.0013","17.335","0.002","25.586","0.003","90","","90","","90","","4472.3","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C78 H15 Cl3 S2 -","- C78 H15 Cl3 S2 -","- C312 H60 Cl12 S8 -","4","1","","Wenyuan Qian; Shih-Ching Chuang; Roberto B. Amador; Thibaut Jarrosson; Michael Sander; Susan Pieniazek; Saeed I. Khan; Yves Rubin","Synthesis of Stable Derivatives of C62: The First Nonclassical Fullerene Incorporating a Four-Membered Ring","Journal of the American Chemical Society","2003","125","","2066","2067","10.1021/ja029679s","","","0.71073","MoKα","","0.1112","0.0586","","","0.1355","0.1584","","","","","","0.968","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113495","17.874","0.0014","10.3011","0.0008","24.4161","0.0019","90","","102.156","0.002","90","","4394.7","0.6","213","2","213","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","tetrakis(N,N'-diphenylformamidinato)divanadium(II,II)","","- C52 H44 N8 V2 -","- C52 H44 N8 V2 -","- C208 H176 N32 V8 -","4","1","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo","A Highly Reduced V23+ Unit with a Metal-Metal Bond Order of 3.5","Journal of the American Chemical Society","2003","125","","2026","2027","10.1021/ja029792i","","","0.71073","MoKα","","0.0892","0.0568","","","0.1361","0.1533","","","","","","1.02","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113496","20.2487","0.001","12.4492","0.0006","22.9565","0.0012","90","","90","","90","","5786.9","0.5","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Potassium tetrakis(N,N'-diphenylformamidinate)divanadate(I,II)","","- C64 H68 K N8 O3 V2 -","- C64 H68 K N8 O3 V2 -","- C256 H272 K4 N32 O12 V8 -","4","1","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo","A Highly Reduced V23+ Unit with a Metal-Metal Bond Order of 3.5","Journal of the American Chemical Society","2003","125","","2026","2027","10.1021/ja029792i","","","0.71073","MoKα","","0.0809","0.0456","","","0.0814","0.0948","","","","","","1.022","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113497","29.38","0.01","7.473","0.008","10.371","0.007","90","","90","","90","","2277","3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H30 N2 O7 -","- C24 H30 N2 O7 -","- C96 H120 N8 O28 -","4","1","","Carina E. Cannizzaro; Jon A. Ashley; K. D. Janda; K. N. Houk","Experimental Determination of the Absolute Enantioselectivity of an Antibody-Catalyzed Diels-Alder Reaction and Theoretical Explorations of the Origins of Stereoselectivity","Journal of the American Chemical Society","2003","125","","2489","2506","10.1021/ja020879d","","","1.5418","CuKα","","0.0414","0.036","","","0.0958","0.1006","","","","","","1.034","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113498","22.2675","0.0015","19.8014","0.0014","22.5546","0.0015","90","","113.569","0.001","90","","9115.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H65 N O2 W -","- C50 H65 N O2 W -","- C400 H520 N8 O16 W8 -","8","1","","W. C. Peter Tsang; Kai C. Hultzsch; John B. Alexander; Peter J. Bonitatebus; Richard R. Schrock; Amir H. Hoveyda","Alkylidene and Metalacyclic Complexes of Tungsten that Contain a Chiral Biphenoxide Ligand. Synthesis, Asymmetric Ring-Closing Metathesis, and Mechanistic Investigations","Journal of the American Chemical Society","2003","125","","2652","2666","10.1021/ja0210603","","","0.71073","MoKα","","0.1026","0.0887","","","0.1437","0.1478","","","","","","1.397","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4113499","10.188","0.0016","10.8869","0.0017","21.512","0.003","75.914","0.003","80.904","0.002","65.334","0.002","2098.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H63 N O3 W -","- C45 H63 N O3 W -","- C90 H126 N2 O6 W2 -","2","1","","W. C. Peter Tsang; Kai C. Hultzsch; John B. Alexander; Peter J. Bonitatebus; Richard R. Schrock; Amir H. Hoveyda","Alkylidene and Metalacyclic Complexes of Tungsten that Contain a Chiral Biphenoxide Ligand. Synthesis, Asymmetric Ring-Closing Metathesis, and Mechanistic Investigations","Journal of the American Chemical Society","2003","125","","2652","2666","10.1021/ja0210603","","","0.71073","MoKα","","0.0292","0.0281","","","0.0701","0.0708","","","","","","1.118","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113500","9.8362","0.0007","10.226","0.0007","10.8212","0.0008","114.171","0.001","108.499","0.001","91.328","0.001","926.85","0.11","98","","98","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H67 Cl O P2 Ru -","- C37 H67 Cl O P2 Ru -","- C37 H67 Cl O P2 Ru -","1","0.5","","Tina M. Trnka; John P. Morgan; Melanie S. Sanford; Thomas E. Wilhelm; Matthias Scholl; Tae-Lim Choi; Sheng Ding; Michael W. Day; Robert H. Grubbs","Synthesis and Activity of Ruthenium Alkylidene Complexes Coordinated with Phosphine and N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","2546","2558","10.1021/ja021146w","","","0.71073","MoKα","","0.0353","0.0303","","","0.0627","0.0638","","","","","","1.523","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113501","10.2758","0.0009","13.0394","0.0011","14.7233","0.0013","92.336","0.002","103.428","0.001","91.814","0.001","1915.5","0.3","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.5 H59 Cl2 N2 O P Ru -","- C40.5 H59 Cl2 N2 O P Ru -","- C81 H118 Cl4 N4 O2 P2 Ru2 -","2","1","","Tina M. Trnka; John P. Morgan; Melanie S. Sanford; Thomas E. Wilhelm; Matthias Scholl; Tae-Lim Choi; Sheng Ding; Michael W. Day; Robert H. Grubbs","Synthesis and Activity of Ruthenium Alkylidene Complexes Coordinated with Phosphine and N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","2546","2558","10.1021/ja021146w","","","0.71073","MoKα","","0.0503","0.0383","","","0.0807","0.0832","","","","","","1.187","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113502","11.663","0.003","14.676","0.004","25.176","0.007","94.523","0.005","95.698","0.004","90.666","0.005","4274","2","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H56 Cl2 N4 Ru -","- C49 H56 Cl2 N4 Ru -","- C196 H224 Cl8 N16 Ru4 -","4","2","","Tina M. Trnka; John P. Morgan; Melanie S. Sanford; Thomas E. Wilhelm; Matthias Scholl; Tae-Lim Choi; Sheng Ding; Michael W. Day; Robert H. Grubbs","Synthesis and Activity of Ruthenium Alkylidene Complexes Coordinated with Phosphine and N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","2546","2558","10.1021/ja021146w","","","0.71073","MoKα","","0.0857","0.0421","","","0.0629","0.0696","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113503","10.9897","0.0008","16.5354","0.0013","21.4911","0.0016","90","","90","","90","","3905.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H59 Mo N O2 -","- C44 H59 Mo N O2 -","- C176 H236 Mo4 N4 O8 -","4","1","","W. C. Peter Tsang; Jesper A. Jernelius; G. A. Cortez; Gabriel S. Weatherhead; Richard R. Schrock; Amir H. Hoveyda","An Enantiomerically Pure Adamantylimido Molybdenum Alkylidene Complex. An Effective New Catalyst for Enantioselective Olefin Metathesis","Journal of the American Chemical Society","2003","125","","2591","2596","10.1021/ja021204d","","","0.71073","MoKα","","0.0289","0.0268","","","0.0626","0.0633","","","","","","1.07","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113504","11.073","0.003","25.216","0.006","16.324","0.004","90","","99.21","0.02","90","","4499","2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 Cl2 F6 P3 Ru -","- C51 H45 Cl2 F6 P3 Ru -","- C204 H180 Cl8 F24 P12 Ru4 -","4","1","","Patricia Álvarez; Elena Lastra; José Gimeno; Mauro Bassetti; Larry R. Falvello","Formation of a Cyclobutylidene Ring: Intramolecular [2 + 2] Cycloaddition of Allyl and Vinylidene CC Bonds under Mild Conditions","Journal of the American Chemical Society","2003","125","","2386","2387","10.1021/ja027209s","","","0.71073","MoKα","","0.1052","0.0556","","","0.1299","0.1517","","","","","","1.044","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113505","13.316","0.001","13.5443","0.0012","16.085","0.0013","90","","108.467","0.005","90","","2751.6","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H30 Cl2 Co N12 O8 -","- C18 H30 Cl2 Co N12 O8 -","- C72 H120 Cl8 Co4 N48 O32 -","4","1","","Jeffrey C. Yoder; Justine P. Roth; Emily M. Gussenhoven; Anna S. Larsen; James M. Mayer","Electron and Hydrogen-Atom Self-Exchange Reactions of Iron and Cobalt Coordination Complexes","Journal of the American Chemical Society","2003","125","","2629","2640","10.1021/ja0273905","","","0.71074","MoKα","","0.0785","0.0545","","","0.1285","0.1521","","","","","","1.094","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113506","12.9233","0.0003","19.8358","0.0006","21.2816","0.0006","113.596","0.0014","97.8952","0.0014","106.096","0.0012","4608.3","0.2","161","2","161","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.67 H31 Cl3 Co N12.33 O12 -","- C18.6667 H31 Cl3 Co N12.3333 O12 -","- C112 H186 Cl18 Co6 N74 O72 -","6","3","","Jeffrey C. Yoder; Justine P. Roth; Emily M. Gussenhoven; Anna S. Larsen; James M. Mayer","Electron and Hydrogen-Atom Self-Exchange Reactions of Iron and Cobalt Coordination Complexes","Journal of the American Chemical Society","2003","125","","2629","2640","10.1021/ja0273905","","","0.7107","MoKα","","0.0816","0.0482","","","0.1173","0.1343","","","","","","0.995","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113507","11.8269","0.0008","19.9881","0.0014","14.2144","0.001","90","","112.229","0.001","90","","3110.5","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Cl3 Co N O3 P2 -","- C28 H31 Cl3 Co N O3 P2 -","- C112 H124 Cl12 Co4 N4 O12 P8 -","4","1","","Javier Sánchez-Nieves; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","A Thermally Stable and Sterically Unprotected Terminal Electrophilic Phosphinidene Complex of Cobalt and Its Conversion to an η1-Phosphirene","Journal of the American Chemical Society","2003","125","","2404","2405","10.1021/ja028303b","","","0.71073","MoKα","","0.0592","0.0393","","","0.0974","0.1045","","","","","","1.074","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113508","12.526","0.0006","12.8291","0.0006","20.4241","0.001","90","","90","","90","","3282.1","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Al Cl4 Co N O3 P2 -","- C27 H29 Al Cl4 Co N O3 P2 -","- C108 H116 Al4 Cl16 Co4 N4 O12 P8 -","4","1","","Javier Sánchez-Nieves; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","A Thermally Stable and Sterically Unprotected Terminal Electrophilic Phosphinidene Complex of Cobalt and Its Conversion to an η1-Phosphirene","Journal of the American Chemical Society","2003","125","","2404","2405","10.1021/ja028303b","","","0.71073","MoKα","","0.0599","0.038","","","0.0822","0.0896","","","","","","1.022","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113509","12.3668","0.0005","13.0461","0.0006","15.9147","0.0007","88.193","0.001","75.292","0.001","73.836","0.001","2383.22","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C41.5 H40 Al Cl5 Co N O3 P2 -","- C41.44 H39.95 Al Cl5 Co N O3 P2 -","- C82.88 H79.9 Al2 Cl10 Co2 N2 O6 P4 -","2","1","","Javier Sánchez-Nieves; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","A Thermally Stable and Sterically Unprotected Terminal Electrophilic Phosphinidene Complex of Cobalt and Its Conversion to an η1-Phosphirene","Journal of the American Chemical Society","2003","125","","2404","2405","10.1021/ja028303b","","","0.71073","MoKα","","0.0791","0.0487","","","0.165","0.1794","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113510","12.446","0.002","18.815","0.004","20.58","0.004","90","","92.692","0.006","90","","4813.9","1.6","90","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ar*GaB(C6F5)3","","","- C54 H49 B F15 Ga -","- C54 H49 B F15 Ga -","- C216 H196 B4 F60 Ga4 -","4","1","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0849","0.0527","","","0.127","0.1508","","","","","","1.01","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113511","18.4464","0.0009","20.6011","0.001","25.3976","0.0012","90","","90","","90","","9651.5","0.8","90","2","90","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Ar'4*Ga11","","","- C213 H200 Ga22 -","- C213 H200 Ga22 -","- C426 H400 Ga44 -","2","0.5","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0802","0.0493","","","0.1124","0.1258","","","","","","1.03","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113512","11.9331","0.0009","12.5786","0.0009","17.8282","0.0013","90.9","0.001","97.647","0.001","107.331","0.001","2527.5","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Ar#GaB(C6F5)3","","","- C56 H53 B F15 Ga -","- C56 H53 B F15 Ga -","- C112 H106 B2 F30 Ga2 -","2","1","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0474","0.0378","","","0.1123","0.1228","","","","","","1.029","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113513","9.2139","0.0007","16.7871","0.0013","24.6129","0.0019","90","","92.268","0.002","90","","3804","0.5","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ar#Li(Et2O)","","","- C42 H63 Li O -","- C42 H63 Li O -","- C168 H252 Li4 O4 -","4","1","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0693","0.0579","","","0.1667","0.1774","","","","","","1.021","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113514","22.0914","0.0008","16.5373","0.0006","10.541","0.0004","90","","90","","90","","3851","0.2","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Dipp2N^NGaFe(CO)4","","","- C40 H49 Fe Ga N2 O4 -","- C40.84 H46 Fe Ga N2 O4 -","- C163.36 H184 Fe4 Ga4 N8 O16 -","4","0.5","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0412","0.033","","","0.0886","0.0948","","","","","","1.048","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113515","9.047","0.0004","26.8579","0.0011","15.3625","0.0006","90","","94.269","0.001","90","","3722.5","0.3","91","2","91","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(Ar*Ga(CH2C(CH3))2)2","","","- C84 H118 Ga2 -","- C84 H118 Ga2 -","- C168 H236 Ga4 -","2","0.5","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0982","0.0509","","","0.1103","0.1262","","","","","","0.783","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113516","17.216","0.002","22.819","0.005","22.301","0.003","90","","102.876","0.005","90","","8541","2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ar'GaB(C6F5)3","","","- C48 H37 B F15 Ga -","- C48 H37 B F15 Ga -","- C384 H296 B8 F120 Ga8 -","8","2","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0948","0.0555","","","0.1165","0.1381","","","","","","1.087","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113517","13.969","0.009","15.832","0.011","17.957","0.009","89.5","0.03","71.97","0.02","89.94","0.03","3776","4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(Ar*GaI)2.2C6H6","","","- C84 H110 Ga2 I2 -","- C84 H110 Ga2 I2 -","- C168 H220 Ga4 I4 -","2","1","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0722","0.0604","","","0.1466","0.1577","","","","","","1.015","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113518","16.9713","0.0007","15.6743","0.0006","14.2523","0.0006","90","","105.555","0.001","90","","3652.4","0.3","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C60 H88 O20 P4 Sn6 -","- C60 H88 O20 P4 Sn6 -","- C120 H176 O40 P8 Sn12 -","2","0.25","","Vadapalli Chandrasekhar; Viswanathan Baskar; Jagadese J. Vittal","A New Structural Form of Tin in a Double O-Capped Cluster","Journal of the American Chemical Society","2003","125","","2392","2393","10.1021/ja0287478","","","0.71073","MoKα","","0.0349","0.0282","","","0.0615","0.063","","","","","","1.019","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113519","9.1071","0.0008","12.029","0.001","12.839","0.001","90","","98.839","0.008","90","","1389.8","0.2","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O4 -","- C15 H17 O4 -","- C60 H68 O16 -","4","1","","Shinji Harada; Naoya Kumagai; Tomofumi Kinoshita; Shigeki Matsunaga; Masakatsu Shibasaki","Direct Catalytic Asymmetric Michael Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex","Journal of the American Chemical Society","2003","125","","2582","2590","10.1021/ja028928+","","","0.7107","MoKα","","","0.056","","","","0.1525","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113520","18.191","0.001","18.649","0.001","6.0329","0.0003","90","","90","","90","","2046.62","0.19","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Cl O4 -","- C24 H20 Cl O4 -","- C96 H80 Cl4 O16 -","4","1","","Shinji Harada; Naoya Kumagai; Tomofumi Kinoshita; Shigeki Matsunaga; Masakatsu Shibasaki","Direct Catalytic Asymmetric Michael Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex","Journal of the American Chemical Society","2003","125","","2582","2590","10.1021/ja028928+","","","0.7107","MoKα","","","0.0281","","","","0.0704","","","","","","0.524","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113521","5.2036","0.0001","8.4948","0.0001","36.9415","0.0004","90","","90.042","0.001","90","","1632.94","0.04","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O2 -","- C16 H30 O2 -","- C64 H120 O8 -","4","1","","Weishi Miao; Wenshuo Lu; Tak Hang Chan","Remarkable 1,6-Acyclic Diastereoselection in the Coupling of a Novel Butadienyl Di-indium Compound with Aldehydes","Journal of the American Chemical Society","2003","125","","2412","2413","10.1021/ja0295467","","","1.54178","CuKα","","0.0713","0.0552","","","0.1634","0.1749","","","","","","1.006","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113522","22.9918","0.0003","23.086","0.0003","23.0773","0.0005","90","","90.755","0.001","90","","12248.1","0.3","193","2","143","2","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H108 N10 Re -","- C55 H104.5 N10 Re -","- C440 H836 N80 Re8 -","8","2","","Miriam V. Bennett; Jeffrey R. Long","New Cyanometalate Building Units: Synthesis and Characterization of [Re(CN)7]3- and [Re(CN)8]3-","Journal of the American Chemical Society","2003","125","","2394","2395","10.1021/ja029795v","","","0.71073","MoKα","","0.1165","0.0541","","0.1489","0.125","","","","1.249","1.364","1.364","","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113523","7.5397","0.0003","12.5924","0.0006","19.7366","0.0011","78.868","0.001","87.873","0.002","88.026","0.002","1836.62","0.15","293","2","136","2","","","","","","","synthetic","6","P -1","-P 1","2","","","","- C7 H16 Mn2 N7 O8 Re -","- C14 Mn4 N14 O16 Re2 -","- C28 Mn8 N28 O32 Re4 -","2","1","","Miriam V. Bennett; Jeffrey R. Long","New Cyanometalate Building Units: Synthesis and Characterization of [Re(CN)7]3- and [Re(CN)8]3-","Journal of the American Chemical Society","2003","125","","2394","2395","10.1021/ja029795v","","","0.71073","MoKα","","0.0888","0.0552","","0.1566","0.1372","","","","1.034","1.104","1.104","","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113524","17.2149","0.0005","10.517","0.0003","9.3391","0.0003","90","","90","","90","","1690.84","0.09","134","2","134","2","","","","","","","synthetic","5","P n m a","-P 2ac 2n","62","","","","- C12 H6 K3 N10 Re -","- C10 H3 K3 N9 Re -","- C40 H12 K12 N36 Re4 -","4","0.5","","Miriam V. Bennett; Jeffrey R. Long","New Cyanometalate Building Units: Synthesis and Characterization of [Re(CN)7]3- and [Re(CN)8]3-","Journal of the American Chemical Society","2003","125","","2394","2395","10.1021/ja029795v","","","0.71073","MoKα","","0.0221","0.0194","","0.044","0.0438","","","","1.005","1.068","1.068","","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113525","5.6168","0.0011","16.076","0.003","17.651","0.004","64.339","0.003","81.984","0.003","86.122","0.004","1422.5","0.5","153.2","","153.2","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 O P2 S -","- C34 H32 O P2 S -","- C68 H64 O2 P4 S2 -","2","1","","Adam H. Eisenberg; Maxim V. Ovchinnikov; Chad A. Mirkin","Stepwise Formation of Heterobimetallic Macrocycles Synthesized via the Weak-Link Approach","Journal of the American Chemical Society","2003","125","","2836","2837","10.1021/ja027936n","","","0.7107","MoKα","","0.1424","0.064","","0.14","","0.059","","","1.66","","","2.24","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113526","10.7188","0.0003","13.7619","0.0005","14.0021","0.0005","69.641","0.001","89.732","0.001","73.989","0.001","1851.75","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H37 I3 N11 Tm -","- C22 H37 I3 N11 Tm -","- C44 H74 I6 N22 Tm2 -","2","1","","Mikhail N. Bochkarev; Georgii V. Khoroshenkov; Herbert Schumann; Sebastian Dechert","A Novel Bis(imino)amine Ligand as a Result of Acetonitrile Coupling with the Diiodides of Dy(II) and Tm(II)","Journal of the American Chemical Society","2003","125","","2894","2895","10.1021/ja028311s","","","0.71073","MoKα","","0.0832","0.0499","","","0.0961","0.1061","","","","","","1.016","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113527","20.3218","0.0003","13.8313","0.0001","15.4992","0.0001","90","","90","","90","","4356.47","0.08","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H43 Dy I3 N13 -","- C26 H46 Dy I3 N13 -","- C104 H184 Dy4 I12 N52 -","4","0.5","","Mikhail N. Bochkarev; Georgii V. Khoroshenkov; Herbert Schumann; Sebastian Dechert","A Novel Bis(imino)amine Ligand as a Result of Acetonitrile Coupling with the Diiodides of Dy(II) and Tm(II)","Journal of the American Chemical Society","2003","125","","2894","2895","10.1021/ja028311s","","","0.71073","MoKα","","0.0594","0.0419","","","0.0916","0.0995","","","","","","1.052","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113528","8.651","0.002","13.05","0.003","17.393","0.004","90","","106.009","0.004","90","","1887.4","0.8","150.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 O2 Si W -","- C18 H28 O2 Si W -","- C72 H112 O8 Si4 W4 -","4","1","","Hiroyuki Sakaba; Sanae Watanabe; Chizuko Kabuto; Kuninobu Kabuto","Novel η3-1-Silaallyl Tungsten Complexes via Si-H Bond Activation of Hydrovinylsilanes: Structure and Reactivity toward Methanol","Journal of the American Chemical Society","2003","125","","2842","2843","10.1021/ja028432s","","","0.7107","MoKα","","0.0295","0.0209","","","0.0517","0.0558","","","","","","0.928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113529","15.805","0.003","8.606","0.002","15.728","0.003","90","","102.802","0.003","90","","2086.1","0.7","150.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 O3 Si W -","- C19 H32 O3 Si W -","- C76 H128 O12 Si4 W4 -","4","1","","Hiroyuki Sakaba; Sanae Watanabe; Chizuko Kabuto; Kuninobu Kabuto","Novel η3-1-Silaallyl Tungsten Complexes via Si-H Bond Activation of Hydrovinylsilanes: Structure and Reactivity toward Methanol","Journal of the American Chemical Society","2003","125","","2842","2843","10.1021/ja028432s","","","0.7107","MoKα","","0.0353","0.0273","","","0.0609","0.0642","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113530","27.396","0.001","27.3958","0.0008","10.7569","0.0008","90","0.0003","90","0.0003","120","0.0003","6991.8","0.6","123.2","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C66 H90 N18 O48 Pr4 -","- C66 H90 N30 O84 Pr4 -","- C198 H270 N90 O252 Pr12 -","3","0.333333","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","14.1151","","","","0.0816","","","","","","1.25","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113531","9.7629","0.0009","17.059","0.001","9.753","0.0009","90","","101.909","0.003","90","","1589.4","0.2","293.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 Gd N5 O13 -","- C22 H30 Gd N5 O13 -","- C44 H60 Gd2 N10 O26 -","2","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0712","","","","0.2063","","","","","","1.011","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113532","11.951","0.001","15.125","0.001","16.774","0.001","90","","90","","90","","3032","0.4","296.2","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H36 N5 O14 Y -","- C46 H58 N7 O27 Y -","- C184 H232 N28 O108 Y4 -","4","0.5","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0355","","","","0.0689","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113533","33.465","0.001","11.6756","0.0004","12.9318","0.0007","90","","90","","90","","5052.8","0.4","103.2","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H51 N9 O27 Pr2 -","- C48 H34 N14 O42 Pr2 -","- C192 H136 N56 O168 Pr8 -","4","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.051","","","","0.0912","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113534","26.87","0.001","26.8699","0.0008","11.6699","0.0008","90","0.0003","90","0.0003","120","0.0003","7296.8","0.6","296.2","","","","","","","","","","","6","R 3 :H","R 3","146","","","","- C22.67 H28 Br2 N6 O16.33 Pr1.33 -","- C22.6667 Br2 N10 O28.99 Pr1.33333 -","- C204 Br18 N90 O260.91 Pr12 -","9","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0371","","","","0.1111","","","","","","1.325","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113535","9.816","0.003","12.585","0.002","13.562","0.004","81.31","0.02","79.61","0.03","84.68","0.02","1625.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(C28H22N2S6).(CH2Cl2)1.5","","","- C59 H44 Cl6 N4 S12 -","- C59 H44 Cl6 N4 S12 -","- C59 H44 Cl6 N4 S12 -","1","0.5","","Michel Guerro; Roger Carlier; Kamal Boubekeur; Dominique Lorcy; Philippe Hapiot","Cyclic Vinylogous TTF: a Potential Molecular Clip Triggered by Electron Transfer","Journal of the American Chemical Society","2003","125","","3159","3167","10.1021/ja0289090","","","0.71073","MoKα","","0.1645","0.0564","","","0.1405","0.1741","","","","","","0.979","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113536","12.8332","0.001","10.1122","0.0011","24.0994","0.0018","90","","100.699","0.009","90","","3073.1","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(C28H22N2S6).(MeCN)","","","- C30 H25 N3 S6 -","- C30 H25 N3 S6 -","- C120 H100 N12 S24 -","4","1","","Michel Guerro; Roger Carlier; Kamal Boubekeur; Dominique Lorcy; Philippe Hapiot","Cyclic Vinylogous TTF: a Potential Molecular Clip Triggered by Electron Transfer","Journal of the American Chemical Society","2003","125","","3159","3167","10.1021/ja0289090","","","0.71073","MoKα","","0.046","0.0379","","","0.1065","0.1108","","","","","","1.045","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113537","11.3213","0.001","12.8455","0.0009","20.754","0.002","90","","90.79","0.008","90","","3017.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(C27H20N2S6).(CH2CL2)0.5","","","- C55 H42 Cl2 N4 S12 -","- C55 H42 Cl2 N4 S12 -","- C110 H84 Cl4 N8 S24 -","2","0.5","","Michel Guerro; Roger Carlier; Kamal Boubekeur; Dominique Lorcy; Philippe Hapiot","Cyclic Vinylogous TTF: a Potential Molecular Clip Triggered by Electron Transfer","Journal of the American Chemical Society","2003","125","","3159","3167","10.1021/ja0289090","","","0.71073","MoKα","","0.0951","0.0719","","","0.2029","0.2188","","","","","","0.923","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113538","7.9934","0.0016","13.652","0.003","18.487","0.004","90","","94.27","0.03","90","","2011.8","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","(C28 H28 O2 S6) (I3)2","","","- C28 H28 I6 O2 S6 -","- C28 H28 I6 O2 S6 -","- C56 H56 I12 O4 S12 -","2","0.5","","Michel Guerro; Roger Carlier; Kamal Boubekeur; Dominique Lorcy; Philippe Hapiot","Cyclic Vinylogous TTF: a Potential Molecular Clip Triggered by Electron Transfer","Journal of the American Chemical Society","2003","125","","3159","3167","10.1021/ja0289090","","","0.71073","MoKα","","0.0971","0.0366","","","0.0803","0.0969","","","","","","0.889","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113539","22.101","0.007","10.218","0.003","14.283","0.005","90","","91.276","0.006","90","","3224.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 La2 O15 -","- C30 H24 La2 O15 -","- C120 H96 La8 O60 -","4","1","","Long Pan; Kristie M. Adams; Hayden E. Hernandez; Xiaotai Wang; Chong Zheng; Yoshiyuki Hattori; Katsumi Kaneko","Porous Lanthanide-Organic Frameworks: Synthesis, Characterization, and Unprecedented Gas Adsorption Properties","Journal of the American Chemical Society","2003","125","","3062","3067","10.1021/ja028996w","","","0.71073","MoKα","","0.0571","0.053","","","0.1278","0.1304","","","","","","1.17","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113540","21.62","0.0002","9.9719","0.0001","14.0453","0.0001","90","","91.584","0.001","90","","3026.9","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Er2(C10H8O4)3 3H2O","","- C30 H30 Er2 O15 -","- C30 H24 Er2 O15 -","- C120 H96 Er8 O60 -","4","1","","Long Pan; Kristie M. Adams; Hayden E. Hernandez; Xiaotai Wang; Chong Zheng; Yoshiyuki Hattori; Katsumi Kaneko","Porous Lanthanide-Organic Frameworks: Synthesis, Characterization, and Unprecedented Gas Adsorption Properties","Journal of the American Chemical Society","2003","125","","3062","3067","10.1021/ja028996w","","","0.71073","MoKα","","0.0797","0.0643","","","0.101","0.1052","","","","","","1.378","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113541","6.2833","0.0005","9.722","0.001","17.974","0.002","90","","90","","90","","1097.96","0.19","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C48 H48 O12 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","1.5418","CuKα","","","0.028","","","","0.082","","","","","","1.085","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113542","7.1956","0.0004","9.8812","0.0006","10.0669","0.0005","90","","107.374","0.002","90","","683.11","0.07","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 S -","- C15 H18 O3 S -","- C30 H36 O6 S2 -","2","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.032","","","","0.094","","","","","","1.491","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113543","27.53","0.003","12.791","0.001","7.2049","0.0006","90","","95.019","0.002","90","","2527.4","0.4","93.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H31 Br N O4 S -","- C26 H31 Br N O4 S -","- C104 H124 Br4 N4 O16 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.041","","","","0.085","","","","","","1.219","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113544","5.9304","0.0003","16.493","0.001","14.995","0.001","90","","89.053","0.003","90","","1466.46","0.15","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 Br O3 S -","- C15 H17 Br O3 S -","- C60 H68 Br4 O12 S4 -","4","2","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.044","","","","0.099","","","","","","1.307","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113545","8.4018","0.0002","12.7916","0.0003","14.8966","0.0003","90","","90","","90","","1600.97","0.06","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C68 H88 O12 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.023","","","","0.063","","","","","","1.029","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113546","7.869","0.002","15.702","0.003","18.622","0.003","90","","90","","90","","2300.9","0.8","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O9 S -","- C23 H22 N2 O9 S -","- C92 H88 N8 O36 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.034","","","","0.073","","","","","","1.105","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113547","9.823","0.001","11.023","0.002","12.542","0.002","90","","90","","90","","1358","0.4","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.026","","","","0.062","","","","","","1.008","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113548","8.022","0.003","8.91","0.004","13.138","0.005","80.19","0.04","79.47","0.03","69.01","0.03","856.3","0.6","296.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C19 H22 O3 S -","- C19 H22 O3 S -","- C38 H44 O6 S2 -","2","2","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.044","","","","0.125","","","","","","1.349","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113549","8.4622","0.0007","8.0474","0.0006","11.547","0.001","90","","110.062","0.003","90","","738.62","0.11","123.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C34 H36 O6 S2 -","2","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.0346","","","","0.0866","","","","","","1.198","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113550","8.3482","0.0005","8.675","0.0005","40.331","0.002","90","","90","","90","","2920.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 N O5 -","- C31 H45 N O5 -","- C124 H180 N4 O20 -","4","1","","Chutian Shu; Lanny S. Liebeskind","Enantiocontrolled Synthesis of 2,6-Disubstituted Piperidines by Desymmetrization of meso-η-(3,4,5)-Dihydropyridinylmolybdenum Complexes. Application to the Total Synthesis of (-)-Dihydropinidine and (-)-Andrachcinidine","Journal of the American Chemical Society","2003","125","","2878","2879","10.1021/ja029537y","","","0.71073","MoKα","","0.0535","0.0487","","","0.1176","0.1202","","","","","","1.112","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113551","8.483","0.001","12.444","0.002","51.98","0.01","90","","90","","90","","5487.1","1.5","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 S6 -","- C30 H20 N2 S6 -","- C240 H160 N16 S48 -","8","1","","Bruno Jousselme; Philippe Blanchard; Nuria Gallego-Planas; Jacques Delaunay; Magali Allain; Pascal Richomme; Eric Levillain; Jean Roncali","Photomechanical Actuation and Manipulation of the Electronic Properties of Linear π-Conjugated Systems","Journal of the American Chemical Society","2003","125","","2888","2889","10.1021/ja029754z","","","0.71073","Mo-Kα","","0.173","0.045","","0.18","","0.065","","","3.076","","","1.213","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113552","29.7502","0.0004","24.2689","0.0007","20.0769","0.0007","90","0","90","0","90","0","14495.6","0.7","298","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C133 H32 Cl2 N2 -","- C132.5 H32 Cl2 N2 -","- C1060 H256 Cl16 N16 -","8","0.5","","Eiichi Nakamura; Kazukuni Tahara; Yutaka Matsuo; Masaya Sawamura","Synthesis, Structure, and Aromaticity of a Hoop-Shaped Cyclic Benzenoid [10]Cyclophenacene","Journal of the American Chemical Society","2003","125","","2834","2835","10.1021/ja029915z","","","0.71073","xray","","","0.033","","","0.036","","","","","3.112","3.112","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113553","19.745","0.0015","16.541","0.002","20.034","0.003","90","","91.675","0.006","90","","6540.3","1.4","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","C60Me5Ph5O3(OH)2","","- C104 H46 Cl1.5 O4 -","- C104 H46 Cl1.5 O4 -","- C416 H184 Cl6 O16 -","4","1","","Eiichi Nakamura; Kazukuni Tahara; Yutaka Matsuo; Masaya Sawamura","Synthesis, Structure, and Aromaticity of a Hoop-Shaped Cyclic Benzenoid [10]Cyclophenacene","Journal of the American Chemical Society","2003","125","","2834","2835","10.1021/ja029915z","","x-ray","0.71073","MoKα","","0.2426","0.1447","","","0.3653","0.4266","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113554","27.433","0.003","27.439","0.005","10.784","0.004","90","","90","","120","","7030","3","123.2","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C22 H30 Ce1.33 N6 O16 -","- C22 H30 Ce1.33333 N10 O28 -","- C198 H270 Ce12 N90 O252 -","9","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0386","","","","0.169","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113555","14.4358","0.0001","16.471","0.0001","17.1521","0.0001","105.037","0.001","102.066","0.001","95.026","0.001","3807.94","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H56 O4 Si2 -","- C39 H56 O4 Si2 -","- C156 H224 O16 Si8 -","4","2","","Hui Cao; Judith Flippen-Anderson; James M. Cook","The Synthesis of a Dicyclopenta[a,e]pentalene via a Molybdenum Hexacarbonyl-Mediated Tandem Allenic Pauson-Khand Reaction1","Journal of the American Chemical Society","2003","125","","3230","3231","10.1021/ja021159+","","","1.54178","CuKα","","0.0735","0.0657","","","0.1948","0.2078","","","","","","0.892","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113556","14.8936","0.0001","19.1116","0.0001","16.228","0.0001","90","","111.94","","90","","4284.61","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 O5 Si2 -","- C41.99 H56 O5 Si2 -","- C167.96 H224 O20 Si8 -","4","1","","Hui Cao; Judith Flippen-Anderson; James M. Cook","The Synthesis of a Dicyclopenta[a,e]pentalene via a Molybdenum Hexacarbonyl-Mediated Tandem Allenic Pauson-Khand Reaction1","Journal of the American Chemical Society","2003","125","","3230","3231","10.1021/ja021159+","","","0.71073","MoKα","","0.0647","0.0628","","","0.1884","0.1911","","","","","","1.086","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113557","40.376","0.004","27.904","0.002","31.186","0.002","90","","90","","90","","35136","5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- Fe3 K9 Na0 O94.5 P2 W18 -","- Fe3 K9 O94.5 P2 W18 -","- Fe48 K144 O1512 P32 W288 -","16","1","","Nelya M. Okun; Travis M. Anderson; Craig L. Hill","[(FeIII(OH2)2)3(A-α-PW9O34)2]9- on Cationic Silica Nanoparticles, a New Type of Material and Efficient Heterogeneous Catalyst for Aerobic Oxidations","Journal of the American Chemical Society","2003","125","","3194","3195","10.1021/ja0267223","","","0.71073","MoKα","","0.0436","0.0419","","","0.0916","0.0924","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113558","9.412","0.0006","19.545","0.0012","12.876","0.0007","90","","105.84","0.004","90","","2278.7","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Biphenyl-4-yl(2,6-dimethylphenoxy)(1-phenylethyl)silane","","- C28 H28 O Si -","- C28 H28 O Si -","- C112 H112 O4 Si4 -","4","1","","Takanobu Sanji; Hideyuki Fujiyama; Kaname Yoshida; Hideki Sakurai","Diastereoselective Addition of Alcohol to Diastereotopic Silylenes","Journal of the American Chemical Society","2003","125","","3216","3217","10.1021/ja028754w","","","0.7107","MoKα","","0.0845","0.06","","","0.1506","0.167","","","","","","1.023","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113559","7.7744","0.0008","7.9193","0.0008","19.834","0.002","87.189","0.012","83.534","0.012","61.602","0.011","1067.3","0.2","293","","","","","","","","","","","6","P -1","-P 1","2","(EDT-TTF-I2)2(Pb2/3Ag1/3I2)3","","","- C8 H4 Ag0.178 I5 Pb0.797 S6 -","- C8 Ag0.26 I5 Pb1.198 S6 -","- C16 Ag0.52 I10 Pb2.396 S12 -","2","1","","Thomas Devic; Michel Evain; Yves Moëlo; Enric Canadell; Pascale Auban-Senzier; Marc Fourmigué; Patrick Batail","Single Crystalline Commensurate Metallic Assemblages of π-slabs and CdI2-Type Layers: Synthesis and Properties of β-(EDT-TTF-I2)2[Pb5/61/6I2]3 and β-(EDT-TTF-I2)2[Pb2/3+xAg1/3-2xxI2]3, x= 0.05","Journal of the American Chemical Society","2003","125","","3295","3301","10.1021/ja0290431","","","0.71069","MoKα","","0.2059","0.0508","","","0.0997","0.1177","","","","1.7","1.7","1.25","","","","has coordinates,has Fobs","178906","2020-10-21","18:00:00",""
"4113560","7.7818","0.0008","7.976","0.0008","19.9668","0.0002","82.409","0.012","85.964","0.012","61.621","0.011","1080.76","0.19","293","","","","","","","","","","","5","P -1","-P 1","2","(EDT-TTF-I2)2(Pb5/6I2)3","","","- C8 H4 I5 Pb1.25 S6 -","- C8 H4 I5 Pb1.325 S6 -","- C16 H8 I10 Pb2.65 S12 -","2","1","","Thomas Devic; Michel Evain; Yves Moëlo; Enric Canadell; Pascale Auban-Senzier; Marc Fourmigué; Patrick Batail","Single Crystalline Commensurate Metallic Assemblages of π-slabs and CdI2-Type Layers: Synthesis and Properties of β-(EDT-TTF-I2)2[Pb5/61/6I2]3 and β-(EDT-TTF-I2)2[Pb2/3+xAg1/3-2xxI2]3, x= 0.05","Journal of the American Chemical Society","2003","125","","3295","3301","10.1021/ja0290431","","","0.71069","MoKα","","0.0814","0.0459","","","0.0947","0.0996","","","","1.55","1.55","1.26","","","","has coordinates,has Fobs","178906","2020-10-21","18:00:00",""
"4113561","10.424","0.003","21.503","0.006","19.484","0.005","90","","94.67","0.01","90","","4353","2","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ru(Cp*)(PEt3)2(h2-CHCH)][BPh4]","(penta-hapto-pentamethylcyclopentadienyl)-bis(triethylphosphino)- (di-hapto-alkyne)-ruthenium tetraphenylborate","","- C48 H67 B P2 Ru -","- C48 H67 B P2 Ru -","- C192 H268 B4 P8 Ru4 -","4","1","","Emilio Bustelo; Jorge J. Carbó; Agustí Lledós; Kurt Mereiter; M. Carmen Puerta; Pedro Valerga","First X-ray Characterization and Theoretical Study of π-Alkyne, Alkynyl-Hydride, and Vinylidene Isomers for the Same Transition Metal Fragment [Cp*Ru(PEt3)2]+","Journal of the American Chemical Society","2003","125","","3311","3321","10.1021/ja0291181","","","0.71073","MoKα","","0.0635","0.0477","","","0.1211","0.1325","","","","","","1.07","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113562","13.604","0.002","16.518","0.003","19.219","0.003","90","","90","","90","","4318.7","1.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Ru(Cp*)(PEt3)2(H)(kappa1-CCH)]BPh4","(penta-hapto-pentamethylcyclopentadienyl)-bis(triethylphosphino)- alkynyl-hydride-ruthenium tetraphenylborate","","- C48 H67 B P2 Ru -","- C48 H67 B P2.087 Ru1.053 -","- C192 H268 B4 P8.348 Ru4.212 -","4","1","","Emilio Bustelo; Jorge J. Carbó; Agustí Lledós; Kurt Mereiter; M. Carmen Puerta; Pedro Valerga","First X-ray Characterization and Theoretical Study of π-Alkyne, Alkynyl-Hydride, and Vinylidene Isomers for the Same Transition Metal Fragment [Cp*Ru(PEt3)2]+","Journal of the American Chemical Society","2003","125","","3311","3321","10.1021/ja0291181","","","0.71073","MoKα","","0.052","0.0432","","","0.1046","0.1115","","","","","","1.091","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113563","13.5677","0.0007","17.2811","0.0008","19.0256","0.0009","90","","90","","90","","4460.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Cp*Ru(PEt3)2(=C=CH2)][BPh4]","(penta-hapto-pentamethylcyclopentadienyl)-bis(triethylphosphino)- (vinylidene)-ruthenium tetraphenylborate","","- C48 H67 B P2 Ru -","- C48 H67 B P2 Ru -","- C192 H268 B4 P8 Ru4 -","4","1","","Emilio Bustelo; Jorge J. Carbó; Agustí Lledós; Kurt Mereiter; M. Carmen Puerta; Pedro Valerga","First X-ray Characterization and Theoretical Study of π-Alkyne, Alkynyl-Hydride, and Vinylidene Isomers for the Same Transition Metal Fragment [Cp*Ru(PEt3)2]+","Journal of the American Chemical Society","2003","125","","3311","3321","10.1021/ja0291181","","","0.71073","MoKα","","0.0678","0.064","","","0.1314","0.1333","","","","","","1.034","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113564","16.367","0.003","16.006","0.005","17.669","0.003","90","","95.129","0.017","90","","4610.2","1.8","293","2","17","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cp*Ru(PEt3)2(CCCOOMe)][BPh4]","(penta-hapto-pentamethylcyclopentadienyl)-bis(triethylphosphino)- (carboxymethyl-vinylidene)-ruthenium tetraphenylborate","","- C50 H69 B O2 P2 Ru -","- C50 H69 B O2 P2 Ru -","- C200 H276 B4 O8 P8 Ru4 -","4","1","","Emilio Bustelo; Jorge J. Carbó; Agustí Lledós; Kurt Mereiter; M. Carmen Puerta; Pedro Valerga","First X-ray Characterization and Theoretical Study of π-Alkyne, Alkynyl-Hydride, and Vinylidene Isomers for the Same Transition Metal Fragment [Cp*Ru(PEt3)2]+","Journal of the American Chemical Society","2003","125","","3311","3321","10.1021/ja0291181","","","0.71069","MoKα","","0.1216","0.0586","","","0.1529","0.1806","","","","","","1.081","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113565","24.237","0.001","9.791","0.001","24.416","0.001","90","","94.729","0.002","90","","5774.3","0.7","366","2","366","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H81 Cl3 O2 P2 Pt S2 -","- C57 H81 Cl3 O2 P2 Pt S2 -","- C228 H324 Cl12 O8 P8 Pt4 S8 -","4","1","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","0.71073","MoKα","","0.0799","0.0586","","","0.0993","0.104","","","","","","1.191","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113566","11.535","0.001","11.367","0.001","17.759","0.001","90","","95.8","0.001","90","","2316.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H68 O2 P2 Pt S2 -","- C44 H68 O2 P2 Pt S2 -","- C88 H136 O4 P4 Pt2 S4 -","2","1","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","0.71073","MoKα","","0.0681","0.0329","","","0.0686","0.0787","","","","","","0.925","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113567","15.518","0.001","8.485","0.001","22.144","0.002","90","","110.189","0.001","90","","2736.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 Cl6 O2 P2 Pt S2 -","- C58 H46 Cl6 O2 P2 Pt S2 -","- C116 H92 Cl12 O4 P4 Pt2 S4 -","2","0.5","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","0.71073","MoKα","","0.0499","0.0291","","","0.0661","0.0711","","","","","","0.994","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113568","10.198","0.002","10.455","0.002","14.959","0.003","85.14","0.01","82.97","0.01","63.31","0.01","1413.5","0.5","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H45 Cl3 O8 P2 Pt S2 -","- C57 H45 Cl3 O8 P2 Pt S2 -","- C57 H45 Cl3 O8 P2 Pt S2 -","1","1","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","1.54178","CuKα","","0.056","0.051","","","0.1283","0.1327","","","","","","1.014","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113569","4.7719","0.0012","12.98","0.003","27.034","0.006","90","","90","","90","","1674.5","0.7","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C68 H96 N8 O12 -","4","1","","Janez Košmrlj; Leland O. Weigel; David A. Evans; C. Wade Downey; Jimmy Wu","Unfunctionalized, α-Epimerizable Nonracemic Ketones and Aldehydes Can Be Accessed by Crystallization-Induced Dynamic Resolution of Imines","Journal of the American Chemical Society","2003","125","","3208","3209","10.1021/ja029715n","","","0.71073","MoKα","","0.1185","0.0902","","","0.1911","0.2093","","","","","","1.069","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113570","13.114","0.004","37.253","0.011","12.614","0.004","90","","107.251","0.005","90","","5885","3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DippH2GeGeDippPMe3.0.5n-hexane","","","- C66 H89 Ge2 P -","- C66 H89 Ge2 P -","- C264 H356 Ge8 P4 -","4","1","","Anne F. Richards; Andrew D. Phillips; Marilyn M. Olmstead; Philip P. Power","Isomeric Forms of Divalent Heavier Group 14 Element Hydrides: Characterization of Ar'(H)GeGe(H)Ar' and Ar'(H)2GeGeAr'.PMe3 (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2)","Journal of the American Chemical Society","2003","125","","3204","3205","10.1021/ja029772g","","","0.71073","MoKα","","0.074","0.0595","","","0.1377","0.1434","","","","","","1.117","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113571","18.3776","0.0017","17.7496","0.0017","13.0929","0.0012","90","","117.432","0.002","90","","3790.6","0.6","90","2","90","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","(Dipp*GeH)~2~^.^4C~4~H~10~O","","","- C76 H116 Ge2 O4 -","- C60 H76 Ge2 -","- C120 H152 Ge4 -","2","0.25","","Anne F. Richards; Andrew D. Phillips; Marilyn M. Olmstead; Philip P. Power","Isomeric Forms of Divalent Heavier Group 14 Element Hydrides: Characterization of Ar'(H)GeGe(H)Ar' and Ar'(H)2GeGeAr'.PMe3 (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2)","Journal of the American Chemical Society","2003","125","","3204","3205","10.1021/ja029772g","","","0.71073","MoKα","","0.0559","0.0495","","","0.1355","0.1398","","","","","","1.076","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113572","17.1078","0.0003","20.5553","0.0004","23.1162","0.0005","90","","90","","90","","8128.9","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H64 P2 Pd Si -","- C44 H63 P2 Pd Si -","- C352 H504 P16 Pd8 Si8 -","8","2","","Robert C. Boyle; Joel T. Mague; Mark J. Fink","The First Stable Mononuclear Silyl Palladium Hydrides","Journal of the American Chemical Society","2003","125","","3228","3229","10.1021/ja029853c","","","0.71073","MoKα","","0.1467","0.0859","","","0.1775","0.2087","","","","","","1.049","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113573","3.9983","0.0003","11.1403","0.0007","12.1514","0.0009","90","","98.977","0.006","90","","534.62","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Br O4 -","- C11 H9 Br O4 -","- C22 H18 Br2 O8 -","2","1","","D. K. Barma; Abhijit Kundu; Hongming Zhang; Charles Mioskowski; J. R. Falck","(Z)-α-Haloacrylates: An Exceptionally Stereoselective Preparation via Cr(II)-Mediated Olefination of Aldehydes with Trihaloacetates","Journal of the American Chemical Society","2003","125","","3218","3219","10.1021/ja029938d","","","0.71073","MoKα","","0.05","0.038","","","0.087","0.091","","","","","","1.02","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113574","3.8998","0.0003","11.1155","0.0007","11.977","0.0009","90","","97.46","0.005","90","","514.79","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl O4 -","- C11 H9 Cl O4 -","- C22 H18 Cl2 O8 -","2","1","","D. K. Barma; Abhijit Kundu; Hongming Zhang; Charles Mioskowski; J. R. Falck","(Z)-α-Haloacrylates: An Exceptionally Stereoselective Preparation via Cr(II)-Mediated Olefination of Aldehydes with Trihaloacetates","Journal of the American Chemical Society","2003","125","","3218","3219","10.1021/ja029938d","","","0.71073","MoKα","","0.039","0.033","","","0.087","0.09","","","","","","1.05","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113575","11.8429","0.0005","11.8526","0.0005","23.3824","0.0005","86.68","0.05","76.24","0.05","79.36","0.05","3132.8","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H84 N6 P2 Si6 Ta2 -","- C56 H80 N6 P2 Si6 Ta2 -","- C112 H160 N12 P4 Si12 Ta4 -","2","1","","Michael D. Fryzuk; Bruce A. MacKay; Brian O. Patrick","Hydrosilylation of a Dinuclear Tantalum Dinitrogen Complex: Cleavage of N2 and Functionalization of Both Nitrogen Atoms","Journal of the American Chemical Society","2003","125","","3234","3235","10.1021/ja034303f","","","0.71073","MoKα","","0.0981","0.0748","","","0.1992","0.2144","","","","","","1.067","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113576","27.6","0.006","17.262","0.004","14.701","0.003","90","","90","","90","","7004","3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H76 N6 P2 Si5 Ta2 -","- C52 H71 N6 P2 Si5 Ta2 -","- C208 H284 N24 P8 Si20 Ta8 -","4","1","","Michael D. Fryzuk; Bruce A. MacKay; Brian O. Patrick","Hydrosilylation of a Dinuclear Tantalum Dinitrogen Complex: Cleavage of N2 and Functionalization of Both Nitrogen Atoms","Journal of the American Chemical Society","2003","125","","3234","3235","10.1021/ja034303f","","","0.71069","MoKα","","0.0806","0.0566","","","0.1353","0.1462","","","","","","0.983","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113577","7.43","0.001","29.662","0.001","9.374","0.001","90","","112.34","0.01","90","","1910.9","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 O8 P2 Pt S2 -","- C32 H44 O8 P2 Pt S2 -","- C64 H88 O16 P4 Pt2 S4 -","2","0.5","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","1.54178","CuKα","","0.0384","0.029","","","0.0737","0.0797","","","","","","1.028","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113578","19.136","0.003","19.136","0.003","25.373","0.005","90","","90","","120","","8046","2","223","2","223","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H74 I4 O11 Sr3 -","- C36 H74 I4 O11 Sr3 -","- C216 H444 I24 O66 Sr18 -","6","0.333333","","Katharina M. Fromm; Estelle D. Gueneau; Gerald Bernardinelli; Helmut Goesmann; J. Weber; M.-J. Mayor-López; P. Boulet; H. Chermette","Understanding the Formation of New Clusters of Alkali and Alkaline Earth Metals: A New Synthetic Approach, Single-Crystal Structures, and Theoretical Calculations","Journal of the American Chemical Society","2003","125","","3593","3604","10.1021/ja0205737","","","0.71073","MoKα","","0.206","0.1631","","","0.4797","0.5294","","","","","","4.533","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113579","15.5078","0.001","15.5078","0.001","10.1836","0.0007","90","","90","","90","","2449.1","0.3","200","2","200","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C32 H68 I Li4 O8 Sr -","- C34 H I Li4 O11 Sr -","- C68 H2 I2 Li8 O22 Sr2 -","2","0.25","","Katharina M. Fromm; Estelle D. Gueneau; Gerald Bernardinelli; Helmut Goesmann; J. Weber; M.-J. Mayor-López; P. Boulet; H. Chermette","Understanding the Formation of New Clusters of Alkali and Alkaline Earth Metals: A New Synthetic Approach, Single-Crystal Structures, and Theoretical Calculations","Journal of the American Chemical Society","2003","125","","3593","3604","10.1021/ja0205737","","","0.71073","MoKα","","0.1008","0.0679","","","0.1884","0.213","","","","","","0.816","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113580","9.291","0.006","10.469","0.007","13.489","0.008","90","","90","","90","","1312","1.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C40 H72 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.0996","0.0614","","","0.1286","0.1421","","","","","","1.022","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113581","8.412","0.002","9.589","0.002","28.063","0.007","90","","90","","90","","2263.6","0.9","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H19 N O4 -","- C10 H19 N O4 -","- C80 H152 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.1039","0.0514","","","0.1006","0.1152","","","","","","1.022","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113582","8.3774","0.0017","9.7376","0.0019","41.525","0.008","90","","90","","90","","3387.4","1.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C128 H248 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.1307","0.0601","","","0.113","0.1299","","","","","","0.933","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113583","5.5253","0.0015","7.169","0.002","10.823","0.003","81.321","0.005","88.518","0.005","76.042","0.005","411.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H19 Cl N2 O12 -","- C10 H19 Cl N2 O12 -","- C10 H19 Cl N2 O12 -","1","0.5","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.1079","0.0676","","","0.1781","0.193","","","","","","0.932","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113584","15.2645","0.0006","22.0533","0.0009","22.2281","0.0009","109.363","0.001","93.65","0.001","96.674","0.001","6969.8","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H74 Cl40 Mn12 O49 P2 -","- C83.7 H59.71 Cl39.9951 Mn12 O47.61 P2 -","- C167.4 H119.42 Cl79.9902 Mn24 O95.22 P4 -","2","1","","Monica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; John C. Huffman; Ernest R. Davidson; David N. Hendrickson; George Christou","Single-Molecule Magnets: Two-Electron Reduced Version of a Mn12 Complex and Environmental Influences on the Magnetization Relaxation of (PPh4)2[Mn12O12(O2CCHCl2)16(H2O)4]","Journal of the American Chemical Society","2003","125","","3576","3588","10.1021/ja021066s","","","0.71073","MoKα","","0.058","0.0449","","","0.1109","0.1215","","","","","","1.007","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113585","15.373","0.008","22.127","0.011","22.273","0.012","108.768","0.012","93.808","0.011","97.151","0.012","7072","6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H74 Cl40 Mn12 O49 P2 -","- C82.5 H46 Cl39.3 Mn12 O48.5 P2 -","- C165 H92 Cl78.6 Mn24 O97 P4 -","2","1","","Monica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; John C. Huffman; Ernest R. Davidson; David N. Hendrickson; George Christou","Single-Molecule Magnets: Two-Electron Reduced Version of a Mn12 Complex and Environmental Influences on the Magnetization Relaxation of (PPh4)2[Mn12O12(O2CCHCl2)16(H2O)4]","Journal of the American Chemical Society","2003","125","","3576","3588","10.1021/ja021066s","","","0.71073","MoKα","","","0.0673","","","","0.0669","","","","","","1.3134","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113586","18.713","0.002","14.8714","0.0008","27.042","0.002","90","","97.767","0.002","90","","7456.4","1","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C86 H76 Cl44 Mn12 O48 P2 -","- C85 H70 Cl41 Mn12 O48 P2 -","- C170 H140 Cl82 Mn24 O96 P4 -","2","0.5","","Monica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; John C. Huffman; Ernest R. Davidson; David N. Hendrickson; George Christou","Single-Molecule Magnets: Two-Electron Reduced Version of a Mn12 Complex and Environmental Influences on the Magnetization Relaxation of (PPh4)2[Mn12O12(O2CCHCl2)16(H2O)4]","Journal of the American Chemical Society","2003","125","","3576","3588","10.1021/ja021066s","","","0.71073","MoKα","","0.1364","0.0623","","","0.1614","0.1804","","","","","","0.992","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113587","11.419","0.002","16.813","0.003","21.128","0.004","90","","101.13","0.03","90","","3980","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 F K O6 Si6 -","- C24 H60 F K O6 Si6 -","- C96 H240 F4 K4 O24 Si24 -","4","1","","Roland Fischer; Judith Baumgartner; Guido Kickelbick; Christoph Marschner","The First Stable β-Fluorosilylanion","Journal of the American Chemical Society","2003","125","","3414","3415","10.1021/ja0291639","","","0.71073","MoKα","","0.1052","0.0588","","","0.1254","0.144","","","","","","1.028","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113588","16.624","0.003","10.239","0.002","18.645","0.004","90","","90","","90","","3173.6","1.1","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C26 H46 Si6 -","- C26 H46 Si6 -","- C104 H184 Si24 -","4","1","","Roland Fischer; Judith Baumgartner; Guido Kickelbick; Christoph Marschner","The First Stable β-Fluorosilylanion","Journal of the American Chemical Society","2003","125","","3414","3415","10.1021/ja0291639","","","0.71073","MoKα","","0.0588","0.0532","","","0.1168","0.1212","","","","","","1.037","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113589","46.711","0.002","18.829","0.002","30.085","0.002","90","","96.79","0.02","90","","26275","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C119.6 H134.7 Cl1.1 N16 O26.6 -","- C119.6 H114 Cl1.1 N16 O26.6 -","- C956.8 H912 Cl8.8 N128 O212.8 -","8","1","","Hua Jiang; Jean-Michel Léger; Ivan Huc","Aromatic δ-Peptides","Journal of the American Chemical Society","2003","125","","3448","3449","10.1021/ja029887k","","","0.71073","MoKα","","0.241","0.1373","","0.513","0.3791","","","","0.997","1.111","1.111","","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113590","23.5863","0.0017","15.7557","0.0011","10.2636","0.0007","90","","91.551","0.001","90","","3812.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 Cl3 N5 O4 Pt -","- C33 H48 Cl3 N5 O4 Pt -","- C132 H192 Cl12 N20 O16 Pt4 -","4","1","","Hershel Jude; Jeanette A. Krause Bauer; William B. Connick","An Outer-Sphere Two-Electron Platinum Reagent","Journal of the American Chemical Society","2003","125","","3446","3447","10.1021/ja034003y","","","0.71073","MoKα","","0.0644","0.0527","","","0.1405","0.146","","","","","","1.125","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113591","11.095","0.002","7.211","0.001","13.267","0.002","90","","101.47","0.01","90","","1040.2","0.3","293","2","293","2","","","","","","","see paper","5","P 1 21 1","P 2yb","4","","(E)-(2R,3R,4S)-1-((R)-10,10-Dimethyl-3,3-dioxo-3-thia-4-aza- tricyclo[5.2.1]dec-4-yl)-3-hydroxy-2,4-dimethyl-oct-6-en-1-one","","- C20 H33 N O4 S -","- C20 H33 N O4 S -","- C40 H66 N2 O8 S2 -","2","1","","Richard Sedrani; Jörg Kallen; Luisa M. Martin Cabrejas; Charles D. Papageorgiou; Francesco Senia; Stefan Rohrbach; Dieter Wagner; Binh Thai; Anne-Marie Jutzi Eme; Julien France; Lukas Oberer; Grety Rihs; Gerhard Zenke; Jürgen Wagner","Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure, and Binding Data","Journal of the American Chemical Society","2003","125","","3849","3859","10.1021/ja021327y","","","1.54178","CuKα","","0.098","0.0796","","","0.1974","0.2221","","","","","","1.113","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113592","15.4332","0.0008","15.4332","0.0008","44.421","0.005","90","","90","","120","","9162.9","1.2","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C51 H75 B2 Fe3 Mo N6 P3 S4 -","- C51.02 H74.02 B2 Fe3 Mo N6 P3 S4 -","- C306.12 H444.12 B12 Fe18 Mo6 N36 P18 S24 -","6","0.333333","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0796","0.0657","","","0.19","0.206","","","","","","1.094","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113593","9.3437","0.0009","34.761","0.003","12.0052","0.0011","90","","91.266","0.002","90","","3898.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H106 B2 Fe6 Mo2 N16 S14 -","- C50 H106 B2 Fe6 Mo2 N16 S14 -","- C100 H212 B4 Fe12 Mo4 N32 S28 -","2","0.5","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0673","0.0334","","","0.0667","0.087","","","","","","0.873","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113594","11.2863","0.0009","25.2819","0.0018","12.832","0.0009","90","","112.743","0.001","90","","3376.8","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H80 B2 Fe6 Mo2 N12 P4 S8 -","- C42 H80 B2 Fe6 Mo2 N12 P4 S8 -","- C84 H160 B4 Fe12 Mo4 N24 P8 S16 -","2","0.5","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0752","0.0496","","","0.1223","0.1403","","","","","","1.063","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113595","14.5127","0.0014","14.1623","0.0013","19.4281","0.0018","90","","94.503","0.002","90","","3980.8","0.6","293","2","213","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H106 B2 Cl4 Fe6 Mo2 N18 S8 -","- C54 H106 B2 Cl4 Fe6 Mo2 N18 S8 -","- C108 H212 B4 Cl8 Fe12 Mo4 N36 S16 -","2","0.5","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0808","0.0635","","","0.1242","0.1311","","","","","","1.096","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113596","18.155","0.005","16.731","0.004","18.149","0.005","90","","90","","90","","5513","3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C46 H71 B Fe3 Mo N8 S7 -","- C46 H71 B Fe3 Mo N8 S7 -","- C184 H284 B4 Fe12 Mo4 N32 S28 -","4","1","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0644","0.0497","","","0.0957","0.0998","","","","","","0.937","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113597","18.3853","0.0011","17.5344","0.001","29.4244","0.0016","90","","96.619","0.001","90","","9422.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H109 B2 Fe6 Mo2 N24 S11 -","- C60 H109 B2 Fe6 Mo2 N24 S11 -","- C240 H436 B8 Fe24 Mo8 N96 S44 -","4","1","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0933","0.0661","","","0.1512","0.1659","","","","","","1.14","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113598","34.136","0.008","11.871","0.003","31.277","0.007","90","","116.927","0.004","90","","11300","5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H142 B2 Fe6 Mo2 N16 S14 -","- C91.5 H131.5 B2 Fe6 Mo2 N16 S14 -","- C366 H526 B8 Fe24 Mo8 N64 S56 -","4","1","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.1599","0.1258","","","0.28","0.2954","","","","","","1.207","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113599","36.883","0.01","26.168","0.006","16.194","0.006","90","","90","","90","","15630","8","293","2","293","2","","","","","","","","8","A b a 2","A 2 -2ab","41","","","","- C46 H82 B2 Fe6 Mo2 N18.5 S7 Se3 -","- C46 H80.5 B2 Fe6 Mo2 N18.5 S7 Se3 -","- C368 H644 B16 Fe48 Mo16 N148 S56 Se24 -","8","","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.127","0.0501","","","0.1007","0.1145","","","","","","0.791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113600","12.027","0.001","8.872","0.001","16.347","0.002","88.582","0.006","85.189","0.008","70.862","0.007","1642.1","0.3","293","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C40 H32 Br2.6 Cl1.2 I2.2 S32 -","2","1","","Elena Laukhina; José Vidal-Gancedo; Vladimir Laukhin; Jaume Veciana; Igor Chuev; Vladislava Tkacheva; Klaus Wurst; Concepció Rovira","Multistability in a BEDT-TTF Based Molecular Conductor","Journal of the American Chemical Society","2003","125","","3948","3953","10.1021/ja0280123","","","0.71073","MoKα","","0.0724","0.0485","","0.156","0.128","","","","1.118","1.219","1.219","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113601","17.251","0.003","9.02","0.002","16.353","0.003","87.967","0.008","84.28","0.01","81.38","0.01","2502.8","0.8","383","2","386","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C60 H48 Br3.9 Cl1.8 I3.3 S48 -","3","1.5","","Elena Laukhina; José Vidal-Gancedo; Vladimir Laukhin; Jaume Veciana; Igor Chuev; Vladislava Tkacheva; Klaus Wurst; Concepció Rovira","Multistability in a BEDT-TTF Based Molecular Conductor","Journal of the American Chemical Society","2003","125","","3948","3953","10.1021/ja0280123","","","0.71073","MoKα","","0.1115","0.0583","","0.1779","0.1394","","","","1.019","1.166","1.166","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113602","5.918","0.001","9.136","0.002","16.282","0.003","92.07","0.01","96.48","0.01","105.3","0.01","841.7","0.3","396","2","398","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","- C20 H16 Br1.3 Cl0.6 I1.1 S16 -","1","0.5","","Elena Laukhina; José Vidal-Gancedo; Vladimir Laukhin; Jaume Veciana; Igor Chuev; Vladislava Tkacheva; Klaus Wurst; Concepció Rovira","Multistability in a BEDT-TTF Based Molecular Conductor","Journal of the American Chemical Society","2003","125","","3948","3953","10.1021/ja0280123","","","0.71073","MoKα","","0.0614","0.0468","","0.1309","0.1215","","","","1.057","1.115","1.115","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113603","36.88","0.02","10.837","0.007","29.681","0.018","90","","120.078","0.011","90","","10265","11","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-[5-(4-Diethylamino-phenyl)-1-pentafluorophenyl-4,5-dihydro- 1H-pyrazol-3-yl]-benzoic acid ethyl ester","","- C28 H26 F5 N3 O2 -","- C28 H26 F5 N3 O2 -","- C448 H416 F80 N48 O32 -","16","2","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.2395","0.0768","","","0.1665","0.2464","","","","","","0.931","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113604","14.108","0.003","15.876","0.004","9.978","0.002","90","","103.033","0.006","90","","2177.3","0.8","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[5-(4-Diethylamino-phenyl)-1-phenyl-4, 5-dihydro-1H- pyrazol-3-yl]-benzonitrile","","- C26 H26 N4 -","- C26 H26 N4 -","- C104 H104 N16 -","4","1","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.1615","0.0679","","","0.1334","0.172","","","","","","0.985","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113605","11.135","0.002","19.02","0.004","11.43","0.002","90","","118.453","0.004","90","","2128.3","0.7","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[5-(4-Diethylamino-phenyl)-3-phenyl-4,5-dihydro- pyrazol-1-yl]-benzonitrile","","- C26 H26 N4 -","- C26 H26 N4 -","- C104 H104 N16 -","4","1","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.0525","0.0358","","","0.0858","0.0957","","","","","","1.018","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113606","15.0341","0.0008","9.6076","0.0005","17.3514","0.0009","90","","114.67","0.003","90","","2277.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[5-(4-Diethylamino-phenyl)-1-(4-cyano-phenyl)-4,5-dihydro- 1H-pyrazol-3-yl]-benzonitrile","","- C27 H25 N5 -","- C27 H25 N5 -","- C108 H100 N20 -","4","1","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.0619","0.0467","","","0.1123","0.1176","","","","","","0.962","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113607","6.2834","0.0012","12.271","0.002","32.551","0.006","90","","94.776","0.004","90","","2501.1","0.8","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[1-(4-Cyano-phenyl)-5-(4-diethylamino-phenyl)-4,5-dihydro- 1H-pyrazol-3-yl]-benzoic acid ethyl ester","","- C29 H30 N4 O2 -","- C29 H30 N4 O2 -","- C116 H120 N16 O8 -","4","1","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.0677","0.0453","","","0.1021","0.1137","","","","","","1.033","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113608","10.3198","0.0019","18.06","0.003","12.218","0.002","90","","91.23","0.003","90","","2276.6","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[5-(4-Diethylamino-phenyl)-3-(4-methoxy-phenyl)-4,5-dihydro- pyrazol-1-yl]-benzonitrile","","- C27 H28 N4 O -","- C27 H28 N4 O -","- C108 H112 N16 O4 -","4","1","","Christoph J. Fahrni; Liuchun Yang; Donald G. VanDerveer","Tuning the Photoinduced Electron-Transfer Thermodynamics in 1,3,5-Triaryl-2-pyrazoline Fluorophores: X-ray Structures, Photophysical Characterization, Computational Analysis, and in Vivo Evaluation","Journal of the American Chemical Society","2003","125","","3799","3812","10.1021/ja028266o","","","0.71073","MoKα","","0.0691","0.0398","","","0.0877","0.0999","","","","","","1.013","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113609","12.486","0.003","15.669","0.003","27.495","0.006","90","","94.22","0.03","90","","5365","2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 F6 Ir O P2 Sb -","- C62 H52 F6 Ir O P2 Sb -","- C248 H208 F24 Ir4 O4 P8 Sb4 -","4","1","","Xingwei Li; Christopher D. Incarvito; Robert H. Crabtree","A Rare η2-Butadienyl Complex from an Alkyne Double Insertion with Double Vinylidene Rearrangement","Journal of the American Chemical Society","2003","125","","3698","3699","10.1021/ja0297281","","","0.71073","MoKα","","0.0901","0.0403","","","0.0694","0.0823","","","","","","0.945","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113610","14.507","0.003","18.091","0.004","20.457","0.004","90","","90.48","0.03","90","","5368.7","1.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 F6 Ir O P2 Sb -","- C62 H52 F6 Ir O P2 Sb -","- C248 H208 F24 Ir4 O4 P8 Sb4 -","4","1","","Xingwei Li; Christopher D. Incarvito; Robert H. Crabtree","A Rare η2-Butadienyl Complex from an Alkyne Double Insertion with Double Vinylidene Rearrangement","Journal of the American Chemical Society","2003","125","","3698","3699","10.1021/ja0297281","","","0.71073","MoKα","","0.0746","0.0414","","","0.0928","0.1042","","","","","","1.083","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113611","5.7624","0.0009","12.2485","0.0019","22.486","0.004","90","","90","","90","","1587.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 S2 -","- C16 H20 N2 S2 -","- C64 H80 N8 S8 -","4","1","","Narendra B. Ambhaikar; James P. Snyder; Dennis C. Liotta","Diastereoselective Addition of Chlorotitanium Enolate of N-Acyl Thiazolidinethione to O-Methyl Oximes: A Novel, Stereoselective Synthesis of α,β-Disubstituted β-Amino Carbonyl Compounds via Chiral Auxiliary Mediated Azetine Formation","Journal of the American Chemical Society","2003","125","","3690","3691","10.1021/ja029871u","","","0.71073","MoKα","","0.0383","0.0365","","","0.0911","0.0924","","","","","","1.032","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113612","9.9797","0.0002","19.9201","0.0004","21.9977","0.0005","90","","90","","90","","4373.07","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O2 S2 -","- C23 H26 N2 O2 S2 -","- C184 H208 N16 O16 S16 -","8","2","","Narendra B. Ambhaikar; James P. Snyder; Dennis C. Liotta","Diastereoselective Addition of Chlorotitanium Enolate of N-Acyl Thiazolidinethione to O-Methyl Oximes: A Novel, Stereoselective Synthesis of α,β-Disubstituted β-Amino Carbonyl Compounds via Chiral Auxiliary Mediated Azetine Formation","Journal of the American Chemical Society","2003","125","","3690","3691","10.1021/ja029871u","","","1.54178","CuKα","","0.0325","0.0294","","","0.0704","0.0716","","","","","","1.035","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113613","16.7859","0.0001","19.0409","0.0002","22.9624","0.0002","90","","100.215","0.0005","90","","7222.87","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N3 O5 Re -","- C44 H36 N3 O5 Re -","- C352 H288 N24 O40 Re8 -","8","1","","Eva Hevia; Julio Pérez; Víctor Riera; Daniel Miguel; Pablo Campomanes; M. Isabel Menéndez; Tomás L. Sordo; Santiago García-Granda","Synthesis of β-Lactams from a N-Rhenaimine: Effect of the Transition Metal on the Energetic Profile of the Staudinger Reaction","Journal of the American Chemical Society","2003","125","","3706","3707","10.1021/ja034070s","","","1.5418","CuKα","","0.0483","0.0402","","","0.107","0.11","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113614","18.105","0.003","18.621","0.003","20.437","0.003","90","","112.005","0.002","90","","6388.1","1.8","238","2","238","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Hf N O -","- C37 H39 Hf N O -","- C296 H312 Hf8 N8 O8 -","8","2","","Thomas R. Boussie; Gary M. Diamond; Christopher Goh; Keith A. Hall; Anne M. LaPointe; Margarete Leclerc; Cheryl Lund; Vince Murphy; James A. W. Shoemaker; Ursula Tracht; Howard Turner; Jessica Zhang; Tetsuo Uno; Robert K. Rosen; James C. Stevens","A Fully Integrated High-Throughput Screening Methodology for the Discovery of New Polyolefin Catalysts: Discovery of a New Class of High Temperature Single-Site Group (IV) Copolymerization Catalysts","Journal of the American Chemical Society","2003","125","","4306","4317","10.1021/ja020868k","","","0.71073","MoKα","","0.047","0.0287","","","0.065","0.0715","","","","","","1.046","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113615","11.0193","0.0007","11.2042","0.0007","17.2591","0.0012","79.092","0.001","84.314","0.001","66.605","0.001","1919.7","0.2","183","2","183","2","","","","","","","","4","P -1","-P 1","2","Nb(H)(tBu(H)C=NAr)(N[Np]Ar)2","","","- C39 H60 N3 Nb -","- C39 H60 N3 Nb -","- C78 H120 N6 Nb2 -","2","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0418","0.0403","","","0.1076","0.1092","","","","","","1.042","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113616","19.7802","0.0018","12.6057","0.0011","31.987","0.003","90","","99.542","0.002","90","","7865.4","1.2","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Nb(O)(N[Np]Ar)3","","","- C39 H60 N3 Nb O -","- C39 H60 N3 Nb O -","- C312 H480 N24 Nb8 O8 -","8","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.055","0.045","","","0.1396","0.1458","","","","","","1.07","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113617","11.0383","0.0009","10.6757","0.0009","33.434","0.003","90","","90","0.002","90","","3939.9","0.6","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nb(S)(N[Np]Ar)3","","","- C39 H60 N3 Nb S -","- C39 H60 N3 Nb S -","- C156 H240 N12 Nb4 S4 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0641","0.0624","","","0.2329","0.2339","","","","","","1.99","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113618","11.1454","0.0008","10.6072","0.0008","33.26","0.003","90","","90","0.001","90","","3932","0.5","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nb(Se)(N[Np]Ar)3","","","- C39 H60 N3 Nb Se -","- C39 H60 N3 Nb Se -","- C156 H240 N12 Nb4 Se4 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0655","0.0651","","","0.1322","0.1323","","","","","","1.387","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113619","11.4215","0.0005","10.5624","0.0005","33.1624","0.0016","90","","90.044","0.001","90","","4000.7","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Te)Nb(N[Np]Ar)3","","","- C39 H60 N3 Nb Te -","- C39 H60 N3 Nb Te -","- C156 H240 N12 Nb4 Te4 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0553","0.0464","","","0.0907","0.0941","","","","","","1.117","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113620","12.011","0.005","12.111","0.008","29.97","0.012","84.99","0.03","88.69","0.04","61.05","0.05","3799","4","188","2","188","2","","","","","","","","8","P -1","-P 1","2","(Ar[Np]N)3Nb(mu-P)Mo(N[iPr]Ar)3","","","- C75 H117 Mo N6 Nb O0.5 P Si -","- C75 H117 Mo N6 Nb O0.5 P Si -","- C150 H234 Mo2 N12 Nb2 O P2 Si2 -","2","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0501","0.0392","","","0.0951","0.1028","","","","","","1.063","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113621","13.931","0.002","16.519","0.003","34.582","0.005","90","","92.088","0.003","90","","7953","2","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(mu-2:eta-2,eta-2-P2)[Nb(N[Np]Ar)2]2","","","- C78 H120 N6 Nb2 P2 -","- C78 H120 N6 Nb2 P2 -","- C312 H480 N24 Nb8 P8 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.088","0.0523","","","0.0939","0.1162","","","","","","1.208","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113622","10.7225","0.0006","11.9653","0.0007","19.371","0.0011","86.526","0.001","77.212","0.001","72.101","0.001","2306.2","0.2","183","2","293","2","","","","","","","","4","P -1","-P 1","2","Nb(MesCN)(N[Np]Ar)3","","","- C49 H71 N4 Nb -","- C49 H71 N4 Nb -","- C98 H142 N8 Nb2 -","2","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0435","0.0416","","","0.1346","0.1371","","","","","","1.203","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113623","19.9926","0.0016","10.8813","0.0009","22.5023","0.0018","90","","116.247","0.001","90","","4390.6","0.6","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nb(N=C(H)tBu)(tBu(H)c=NAr)(N[Np]Ar)2","","","- C44 H69 N4 Nb -","- C44 H69 N4 Nb -","- C176 H276 N16 Nb4 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity","Journal of the American Chemical Society","2003","125","","4020","4021","10.1021/ja028446y","","","0.71073","MoKα","","0.0622","0.0526","","","0.1487","0.1548","","","","","","1.182","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113624","6.7476","0.0008","12.5932","0.0015","20.305","0.002","90","","90","","90","","1725.4","0.3","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br3 O4 -","- C15 H15 Br3 O4 -","- C60 H60 Br12 O16 -","4","1","","Ara H. Mermerian; Gregory C. Fu","Catalytic Enantioselective Synthesis of Quaternary Stereocenters via Intermolecular C-Acylation of Silyl Ketene Acetals: Dual Activation of the Electrophile and the Nucleophile","Journal of the American Chemical Society","2003","125","","4050","4051","10.1021/ja028554k","","","0.71073","MoKα","","0.0906","0.0878","","","0.2031","0.207","","","","","","1.024","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113625","8.924","0.001","15.025","0.002","15.823","0.002","90","","96.569","0.006","90","","2107.7","0.5","123.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 F6 Ir N2 P -","- C20 H24 F6 Ir N2 P -","- C80 H96 F24 Ir4 N8 P4 -","4","1","","Tsutomu Abura; Seiji Ogo; Yoshihito Watanabe; Shunichi Fukuzumi","Isolation and Crystal Structure of a Water-Soluble Iridium Hydride: A Robust and Highly Active Catalyst for Acid-Catalyzed Transfer Hydrogenations of Carbonyl Compounds in Acidic Media","Journal of the American Chemical Society","2003","125","","4149","4154","10.1021/ja0288237","","","0.7107","MoKα","","","0.03","","","","0.0618","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113626","7.4603","0.0001","18.4567","0.0003","20.7189","0.0005","90","","90","","90","","2852.84","0.09","150","1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Mark Lautens; Wooseok Han; Jack Hung-Chang Liu","MgI2-Mediated Ring Expansions of Secondary Methylenecyclopropyl Amides","Journal of the American Chemical Society","2003","125","","4028","4029","10.1021/ja028967l","","","0.71073","MoKα","","0.0506","0.0376","","","0.0904","0.0983","","","","","","1.016","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113627","15.0245","0.0004","7.59","0.0002","19.2583","0.0005","90","","100.117","0.002","90","","2161.99","0.1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C96 H92 N12 O12 S4 -","4","1","","Mark Lautens; Wooseok Han; Jack Hung-Chang Liu","MgI2-Mediated Ring Expansions of Secondary Methylenecyclopropyl Amides","Journal of the American Chemical Society","2003","125","","4028","4029","10.1021/ja028967l","","","0.71073","MoKα","","0.0451","0.0364","","","0.0887","0.0947","","","","","","1.071","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113628","7.4119","0.0009","14.0747","0.0018","18.681","0.002","90","","90","","90","","1948.8","0.4","293","2","167","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0649","0.0453","","","0.1025","0.1083","","","","","","1.032","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113629","7.4158","0.0018","14.071","0.004","18.697","0.005","90","","90","","90","","1951","0.9","233","2","233","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0672","0.0461","","","0.1104","0.1178","","","","","","1.037","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113630","7.418","0.003","14.07","0.005","18.706","0.007","90","","90","","90","","1952.4","1.3","293","2","269","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0769","0.0513","","","0.1209","0.131","","","","","","1.048","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113631","7.418","0.003","14.068","0.005","18.715","0.007","90","","90","","90","","1953","1.3","300","2","300","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.067","0.0438","","","0.1085","0.116","","","","","","1.014","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113632","7.424","0.006","14.055","0.011","18.75","0.013","90","","90","","90","","1956","3","513","2","513","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.0625","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6893","synchrotron","","0.133","0.089","","","0.2122","0.2495","","","","","","1.087","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113633","7.4105","0.0006","14.0764","0.0011","18.6746","0.0014","90","","90","","90","","1948","0.3","133","2","133","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.068","0.0511","","","0.1107","0.1158","","","","","","1.108","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113634","7.421","0.004","14.066","0.007","18.726","0.009","90","","90","","90","","1954.7","1.7","333","2","333","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0746","0.0469","","","0.117","0.1291","","","","","","0.985","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113635","7.424","0.005","14.065","0.009","18.743","0.009","90","","90","","90","","1957","2","367","2","367","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0894","0.0539","","","0.1378","0.1533","","","","","","0.963","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113636","7.426","0.007","14.066","0.004","18.752","0.007","90","","90","","90","","1959","2","379","2","379","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.1799","0.0882","","","0.1744","0.1977","","","","","","1.19","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113637","7.429","0.006","14.067","0.011","18.765","0.014","90","","90","","90","","1961","3","408","2","408","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.2154","0.0998","","","0.1981","0.2281","","","","","","1.167","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113638","7.428","0.005","14.065","0.008","18.765","0.012","90","","90","","90","","1960","2","436","2","436","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.0625","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.0962","0.075","","","0.1828","0.1945","","","","","","0.967","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113639","7.427","0.004","14.061","0.007","18.76","0.01","90","","90","","90","","1959.1","1.8","468","2","468","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.0625","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.1281","0.1008","","","0.2679","0.2761","","","","","","1.115","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113640","7.425","0.006","14.056","0.012","18.755","0.016","90","","90","","90","","1957","3","497","2","497","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.0625","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.096","0.0763","","","0.2053","0.2172","","","","","","1.096","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113641","7.017","0.002","10.987","0.004","12.948","0.004","93.988","0.007","104.824","0.006","93.071","0.006","960","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N4 O4 -","- C21 H21 N4 O4 -","- C42 H42 N8 O8 -","2","1","","Andrew G. Leach; Renxiao Wang; G. Erich Wohlhieter; Saeed I. Khan; Michael E. Jung; K. N. Houk","Theoretical Elucidation of Kinetic and Thermodynamic Control of Radical Addition Regioselectivity","Journal of the American Chemical Society","2003","125","","4271","4278","10.1021/ja029342q","","","0.71073","MoKα","","0.1839","0.0618","","","0.0951","0.1191","","","","","","0.81","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113642","14.825","0.002","10.574","0.001","24.9363","0.0006","90","","100.624","0.0005","90","","3842","0.6","193.2","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C41 H104 Fe8 N8 S9 Si8 -","- C79 H207 Fe16 N16 S17 Si16 -","- C158 H414 Fe32 N32 S34 Si32 -","2","0.5","","Yasuhiro Ohki; Yusuke Sunada; Masaru Honda; Motomi Katada; Kazuyuki Tatsumi","Synthesis of the P-Cluster Inorganic Core of Nitrogenases","Journal of the American Chemical Society","2003","125","","4052","4053","10.1021/ja029383m","","","0.7107","MoKα","","","0.038","","","","0.0433","","","","","","2.823","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113643","29.963","0.004","16.29","0.01","17.264","0.004","90","","115.82","0.01","90","","7585","5","258.2","","258.2","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cl2 F10 N2 O2 Si2 Ti -","- C32 H26 Cl2 F10 N2 O2 Si2 Ti -","- C256 H208 Cl16 F80 N16 O16 Si16 Ti8 -","8","1","","Makoto Mitani; Rieko Furuyama; Jun-ichi Mohri; Junji Saito; Seiichi Ishii; Hiroshi Terao; Takashi Nakano; Hidetsugu Tanaka; Terunori Fujita","Syndiospecific Living Propylene Polymerization Catalyzed by Titanium Complexes Having Fluorine-Containing Phenoxy-Imine Chelate Ligands","Journal of the American Chemical Society","2003","125","","4293","4305","10.1021/ja029560j","","","0.7107","MoKα","","0.0401","0.0401","","","0.0978","0.0978","","","","","","1.302","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113644","16.45","0.004","24.882","0.005","14.521","0.002","90","","90","","90","","5944","2","298.2","","298.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H12 Cl4 F10 N2 O2 Ti -","- C27 H12 Cl4 F10 N2 O2 Ti -","- C216 H96 Cl32 F80 N16 O16 Ti8 -","8","1","","Makoto Mitani; Rieko Furuyama; Jun-ichi Mohri; Junji Saito; Seiichi Ishii; Hiroshi Terao; Takashi Nakano; Hidetsugu Tanaka; Terunori Fujita","Syndiospecific Living Propylene Polymerization Catalyzed by Titanium Complexes Having Fluorine-Containing Phenoxy-Imine Chelate Ligands","Journal of the American Chemical Society","2003","125","","4293","4305","10.1021/ja029560j","","","0.7107","MoKα","","0.0483","0.0483","","","0.0649","0.0649","","","","","","1.885","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113645","10.3219","0.0017","11.327","0.0018","16.646","0.003","81.853","0.003","80.372","0.003","69.761","0.003","1792.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H41 Cl N Ni O P -","- C43 H41 Cl N Ni O P -","- C86 H82 Cl2 N2 Ni2 O2 P2 -","2","1","","Stephen R. Foley; Robert A. Stockland; Han Shen; Richard F. Jordan","Reaction of Vinyl Chloride with Late Transition Metal Olefin Polymerization Catalysts","Journal of the American Chemical Society","2003","125","","4350","4361","10.1021/ja029823+","","","0.71073","MoKα","","0.0479","0.0393","","","0.0812","0.0849","","","","","","0.979","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113646","14.477","0.004","14.703","0.004","42.596","0.011","90","","99.574","0.005","90","","8940","4","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H116.25 N4 Ni2 O4 -","- C106.998 H104 N4 Ni2 O4 -","- C427.992 H416 N16 Ni8 O16 -","4","1","","Stephen R. Foley; Robert A. Stockland; Han Shen; Richard F. Jordan","Reaction of Vinyl Chloride with Late Transition Metal Olefin Polymerization Catalysts","Journal of the American Chemical Society","2003","125","","4350","4361","10.1021/ja029823+","","","0.71073","MoKα","","0.0877","0.0714","","","0.1321","0.1384","","","","","","1.232","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113647","23.915","0.005","25.14","0.004","13.047","0.003","90","","90","","90","","7844","3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C79 H24 Ag B22 Cl18 N -","- C79 H24 Ag B22 Cl18 N -","- C316 H96 Ag4 B88 Cl72 N4 -","4","0.5","","Kee-Chan Kim; Frank Hauke; Andreas Hirsch; Peter D. W. Boyd; Elizabeth Carter; Robert S. Armstrong; Peter A. Lay; Christopher A. Reed","Synthesis of the C59N+ Carbocation. A Monomeric Azafullerene Isoelectronic to C60","Journal of the American Chemical Society","2003","125","","4024","4025","10.1021/ja034014r","","","0.71073","MoKα","","0.0973","0.0693","","","0.1851","0.2146","","","","","","1.029","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113648","7.617","0.005","8.567","0.005","10.404","0.005","100.59","0.005","106.34","0.005","106.11","0.005","600.1","0.6","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 O2 Si4 -","- C20 H32 O2 Si4 -","- C20 H32 O2 Si4 -","1","0.5","","Cosmina Dutan; Sylvie Choua; Théo Berclaz; Michel Geoffroy; Nicolas Mézailles; Audrey Moores; Louis Ricard; Pascal Le Floch","Electron Transfer between Two Silyl-Substituted Phenylene Rings: EPR/ENDOR Spectra, DFT Calculations, and Crystal Structure of the One-Electron Reduction Compound of a Di(m-silylphenylenedisiloxane)","Journal of the American Chemical Society","2003","125","","4487","4494","10.1021/ja0209060","","","0.71069","MoKα","","0.0386","0.0325","","","0.0924","0.0969","","","","","","1.033","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113649","10.268","0.005","10.604","0.005","11.829","0.005","72.95","0.005","87.14","0.005","81.82","0.005","1218.8","1","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H72 K O10 Si4 -","- C40 H72 K O10 Si4 -","- C40 H72 K O10 Si4 -","1","0.5","","Cosmina Dutan; Sylvie Choua; Théo Berclaz; Michel Geoffroy; Nicolas Mézailles; Audrey Moores; Louis Ricard; Pascal Le Floch","Electron Transfer between Two Silyl-Substituted Phenylene Rings: EPR/ENDOR Spectra, DFT Calculations, and Crystal Structure of the One-Electron Reduction Compound of a Di(m-silylphenylenedisiloxane)","Journal of the American Chemical Society","2003","125","","4487","4494","10.1021/ja0209060","","","0.71069","MoKα","","0.0606","0.0443","","","0.1066","0.1171","","","","","","1.035","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113650","11.7096","0.001","12.3659","0.0011","12.3697","0.001","88.925","0.002","79.172","0.002","79.722","0.002","1730.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H102 B2 Co2 N14 Si2 -","- C62 H102 B2 Co2 N14 Si2 -","- C62 H102 B2 Co2 N14 Si2 -","1","0.5","","Sunita Thyagarajan; Daniel T. Shay; Christopher D. Incarvito; Arnold L. Rheingold; Klaus H. Theopold","Intramolecular C-H Activation by Inferred Terminal Cobalt Imido Intermediates","Journal of the American Chemical Society","2003","125","","4440","4441","10.1021/ja028267g","","","0.71073","MoKα","","0.0813","0.0584","","","0.1567","0.1766","","","","","","1.187","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113651","12.4593","0.0013","10.446","0.0011","29.652","0.003","90","","97.321","0.002","90","","3827.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H61 B Co N7 Si -","- C32 H61 B Co N7 Si -","- C128 H244 B4 Co4 N28 Si4 -","4","1","","Sunita Thyagarajan; Daniel T. Shay; Christopher D. Incarvito; Arnold L. Rheingold; Klaus H. Theopold","Intramolecular C-H Activation by Inferred Terminal Cobalt Imido Intermediates","Journal of the American Chemical Society","2003","125","","4440","4441","10.1021/ja028267g","","","0.71073","MoKα","","0.105","0.0683","","","0.1795","0.2026","","","","","","1.334","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113652","15.5674","0.0015","38.892","0.004","9.4511","0.0009","90","","93.495","0.002","90","","5711.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H87 N6 O3 U -","- C57 H87 N6 O3 U -","- C228 H348 N24 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Kristian Olsen; Peter Gantzel; Karsten Meyer","Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium(III) Center with a Single Pocket for Reactivity","Journal of the American Chemical Society","2003","125","","4565","4571","10.1021/ja028342n","","","0.71073","MoKα","","0.0687","0.0459","","","0.0894","0.0935","","","","","","1.031","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113653","26.853","0.002","15.5322","0.0013","28.082","0.002","90","","93.617","0.001","90","","11689.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H188 N8 O6 Si2 U2 -","- C114 H188 N8 O6 Si2 U2 -","- C456 H752 N32 O24 Si8 U8 -","4","1","","Ingrid Castro-Rodriguez; Kristian Olsen; Peter Gantzel; Karsten Meyer","Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium(III) Center with a Single Pocket for Reactivity","Journal of the American Chemical Society","2003","125","","4565","4571","10.1021/ja028342n","","","0.71073","MoKα","","0.0517","0.0342","","","0.0769","0.0803","","","","","","0.917","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113654","14.563","0.005","19.866","0.007","24.082","0.008","90","","100.187","0.005","90","","6857","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H92 N6 O3 U -","- C57 H92 N6 O3 U -","- C228 H368 N24 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Kristian Olsen; Peter Gantzel; Karsten Meyer","Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium(III) Center with a Single Pocket for Reactivity","Journal of the American Chemical Society","2003","125","","4565","4571","10.1021/ja028342n","","","0.71073","MoKα","","0.1117","0.0655","","","0.1525","0.1734","","","","","","1.015","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113655","29.486","0.004","29.833","0.004","37.579","0.005","90","","90","","90","","33057","8","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H124 Cl Co N13 O31 P -","- C64 H90 Cl Co N13 O31 P -","- C1024 H1440 Cl16 Co16 N208 O496 P16 -","16","4","","Kevin M. McCauley; Scott R. Wilson; Wilfred A. van der Donk","Characterization of Chlorovinylcobalamin, A Putative Intermediate in Reductive Degradation of Chlorinated Ethylenes","Journal of the American Chemical Society","2003","125","","4410","4411","10.1021/ja029692c","","","1.54178","CuKα","","0.122","0.1012","","","0.2744","0.2901","","","","","","1.133","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113656","14.0484","0.0009","17.0002","0.0011","26.8819","0.0018","79.076","0.001","84.661","0.001","69.409","0.001","5898.6","0.7","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C20.13 H43.5 B Cu F4 N3 Ni1.5 O S3 -","- C20.125 H42 B Cu F4 N3 Ni1.5 O S3 -","- C161 H336 B8 Cu8 F32 N24 Ni12 O8 S24 -","8","4","","Rangan Krishnan; Janis K. Voo; Charles G. Riordan; Lev Zahkarov; Arnold L. Rheingold","Thiolate-Bridged Nickel-Copper Complexes: A Binuclear Model for the Catalytic Site of Acetyl Coenzyme A Synthase?","Journal of the American Chemical Society","2003","125","","4422","4423","10.1021/ja0346577","","","0.71073","MoKα","","0.0761","0.0557","","","0.1492","0.1644","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113657","18.1866","0.0012","14.585","0.001","20.3877","0.0014","90","","99.295","0.001","90","","5336.9","0.6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H62 Cu2 K2 N4 Ni2 O9 S4 -","- C43 H62 Cu2 K2 N4 Ni2 O9 S4 -","- C172 H248 Cu8 K8 N16 Ni8 O36 S16 -","4","0.5","","Rangan Krishnan; Janis K. Voo; Charles G. Riordan; Lev Zahkarov; Arnold L. Rheingold","Thiolate-Bridged Nickel-Copper Complexes: A Binuclear Model for the Catalytic Site of Acetyl Coenzyme A Synthase?","Journal of the American Chemical Society","2003","125","","4422","4423","10.1021/ja0346577","","","0.71073","MoKα","","0.0337","0.0294","","","0.0778","0.08","","","","","","1.004","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4113658","12.201","0.0011","13.55","0.0012","13.9605","0.0013","98.423","0.002","111.255","0.001","110.379","0.002","1915.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H62 B Cu N2 Ni S5 -","- C32 H62 B Cu N2 Ni S5 -","- C64 H124 B2 Cu2 N4 Ni2 S10 -","2","1","","Rangan Krishnan; Janis K. Voo; Charles G. Riordan; Lev Zahkarov; Arnold L. Rheingold","Thiolate-Bridged Nickel-Copper Complexes: A Binuclear Model for the Catalytic Site of Acetyl Coenzyme A Synthase?","Journal of the American Chemical Society","2003","125","","4422","4423","10.1021/ja0346577","","","0.71073","MoKα","","0.079","0.0608","","","0.1542","0.1639","","","","","","1.068","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113659","19.934","0.007","13.572","0.005","21.073","0.007","90","","106.973","0.006","90","","5453","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 B Cr F4 N6 -","- C66 H42 B Cr F4 N6 -","- C264 H168 B4 Cr4 F16 N24 -","4","0.5","","Randall E. Robinson; Thomas C. Holovics; Stephan F. Deplazes; Gerald H. Lushington; Douglas R. Powell; Mikhail V. Barybin","First Isocyanoazulene and Its Homoleptic Complexes","Journal of the American Chemical Society","2003","125","","4432","4433","10.1021/ja034706f","","","0.71073","MoKα","","0.0997","0.0641","","","0.1541","0.1733","","","","","","0.969","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113660","13.2609","0.0011","13.7486","0.001","22.1473","0.0018","105.949","0.002","94.927","0.003","108.663","0.004","3610.7","0.5","91","2","91","2","","","","","","","","5","P -1","-P 1","2","Fe(OEP-NH2)degradation product","","","- C38 H49 Fe N5 O3 -","- C38 H49 Fe N5 O3 -","- C152 H196 Fe4 N20 O12 -","4","2","","Heather Kalish; Hon Man Lee; Marilyn M. Olmstead; Lechosław Latos-Grażyński; Sankar Prasad Rath; Alan L. Balch","Heme Cleavage with Remarkable Ease: Paramagnetic Intermediates Formed by Aerobic Oxidation of a Meso-Amino-Substituted Iron Porphyrin","Journal of the American Chemical Society","2003","125","","4674","4675","10.1021/ja021253q","","","0.71073","MoKα","","0.1134","0.0627","","","0.1519","0.1838","","","","","","1.023","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113661","12.56","0.0008","9.1084","0.0008","14.2275","0.0011","90","","102.86","0.005","90","","1586.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl4 N10 O4 P6 -","- C16 H34 Cl4 N10 O4 P6 -","- C32 H68 Cl8 N20 O8 P12 -","2","0.5","","Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot","Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent","Journal of the American Chemical Society","2003","125","","4943","4950","10.1021/ja028871r","","","0.71073","MoKα","","0.1633","0.0612","","","0.1217","0.1539","","","","","","0.957","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113662","21.039","0.004","9.6447","0.0019","43.486","0.009","90","","90","","90","","8824","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H62 Cl4 N14 P6 -","- C26 H62 Cl4 N14 P6 -","- C208 H496 Cl32 N112 P48 -","8","1","","Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot","Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent","Journal of the American Chemical Society","2003","125","","4943","4950","10.1021/ja028871r","","","0.71073","MoKα","","0.1789","0.0675","","","0.1191","0.1508","","","","","","0.949","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113663","9.7031","0.0019","12.361","0.003","18.828","0.004","95.15","0.03","98.9","0.03","96.32","0.03","2204.3","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H62 Cl4 N14 P6 -","- C26 H62 Cl4 N14 P6 -","- C52 H124 Cl8 N28 P12 -","2","1","","Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot","Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent","Journal of the American Chemical Society","2003","125","","4943","4950","10.1021/ja028871r","","","0.71073","MoKα","","0.115","0.0732","","","0.183","0.2134","","","","","","1.003","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113664","25.528","0.005","14.911","0.003","17.257","0.004","90","","96.39","0.03","90","","6528","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H37 N4 O6 P3 -","- C32 H37 N4 O6 P3 -","- C256 H296 N32 O48 P24 -","8","1","","Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot","Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent","Journal of the American Chemical Society","2003","125","","4943","4950","10.1021/ja028871r","","","0.71073","MoKα","","0.0971","0.076","","","0.1937","0.2136","","","","","","1.031","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113665","8.7188","0.0005","14.5607","0.0007","8.5946","0.0005","99.563","0.003","89.526","0.001","73.718","0.004","1031.05","0.1","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","manuscript number (JA0292748) [1-(Toluene-4-sulfonyl)-2,3-dihydro-1H-quinolin-[spiro -4'-(3',4'-dihydro-2H-pyran)]-acetic acid methyl ester","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C46 H46 N2 O10 S2 -","2","1","","Manabu Hatano; Koichi Mikami","Highly Enantioselective Quinoline Synthesis via Ene-type Cyclization of 1,7-Enynes Catalyzed by a Cationic BINAP-Palladium(II) Complex","Journal of the American Chemical Society","2003","125","","4704","4705","10.1021/ja0292748","","","0.71069","MoKα","","0.0697","0.0647","","","0.1817","0.1838","","","","","","1.827","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113666","9.3996","0.0002","19.402","0.0004","9.8885","0.0002","90","","92.88","0.001","90","","1801.1","0.06","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","manuscript number (JA0292748) 4-Methylene-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro -quinoline-3-spiro-4'-(3',4'-dihydro-2H-pyran).","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C84 H84 N4 O12 S4 -","4","1","","Manabu Hatano; Koichi Mikami","Highly Enantioselective Quinoline Synthesis via Ene-type Cyclization of 1,7-Enynes Catalyzed by a Cationic BINAP-Palladium(II) Complex","Journal of the American Chemical Society","2003","125","","4704","4705","10.1021/ja0292748","","","0.71069","MoKα","","0.0578","0.0508","","","0.1391","0.1419","","","","","","1.56","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113667","8.7403","0.0002","14.6538","0.0007","8.4165","0.0003","99.17","0.001","90.207","0.003","72.859","0.002","1015.85","0.07","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","manuscript number (JA0292748) [1-(Toluene-4-sulfonyl)-2,3-dihydro-1H-quinolin-4 -ylidene-3-spirocyclopent-2'-ene]-acetic acid methyl ester.","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Manabu Hatano; Koichi Mikami","Highly Enantioselective Quinoline Synthesis via Ene-type Cyclization of 1,7-Enynes Catalyzed by a Cationic BINAP-Palladium(II) Complex","Journal of the American Chemical Society","2003","125","","4704","4705","10.1021/ja0292748","","","0.71069","MoKα","","0.0654","0.0617","","","0.1845","0.1862","","","","","","1.804","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113668","19.102","0.002","19.102","0.002","20.535","0.003","90","","90","","90","","7492.9","1.6","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C38 H30 B12 F12 -","- C38 H30 B12 F12 -","- C304 H240 B96 F96 -","8","0.25","","Sergei V. Ivanov; Susie M. Miller; Oren P. Anderson; Konstantin A. Solntsev; Steven H. Strauss","Synthesis and Stability of Reactive Salts of Dodecafluoro-closo-dodecaborate(2-)","Journal of the American Chemical Society","2003","125","","4694","4695","10.1021/ja0296374","","","0.71073","MoKα","","0.1247","0.0614","","","0.099","0.117","","","","","","0.986","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113669","10.705","0.004","21.283","0.003","6.981","0.003","90","","90","","90","","1590.5","0.9","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O S -","- C72 H88 O4 S4 -","- C72 H88 O4 S4 -","","","","Shengming Ma; Hongjun Ren; Qi Wei","Highly Regio- and Stereoselective Halohydroxylation Reaction of 1,2-Allenyl Phenyl Sulfoxides. Reaction Scope, Mechanism, and the Corresponding Pd- or Ni-Catalyzed Selective Coupling Reactions","Journal of the American Chemical Society","2003","125","","4817","4830","10.1021/ja034039q","","","0.7107","MoKalpha","","","0.044","","","0.047","","","","","1.57","1.57","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113670","9.102","0.001","15.105","0.002","8.811","0.002","99.21","0.01","118.63","0.01","83.36","0.01","1048.5","0.3","20","","20","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 I O2 S -","- C36 H36 I4 O8 S4 -","- C36 H36 I4 O8 S4 -","","","","Shengming Ma; Hongjun Ren; Qi Wei","Highly Regio- and Stereoselective Halohydroxylation Reaction of 1,2-Allenyl Phenyl Sulfoxides. Reaction Scope, Mechanism, and the Corresponding Pd- or Ni-Catalyzed Selective Coupling Reactions","Journal of the American Chemical Society","2003","125","","4817","4830","10.1021/ja034039q","","","0.7107","MoKalpha","","","0.035","","","0.049","","","","","2.16","2.16","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113671","7.576","0.004","37.003","0.007","6.523","0.004","90","","90","","90","","1828.6","1.5","20","","20","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 I O2 S -","- C72 H92 I4 O8 S4 -","- C72 H92 I4 O8 S4 -","","","","Shengming Ma; Hongjun Ren; Qi Wei","Highly Regio- and Stereoselective Halohydroxylation Reaction of 1,2-Allenyl Phenyl Sulfoxides. Reaction Scope, Mechanism, and the Corresponding Pd- or Ni-Catalyzed Selective Coupling Reactions","Journal of the American Chemical Society","2003","125","","4817","4830","10.1021/ja034039q","","","0.7107","MoKalpha","","","0.041","","","0.049","","","","","1.69","1.69","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113672","14.961","0.003","9.4548","0.0016","15.518","0.003","90","","116.715","0.003","90","","1960.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Xue-Feng Zhu; Jie Lan; Ohyun Kwon","An Expedient Phosphine-Catalyzed [4 + 2] Annulation: Synthesis of Highly Functionalized Tetrahydropyridines","Journal of the American Chemical Society","2003","125","","4716","4717","10.1021/ja0344009","","","0.71073","MoKα","","0.1075","0.0392","","","0.0737","0.0868","","","","","","0.837","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113673","27.428","0.01","11.752","0.004","14.272","0.005","90","","93.14","0.007","90","","4593","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C216 H216 N8 O32 S8 -","8","1","","Xue-Feng Zhu; Jie Lan; Ohyun Kwon","An Expedient Phosphine-Catalyzed [4 + 2] Annulation: Synthesis of Highly Functionalized Tetrahydropyridines","Journal of the American Chemical Society","2003","125","","4716","4717","10.1021/ja0344009","","","0.71073","MoKα","","0.0799","0.0605","","","0.1365","0.1478","","","","","","1.065","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113674","11.196","0.001","8.7892","0.0007","13.566","0.001","90","","108.307","0.002","90","","1267.38","0.18","285.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 N O4 P -","- C29 H26 N O4 P -","- C58 H52 N2 O8 P2 -","2","1","","Shigeki Matsunaga; Naoya Kumagai; Shinji Harada; Masakatsu Shibasaki","anti-Selective Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Providing β-Amino Alcohols","Journal of the American Chemical Society","2003","125","","4712","4713","10.1021/ja034787f","","","0.7107","MoKα","","","0.0391","","","","0.0518","","","","","","0.85","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113675","8.782","0.0002","17.343","0.0008","21.47","0.001","90","","90.131","0.003","90","","3270","0.2","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-Diethyl-1,1-bis(tri-tert-butylsilyl)-1-silacycloprop-2-ene","","- C30 H64 Si3 -","- C30 H64 Si3 -","- C120 H256 Si12 -","4","1","","Akira Sekiguchi; Takashi Tanaka; Masaaki Ichinohe; Kimio Akiyama; Shozo Tero-Kubota","Bis(tri-tert-butylsilyl)silylene: Triplet Ground State Silylene","Journal of the American Chemical Society","2003","125","","4962","4963","10.1021/ja020929e","","","0.7107","MoKα","","0.061","0.0459","","","0.1149","0.1234","","","","","","1.023","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113676","12.886","0.0004","15.848","0.0005","16.418","0.0005","90","","111.171","0.002","90","","3126.55","0.17","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1-Bis(tri-tert-butylsilyl)-2,3-dimethyl-1-silacycloprop-2-ene","","- C28 H60 Si3 -","- C28 H60 Si3 -","- C112 H240 Si12 -","4","1","","Akira Sekiguchi; Takashi Tanaka; Masaaki Ichinohe; Kimio Akiyama; Shozo Tero-Kubota","Bis(tri-tert-butylsilyl)silylene: Triplet Ground State Silylene","Journal of the American Chemical Society","2003","125","","4962","4963","10.1021/ja020929e","","","0.7107","MoKα","","0.0551","0.0477","","","0.1332","0.1391","","","","","","1.012","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113677","8.661","0.0002","25.824","0.0005","14.482","0.0002","90","","91.771","0.001","90","","3237.52","0.11","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4-Di-tert-butyl-2,3-diethyl-5,5-dimethyl-1-tri-tert-butylsilyl- 1,4-disilacyclohex-2-ene","","- C30 H64 Si3 -","- C30 H64 Si3 -","- C120 H256 Si12 -","4","1","","Akira Sekiguchi; Takashi Tanaka; Masaaki Ichinohe; Kimio Akiyama; Shozo Tero-Kubota","Bis(tri-tert-butylsilyl)silylene: Triplet Ground State Silylene","Journal of the American Chemical Society","2003","125","","4962","4963","10.1021/ja020929e","","","0.7107","MoKα","","0.0363","0.0343","","","0.0976","0.0996","","","","","","1.022","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113678","11.0133","0.0004","15.2191","0.0008","34.881","0.002","90","","90","","90","","5846.5","0.5","123.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H50 Cl2 F12 N O4 P -","- C63 H50 Cl2 F12 N O4 P -","- C252 H200 Cl8 F48 N4 O16 P4 -","4","1","","Takashi Ooi; Minoru Kameda; Keiji Maruoka","Design of N-Spiro C2-Symmetric Chiral Quaternary Ammonium Bromides as Novel Chiral Phase-Transfer Catalysts: Synthesis and Application to Practical Asymmetric Synthesis of α-Amino Acids","Journal of the American Chemical Society","2003","125","","5139","5151","10.1021/ja021244h","","","0.7107","MoKα","","","0.0836","","","","0.2343","","","","","","1.486","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113679","14.6723","0.0009","25.127","0.001","10.839","0.0005","90","","90","","90","","3996","0.3","288.2","","","","","","","","","","","4","I 21 21 21","I 2b 2c","24","","","","- C50 H44 Br N3 -","- C50 H44 Br N4 -","- C200 H176 Br4 N16 -","4","0.5","","Takashi Ooi; Minoru Kameda; Keiji Maruoka","Design of N-Spiro C2-Symmetric Chiral Quaternary Ammonium Bromides as Novel Chiral Phase-Transfer Catalysts: Synthesis and Application to Practical Asymmetric Synthesis of α-Amino Acids","Journal of the American Chemical Society","2003","125","","5139","5151","10.1021/ja021244h","","","0.7107","MoKα","","","0.0712","","","","0.2064","","","","","","1.256","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113680","8.0418","0.0006","11.192","0.0009","15.8196","0.0012","82.927","0.002","89.152","0.002","73.488","0.002","1354.41","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 Br O4 Si -","- C28 H33 Br O4 Si -","- C56 H66 Br2 O8 Si2 -","2","1","","Chaomin Li; Richard P. Johnson; John A. Porco","Total Synthesis of the Quinone Epoxide Dimer (+)-Torreyanic Acid: Application of a Biomimetic Oxidation/Electrocyclization/Diels-Alder Dimerization Cascade1","Journal of the American Chemical Society","2003","125","","5095","5106","10.1021/ja021396c","","","0.71073","MoKα","","0.0346","0.0273","","","0.0748","0.0782","","","","","","1.005","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113681","18.137","0.003","14.917","0.002","10.2722","0.0017","90","","95.999","0.005","90","","2763.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Br O4 Si -","- C29 H30 Br O4 Si -","- C116 H120 Br4 O16 Si4 -","4","1","","Chaomin Li; Richard P. Johnson; John A. Porco","Total Synthesis of the Quinone Epoxide Dimer (+)-Torreyanic Acid: Application of a Biomimetic Oxidation/Electrocyclization/Diels-Alder Dimerization Cascade1","Journal of the American Chemical Society","2003","125","","5095","5106","10.1021/ja021396c","","","0.71073","MoKα","","0.0741","0.0387","","","0.0857","0.0992","","","","","","0.941","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113682","8.1252","0.0012","13.613","0.002","16.659","0.003","82.429","0.005","78.351","0.005","73.558","0.005","1725.4","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","Torreyanic Acid","","","- C38 H49 O8 -","- C38 H40 O8 -","- C76 H80 O16 -","2","1","","Chaomin Li; Richard P. Johnson; John A. Porco","Total Synthesis of the Quinone Epoxide Dimer (+)-Torreyanic Acid: Application of a Biomimetic Oxidation/Electrocyclization/Diels-Alder Dimerization Cascade1","Journal of the American Chemical Society","2003","125","","5095","5106","10.1021/ja021396c","","","0.71073","MoKα","","0.0951","0.0551","","","0.1353","0.1586","","","","","","0.984","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113683","28.105","0.003","6.3582","0.0006","19.2691","0.0018","90","","117.599","0.002","90","","3051.5","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O4 -","- C17 H19 O4 -","- C136 H152 O32 -","8","1","","Chaomin Li; Richard P. Johnson; John A. Porco","Total Synthesis of the Quinone Epoxide Dimer (+)-Torreyanic Acid: Application of a Biomimetic Oxidation/Electrocyclization/Diels-Alder Dimerization Cascade1","Journal of the American Chemical Society","2003","125","","5095","5106","10.1021/ja021396c","","","0.71073","MoKα","","0.0831","0.0513","","","0.108","0.1192","","","","","","1.059","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113684","4.7177","0.0001","16.9643","0.0001","19.4494","0.0001","71.1","0.001","88.345","0.001","89.735","0.001","1472.03","0.03","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 N4 O4 S4 -","- C28 H30 N4 O4 S4 -","- C56 H60 N8 O8 S8 -","2","1","","Amy B. Koren; M. David Curtis; Anthony H. Francis; Jeff W. Kampf","Intermolecular Interactions in π-Stacked Conjugated Molecules. Synthesis, Structure, and Spectral Characterization of Alkyl Bithiazole Oligomers","Journal of the American Chemical Society","2003","125","","5040","5050","10.1021/ja029216m","","","0.71073","MoKα","","0.0677","0.0475","","","0.1157","0.1254","","","","","","1.073","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113685","4.9902","0.0001","9.4924","0.0002","16.9038","0.0003","105.997","0.001","91.479","0.001","99.28","0.001","757.55","0.03","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 N4 O8 S4 -","- C28 H38 N4 O8 S4 -","- C28 H38 N4 O8 S4 -","1","0.5","","Amy B. Koren; M. David Curtis; Anthony H. Francis; Jeff W. Kampf","Intermolecular Interactions in π-Stacked Conjugated Molecules. Synthesis, Structure, and Spectral Characterization of Alkyl Bithiazole Oligomers","Journal of the American Chemical Society","2003","125","","5040","5050","10.1021/ja029216m","","","0.71073","MoKα","","0.1519","0.1354","","","0.3732","0.379","","","","","","1.213","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113686","9.2787","0.0001","29.8874","0.0004","18.4486","0.0003","90","","104.414","0.0006","90","","4955.06","0.12","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.75 H69.5 Cl1.5 N2 O6 P4 Pt2 -","- C38.75 H69.5 Cl1.5 N2 O6 P4 Pt2 -","- C155 H278 Cl6 N8 O24 P16 Pt8 -","4","1","","Yury K. Kryschenko; S. Russell Seidel; Atta M. Arif; Peter J. Stang","Coordination-Driven Self-Assembly of Predesigned Supramolecular Triangles","Journal of the American Chemical Society","2003","125","","5193","5198","10.1021/ja030018k","","","0.71073","MoKα","","0.0662","0.0433","","","0.0969","0.1058","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113687","10.4887","0.0002","41.3852","0.001","23.0853","0.0006","90","","99.366","0.001","90","","9887.2","0.4","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C144 H228 N12 O18 P12 Pt6 -","- C144 H218 N12 O18 P12 Pt6 -","- C288 H436 N24 O36 P24 Pt12 -","2","0.5","","Yury K. Kryschenko; S. Russell Seidel; Atta M. Arif; Peter J. Stang","Coordination-Driven Self-Assembly of Predesigned Supramolecular Triangles","Journal of the American Chemical Society","2003","125","","5193","5198","10.1021/ja030018k","","","0.71073","MoKα","","0.1434","0.0928","","","0.2755","0.3021","","","","","","1.012","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113688","8.0488","0.0011","8.0488","0.0011","30.552","0.006","90","","90","","120","","1714.1","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C15 H18 Mn2 N16 O -","- C15 H14 Mn2 N16 O -","- C45 H42 Mn6 N48 O3 -","3","0.5","","En-Qing Gao; Shi-Qiang Bai; Zhe-Ming Wang; Chun-Hua Yan","Two-Dimensional Homochiral Manganese(II)-Azido Frameworks Incorporating an Achiral Ligand: Partial Spontaneous Resolution and Weak Ferromagnetism","Journal of the American Chemical Society","2003","125","","4984","4985","10.1021/ja034129v","","","0.71073","MoKα","","0.0802","0.0425","","","0.089","0.1018","","","","","","1.026","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113689","15.0691","0.0004","7.829","0.0003","17.4369","0.0004","90","","96.088","0.002","90","","2045.53","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Mn2 N16 -","- C14 H14 Mn2 N16 -","- C56 H56 Mn8 N64 -","4","0.5","","En-Qing Gao; Shi-Qiang Bai; Zhe-Ming Wang; Chun-Hua Yan","Two-Dimensional Homochiral Manganese(II)-Azido Frameworks Incorporating an Achiral Ligand: Partial Spontaneous Resolution and Weak Ferromagnetism","Journal of the American Chemical Society","2003","125","","4984","4985","10.1021/ja034129v","","","0.71073","MoKα","","0.0663","0.0346","","","0.0785","0.0895","","","","","","1.012","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113690","5.9629","0.0007","10.338","0.0011","34.083","0.004","90","","90","","90","","2101","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","","Christopher D. Vanderwal; David A. Vosburg; Sven Weiler; Erik J. Sorensen","An Enantioselective Synthesis of FR182877 Provides a Chemical Rationalization of Its Structure and Affords Multigram Quantities of Its Direct Precursor","Journal of the American Chemical Society","2003","125","","5393","5407","10.1021/ja021472b","","","0.71073","MoKα","","0.1","0.0575","","","0.1159","0.132","","","","","","1.018","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113691","10.2034","0.0009","6.8456","0.0006","25.029","0.002","90","","100.168","0.002","90","","1720.8","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-tert-butyl-endo-2-(4-cyanophenyl)-5-phenylbicyclo[3.1.0]hexan-3-one","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","","Howard E. Zimmerman; Evgueni E. Nesterov","An Experimental and Theoretical Study of the Type C Enone Rearrangement: Mechanistic and Exploratory Organic Photochemistry1","Journal of the American Chemical Society","2003","125","","5422","5430","10.1021/ja028631b","","","0.71073","MoKα","","0.088","0.0619","","","0.1521","0.1667","","","","","","1.042","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113692","9.3266","0.0005","15.8144","0.0008","11.1575","0.0006","90","","90.195","0.001","90","","1645.66","0.15","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H46 N2 O2 Zn2 -","- C38 H46 N2 O2 Zn2 -","- C76 H92 N4 O4 Zn4 -","2","1","","Koji Nakano; Kyoko Nozaki; Tamejiro Hiyama","Asymmetric Alternating Copolymerization of Cyclohexene Oxide and CO2 with Dimeric Zinc Complexes","Journal of the American Chemical Society","2003","125","","5501","5510","10.1021/ja028666b","","","0.71073","MoKα","","0.0341","0.031","","","0.0703","0.0711","","","","","","0.977","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113693","14.5089","0.0016","14.6962","0.0016","22.214","0.003","90","","90","","90","","4736.6","1","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H50 F12 N2 O2 Zn2 -","- C49 H50 F12 N2 O2 Zn2 -","- C196 H200 F48 N8 O8 Zn8 -","4","1","","Koji Nakano; Kyoko Nozaki; Tamejiro Hiyama","Asymmetric Alternating Copolymerization of Cyclohexene Oxide and CO2 with Dimeric Zinc Complexes","Journal of the American Chemical Society","2003","125","","5501","5510","10.1021/ja028666b","","","0.71073","MoKα","","0.1398","0.048","","","0.0898","0.1196","","","","","","0.632","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113694","6.4845","0.0011","5.6366","0.001","27.519","0.005","90","","90","","90","","1005.8","0.3","213","2","213","2","","","","","","","synthesized","4","C m c a","-C 2ac 2","64","trans-3-iodoacrylic acid","trans-3-iodopropenoic acid","","- C3 H3 I O2 -","- C3 H3 I O2 -","- C24 H24 I8 O16 -","8","","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0255","0.0241","","0.0619","0.0607","","","","1.197","1.2","1.2","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113695","6.8251","0.0011","7.0639","0.0011","7.4907","0.0012","89.268","0.003","74.028","0.003","80.275","0.003","341.99","0.09","213","2","213","2","","","","","","","synthesized","4","P -1","-P 1","2","","3-chloro-2-pentenedioic acid","","- C5 H5 Cl O4 -","- C5 H5 Cl O4 -","- C10 H10 Cl2 O8 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0398","0.0376","","0.1086","0.1042","","","","1.064","1.065","1.065","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113696","5.976","0.003","7.55","0.003","11.552","0.011","96.3","0.05","90.03","0.03","105.77","0.03","498.3","0.6","213","2","213","2","","","","","","","synthesized","3","P -1","-P 1","2","dimethyl-trans,trans,trans-2,4,6-octatrienedioate","","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0481","0.044","","0.1238","0.118","","","","1.112","1.126","1.126","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113697","10.2246","0.001","16.531","0.002","6.2439","0.0006","90","","90","","90","","1055.36","0.19","213","2","213","2","","","","","","","synthesized","3","I b a m","-I 2 2c","72","","(E)-penta-2,4-dienoic acid","","- C5 H6 O2 -","- C5 H6 O2 -","- C40 H48 O16 -","8","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0384","0.0352","","0.1181","0.1094","","","","1.077","1.057","1.057","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113698","5.725","0.001","7.7002","0.0014","14.178","0.003","84.059","0.003","82.291","0.003","74.9","0.003","596.4","0.2","213","2","213","2","","","","","","","","3","P -1","-P 1","2","deca-4:6-diynedioic acid dimethyl ester","","","- C12 H14 O4 -","- C12 H14 O4 -","- C24 H28 O8 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0867","0.0541","","","0.1423","0.1638","","","","","","1.04","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113699","5.9286","0.0012","6.6599","0.0013","7.7447","0.0016","104.439","0.004","94.001","0.004","104.544","0.004","283.77","0.1","213","2","213","2","","","","","","","","3","P -1","-P 1","2","texic acid dimethyl ester","Deca-trans,trans,trans,trans-2:4:6:8-tetraene-1,10-dioic acid dimethyl ester","","- C12 H14 O4 -","- C12 H14 O4 -","- C12 H14 O4 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0512","0.0392","","","0.1046","0.1128","","","","","","1.078","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113700","5.709","0.0011","5.7192","0.0011","6.8962","0.0013","93.476","0.003","108.286","0.003","94.946","0.003","212.08","0.07","213","2","213","2","","","","","","","","3","P -1","-P 1","2","cis,cis-muconic acid dimethyl ester","","","- C8 H10 O4 -","- C8 H10 O4 -","- C8 H10 O4 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0353","0.0333","","","0.0909","0.0932","","","","","","1.103","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113701","5.7888","0.0011","5.8066","0.0011","6.7136","0.0013","105.021","0.003","105.843","0.003","92.465","0.003","208.1","0.07","213","2","213","2","","","","","","","","3","P -1","-P 1","2","trans,trans-muconic acid dimethyl ester","","","- C8 H10 O4 -","- C8 H10 O4 -","- C8 H10 O4 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0427","0.0366","","","0.1071","0.1126","","","","","","1.059","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113702","10.7683","0.0009","15.7031","0.0013","38.653","0.003","90","","91.749","0.002","90","","6533","0.9","213","2","213","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H71 B Mo2 N8 O6 -","- C73 H71 B Mo2 N8 O6 -","- C292 H284 B4 Mo8 N32 O24 -","4","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.107","0.0622","","0.1488","0.1286","","","","1.055","1.172","1.172","","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113703","11.4243","0.0019","12.827","0.002","18.004","0.003","78.96","0.003","72.683","0.003","72.767","0.003","2390.1","0.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H49 Cl2 Mo2 N7 O6 -","- C47.5 H49 Cl2 Mo2 N7 O6 -","- C95 H98 Cl4 Mo4 N14 O12 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0563","0.049","","","0.1243","0.1316","","","","","","1.055","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113704","10.527","0.002","19.057","0.004","25.424","0.005","101.04","0.03","90.23","0.03","93.04","0.03","4998.4","1.8","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H54 Cl Mo2 N6 O8 -","- C51.5 H46 Cl Mo2 N6 O8 -","- C206 H184 Cl4 Mo8 N24 O32 -","4","2","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0932","0.0712","","","0.1673","0.1908","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113705","17.6216","0.001","16.9509","0.0009","15.9886","0.0009","90","","106.953","0.001","90","","4568.3","0.4","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Mo2 N6 O8 -","- C48 H48 Mo2 N6 O8 -","- C192 H192 Mo8 N24 O32 -","4","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.037","0.0293","","","0.0708","0.0767","","","","","","1.06","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113706","11.6419","0.0007","14.1583","0.0008","17.8869","0.0011","105.071","0.001","103.045","0.001","99.095","0.001","2698.8","0.3","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C52 H54 Cl4 Mo2 N6 O8 -","- C52 H54 Cl4 Mo2 N6 O8 -","- C104 H108 Cl8 Mo4 N12 O16 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0488","0.0411","","0.1194","0.1101","","","","1.049","1.05","1.05","","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113707","13.6105","0.0007","17.3336","0.0009","22.7936","0.0011","71.867","0.001","74.644","0.001","71.635","0.001","4766.5","0.4","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C96 H96 Cl2 Mo4 N12 O16 -","- C96 H92 Cl2 Mo4 N12 O16 -","- C192 H184 Cl4 Mo8 N24 O32 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0505","0.0369","","0.1128","0.0945","","","","1.036","0.969","0.969","","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113708","36.948","0.004","51.99","0.006","10.2531","0.0011","90","","90","","90","","19695","4","213","2","213","2","","","","","","","synthesized","6","F d d 2","F 2 -2d","43","","","","- C99 H100 Cl4 Mo4 N12 O16 -","- C99 H100 Cl4 Mo4 N12 O16 -","- C792 H800 Cl32 Mo32 N96 O128 -","8","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.031","0.0278","","0.0654","0.0631","","","","1.056","1.051","1.051","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113709","13.6789","0.0012","13.8688","0.0012","30.866","0.003","92.967","0.002","100.522","0.002","104.761","0.002","5537.3","0.9","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H118 Cl7 Mo4 N12 O17 -","- C107 H118 Cl7 Mo4 N12 O17 -","- C214 H236 Cl14 Mo8 N24 O34 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0996","0.0803","","","0.2042","0.2215","","","","","","1.054","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113710","11.6516","0.0007","13.8593","0.0008","17.2026","0.001","72.049","0.001","74.564","0.001","71.126","0.001","2457.5","0.3","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C100 H102 Cl4 Mo4 N12 O16 -","- C100 H102 Cl4 Mo4 N12 O16 -","- C100 H102 Cl4 Mo4 N12 O16 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0589","0.0403","","0.1122","0.0979","","","","1.032","1.037","1.037","","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113711","12.7103","0.0009","14.3171","0.001","15.6948","0.0011","103.172","0.001","103.952","0.001","99.55","0.001","2624.1","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C113 H122 Mo2 N12 O16 -","- C114 H104 Mo4 N12 O16 -","- C114 H104 Mo4 N12 O16 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0729","0.0588","","","0.1629","0.1751","","","","","","1.046","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113712","12.6901","0.001","15.0798","0.0012","15.4836","0.0012","98.081","0.001","105.715","0.001","104.35","0.001","2693.9","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Bis(dimolybdenum(II)(N,N'-di-p-anisylformamidinate)3) (μ-deca-trans,trans,trans,trans-2,4,6,8-tetraene-1,10-dioate) mono(C~6~H~14~) mono(C~6~H~4~Cl~2~) disolvate","","- C112 H116 Cl2 Mo4 N12 O16 -","- C112 H98 Cl2 Mo4 N12 O16 -","- C112 H98 Cl2 Mo4 N12 O16 -","1","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0879","0.0557","","","0.1464","0.1703","","","","","","1.043","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113713","15.286","0.001","15.286","0.001","18.709","0.002","90","","90","","120","","3785.9","0.5","293","2","298","2","","","","","","","","5","P 63","P 6c","173","","Ytterbium(iii)trisodiumtris-(S)-1,1'-bis(2-naphtoate) tetrahydrofurane solvate","","- C84 H84 Na3 O12 Yb -","- C84 H84 Na3 O12 Yb -","- C168 H168 Na6 O24 Yb2 -","2","0.333333","","Lorenzo Di Bari; Moreno Lelli; Guido Pintacuda; Gennaro Pescitelli; Fabio Marchetti; Piero Salvadori","Solution versus Solid-State Structure of Ytterbium Heterobimetallic Catalysts","Journal of the American Chemical Society","2003","125","","5549","5558","10.1021/ja0297640","","","0.71073","MoKα","","0.0789","0.0395","","","0.0801","0.0925","","","","","","1.037","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113714","10.8603","0.0001","37.0351","0.0002","21.3783","0.0002","90","","91.24","","90","","8596.6","0.12","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H90 F8 O3 P8 Pd3 -","- C83 H71 F8 O3 P8 Pd3 -","- C332 H284 F32 O12 P32 Pd12 -","4","1","","Frédéric Lemaître; Dominique Lucas; Katherine Groison; Philippe Richard; Yves Mugnier; Pierre D. Harvey","Thermal and Electrochemical C-X Activation (X = Cl, Br, I) by the Strong Lewis Acid Pd3(dppm)3(CO)2+ Cluster and Its Catalytic Applications","Journal of the American Chemical Society","2003","125","","5511","5522","10.1021/ja0297786","","","0.71073","MoKα","","0.0606","0.0405","","","0.1007","0.1059","","","","","","1.102","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113715","9.1024","0.0005","9.774","0.0006","16.2918","0.0008","90","","101.871","0.002","90","","1418.43","0.14","273.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H28 F6 Mn N4 O6 S2 -","- C22 H28 F6 Mn N4 O6 S2 -","- C44 H56 F12 Mn2 N8 O12 S4 -","2","1","","Andrew Murphy; Geraud Dubois; T. D. P. Stack","Efficient Epoxidation of Electron-Deficient Olefins with a Cationic Manganese Complex","Journal of the American Chemical Society","2003","125","","5250","5251","10.1021/ja029962r","","","0.7107","MoKα","","","0.045","","","","0.108","","","","","","0.904","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113716","9.4259","0.0006","17.4816","0.0009","30.462","0.002","90","","90","","90","","5019.5","0.5","273.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H22 F6 Mn N4 O6 S2 -","- C18 H22 F6 Mn N4 O6 S2 -","- C144 H176 F48 Mn8 N32 O48 S16 -","8","1","","Andrew Murphy; Geraud Dubois; T. D. P. Stack","Efficient Epoxidation of Electron-Deficient Olefins with a Cationic Manganese Complex","Journal of the American Chemical Society","2003","125","","5250","5251","10.1021/ja029962r","","","0.7107","MoKα","","","0.036","","","","0.095","","","","","","0.686","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113717","12.446","0.0012","16.027","0.002","27.704","0.003","90","0.01","90","0.009","90","0.009","5526.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-(Val-Ala-Phe-Aib)2-OMe","t-Butoxycarbonyl-valyl-alanyl-phenylalanyl-(alpha-aminoisobutyryl)-valyl -alanyl-phenylalanyl-(alpha-aminoisobutyryl)-methyl ester","","- C48 H72 N8 O11 -","- C48 H72 N8 O11 -","- C192 H288 N32 O44 -","4","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Chittaranjan Das; Arumugam Sriranjini; Isabella L. Karle; Padmanabhan Balaram","Aromatic-Aromatic Interactions in Crystal Structures of Helical Peptide Scaffolds Containing Projecting Phenylalanine Residues","Journal of the American Chemical Society","2003","125","","5308","5315","10.1021/ja0341283","","","1.5418","CuKα","","0.0895","0.0588","","","0.1609","0.197","","","","","","1.073","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113718","38.779","0.013","8.839","0.002","23.369","0.005","90","","104.74","0.02","90","","7747","4","293","2","293","2","","","","","","","Synthesized","4","C 1 2 1","C 2y","5","Boc-(Val-Ala-Phe-Aib)3-OMe","t-Butoxycarbonyl-valyl-alanyl-phenylalanyl-(alpha-aminoisobutyryl)-valyl -alanyl-phenylalanyl-(alpha-aminoisobutyryl)-valyl-alanyl-phenylalanyl- (alpha-aminoisobutyryl)-methyl ester","","- C69 H100 N12 O15 -","- C69 H69 N12 O15 -","- C276 H276 N48 O60 -","4","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Chittaranjan Das; Arumugam Sriranjini; Isabella L. Karle; Padmanabhan Balaram","Aromatic-Aromatic Interactions in Crystal Structures of Helical Peptide Scaffolds Containing Projecting Phenylalanine Residues","Journal of the American Chemical Society","2003","125","","5308","5315","10.1021/ja0341283","","","1.54178","CuKα","","0.2603","0.1022","","0.3143","0.2091","","","","1.015","1.404","1.404","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113719","10.802","0.003","16.361","0.005","17.853","0.006","116.405","0.005","95.535","0.007","93.164","0.006","2795.8","1.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-Aib-Ala-Phe-Aib-Phe-Ala-Val-Aib-OMe","t-Butoxycarbonyl-(alpha-aminoisobutyryl)-alanyl-phenylalanyl- (alpha-aminoisobutyryl)-phenylalanyl-alanyl-valyl-(alpha-aminoisobutyryl)- methyl ester tetrahydrate","","- C47 H70 N8 O13 -","- C47 H70 N8 O13 -","- C94 H140 N16 O26 -","2","2","","Subrayashastry Aravinda; Narayanaswamy Shamala; Chittaranjan Das; Arumugam Sriranjini; Isabella L. Karle; Padmanabhan Balaram","Aromatic-Aromatic Interactions in Crystal Structures of Helical Peptide Scaffolds Containing Projecting Phenylalanine Residues","Journal of the American Chemical Society","2003","125","","5308","5315","10.1021/ja0341283","","","0.71073","MoKα","","0.2345","0.0768","","","0.1858","0.2712","","","","","","0.733","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113720","7.6255","0.0012","13.059","0.005","14.3703","0.001","90","","90.79","0.011","90","","1430.9","0.6","213","","213","","","","","","","","see paper","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 Cl3 Cr N S2 -","- C10.6667 H25.3333 Cl4 Cr1.33333 N1.33333 S2.66667 -","- C32 H76 Cl12 Cr4 N4 S8 -","3","0.75","","David S. McGuinness; Peter Wasserscheid; Wilhelm Keim; David Morgan; John T. Dixon; Annette Bollmann; Hulisani Maumela; Fiona Hess; Ulli Englert","First Cr(III)-SNS Complexes and Their Use as Highly Efficient Catalysts for the Trimerization of Ethylene to 1-Hexene","Journal of the American Chemical Society","2003","125","","5272","5273","10.1021/ja034752f","","","0.71073","Mo-Kα","","0.0351","0.0309","","","0.0832","0.0857","","","","","","1.074","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113721","10.4525","0.0006","25.533","0.0016","13.6438","0.0008","90","","92.539","0.002","90","","3637.7","0.4","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-disila-1,4-dihydropentalene","1,4-disila-1,4-dihydropentalene","","- C98 H72 Si2 -","- C98 H72 Si2 -","- C196 H144 Si4 -","2","0.5","","Irina S. Toulokhonova; Thomas C. Stringfellow; Sergei A. Ivanov; Artem Masunov; Robert West","A Disilapentalene and a Stable Diradical from the Reaction of a Dilithiosilole with a Dichlorocyclopropene","Journal of the American Chemical Society","2003","125","","5767","5773","10.1021/ja020763h","","","0.71073","MoKα","","0.1507","0.0588","","","0.1333","0.1681","","","","","","0.923","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113722","21.593","0.003","14.056","0.003","16.127","0.003","90","","130.54","0.005","90","","3719.8","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H25 Cu F12 N2 O4 -","- C41 H25 Cu F12 N2 O4 -","- C164 H100 Cu4 F48 N8 O16 -","4","0.5","","Shijun Zheng; Jie Lan; Saeed I. Khan; Yves Rubin","Synthesis, Characterization, and Coordination Chemistry of the 2-Azaphenalenyl Radical","Journal of the American Chemical Society","2003","125","","5786","5791","10.1021/ja029236o","","","0.71073","MoKα","","0.1711","0.0611","","","0.123","0.153","","","","","","0.888","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113723","8.546","0.001","8.55","0.001","11.194","0.001","67.59","0.01","67.63","0.01","59.99","0.01","636.09","0.14","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- Cs2 H12 Na2 O25 V2 W4 -","- Cs2 Na2 O25 V2 W4 -","- Cs2 Na2 O25 V2 W4 -","1","1","","Wenlin Huang; Louis Todaro; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Six-Coordinate Lindqvist Oxoanions: A Sensitive Probe for the Electronic Environment in Vanadium-Containing Polyoxometalates. Counterions Dictate the 51V Fine Structure Constants in Polyoxometalate Solids","Journal of the American Chemical Society","2003","125","","5928","5938","10.1021/ja029246p","","","","CuKα","","0.052","","","","","0.0684","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113724","30.135","0.007","18.377","0.002","27.279","0.004","90","","112.4","0.02","90","","13967","5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 N3 O19 V2 W4 -","- C48 H108 N3 O19 W6 -","- C384 H864 N24 O152 W48 -","8","1","","Wenlin Huang; Louis Todaro; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Six-Coordinate Lindqvist Oxoanions: A Sensitive Probe for the Electronic Environment in Vanadium-Containing Polyoxometalates. Counterions Dictate the 51V Fine Structure Constants in Polyoxometalate Solids","Journal of the American Chemical Society","2003","125","","5928","5938","10.1021/ja029246p","","","","CuKα","","0.063","","","","","0.072","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113725","30.09","0.006","18.39","0.003","31.967","0.006","90","","128.1","0.02","90","","13920","6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 N3 O19 V W5 -","- C47 N3 O19 W6 -","- C376 N24 O152 W48 -","8","1","","Wenlin Huang; Louis Todaro; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Six-Coordinate Lindqvist Oxoanions: A Sensitive Probe for the Electronic Environment in Vanadium-Containing Polyoxometalates. Counterions Dictate the 51V Fine Structure Constants in Polyoxometalate Solids","Journal of the American Chemical Society","2003","125","","5928","5938","10.1021/ja029246p","","","","CuKα","","0.078","","","","","0.094","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113726","23.707","0.007","7.05","0.004","13.174","0.007","90","","119.69","0.04","90","","1912.8","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 N2 O4 -","- C9 H9 N2 O4 -","- C72 H72 N16 O32 -","8","1","","Ajay Mandal; Donald Hilvert","Charge Optimization Increases the Potency and Selectivity of a Chorismate Mutase Inhibitor","Journal of the American Chemical Society","2003","125","","5598","5599","10.1021/ja029447t","","","0.71069","MoKα","","0.2672","0.2676","","","0.6371","0.6819","","","","","","6.823","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113727","16.02","0.02","37.29","0.05","18.85","0.03","90","","90.33","0.01","90","","11261","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C97 H126 Cl9 O9.5 -","- C97 H123 Cl9 O9.5 -","- C388 H492 Cl36 O38 -","4","1","","Philip R. A. Webber; Paul D. Beer; George Z. Chen; Vitor Felix; Michael G. B. Drew","Bis(calix[4]diquinone) Receptors: Cesium- and Rubidium-Selective Redox-Active Ionophores","Journal of the American Chemical Society","2003","125","","5774","5785","10.1021/ja029740t","","","0.71073","MoKα","","0.1301","0.0984","","","0.3008","0.3167","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113728","13.5","0.02","14.06","0.02","14.01","0.02","116.736","0.01","99.688","0.01","105.312","0.01","2160","5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H106 O16 S4 -","- C90 H106 O16 S4 -","- C90 H106 O16 S4 -","1","0.5","","Philip R. A. Webber; Paul D. Beer; George Z. Chen; Vitor Felix; Michael G. B. Drew","Bis(calix[4]diquinone) Receptors: Cesium- and Rubidium-Selective Redox-Active Ionophores","Journal of the American Chemical Society","2003","125","","5774","5785","10.1021/ja029740t","","","0.71073","MoKα","","0.3841","0.1218","","","0.3081","0.4148","","","","","","0.92","","","","has coordinates,has disorder","178908","2020-10-21","18:00:00",""
"4113729","15.7732","0.0011","8.2243","0.0006","20.9941","0.0015","90","","91.6882","0.0014","90","","2722.2","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl3 N P Rh -","- C26 H40 Cl3 N P Rh -","- C104 H160 Cl12 N4 P4 Rh4 -","4","1","","Mark Stradiotto; Judy Cipot; Robert McDonald","A Catalytically Active, Charge-Neutral Rh(I) Zwitterion Featuring a P,N-Substituted ""Naked"" Indenide Ligand","Journal of the American Chemical Society","2003","125","","5618","5619","10.1021/ja034543v","","","0.71073","MoKα","","0.0359","0.0328","","","0.085","0.0874","","","","","","1.019","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113730","9.4626","0.0005","12.2347","0.0006","12.9606","0.0006","77.6417","0.0009","73.6","0.0009","82.7989","0.0009","1402.69","0.12","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H42 B F4 N O P Rh -","- C28 H42 B F4 N O P Rh -","- C56 H84 B2 F8 N2 O2 P2 Rh2 -","2","1","","Mark Stradiotto; Judy Cipot; Robert McDonald","A Catalytically Active, Charge-Neutral Rh(I) Zwitterion Featuring a P,N-Substituted ""Naked"" Indenide Ligand","Journal of the American Chemical Society","2003","125","","5618","5619","10.1021/ja034543v","","","0.71073","MoKα","","0.0421","0.0355","","","0.0842","0.0871","","","","","","1.047","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113731","9.7054","0.0006","16.985","0.001","14.5743","0.0009","90","","109.392","0.001","90","","2266.2","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 N P Rh -","- C25 H37 N P Rh -","- C100 H148 N4 P4 Rh4 -","4","1","","Mark Stradiotto; Judy Cipot; Robert McDonald","A Catalytically Active, Charge-Neutral Rh(I) Zwitterion Featuring a P,N-Substituted ""Naked"" Indenide Ligand","Journal of the American Chemical Society","2003","125","","5618","5619","10.1021/ja034543v","","","0.71073","MoKα","","0.0396","0.0329","","","0.0825","0.0861","","","","","","1.083","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113732","18.789","0.003","14.249","0.003","24.539","0.004","90","","106.697","0.011","90","","6293","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 B Br2 F20 N2 Sc -","- C66 H54 B Br2 F20 N2 Sc -","- C264 H216 B4 Br8 F80 N8 Sc4 -","4","1","","Paul G. Hayes; Warren E. Piers; Masood Parvez","Cationic Organoscandium β-Diketiminato Chemistry: Arene Exchange Kinetics in Solvent Separated Ion Pairs","Journal of the American Chemical Society","2003","125","","5622","5623","10.1021/ja034680s","","","0.71073","MoKα","","0.1072","0.0533","","","0.1289","0.1608","","","","","","1.014","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113733","18.9115","0.0004","14.0831","0.0003","24.6274","0.0006","90","","107.057","0.0009","90","","6270.6","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H57 B Br F20 N2 Sc -","- C67 H57 B Br F20 N2 Sc -","- C268 H228 B4 Br4 F80 N8 Sc4 -","4","1","","Paul G. Hayes; Warren E. Piers; Masood Parvez","Cationic Organoscandium β-Diketiminato Chemistry: Arene Exchange Kinetics in Solvent Separated Ion Pairs","Journal of the American Chemical Society","2003","125","","5622","5623","10.1021/ja034680s","","","0.71073","MoKα","","0.1042","0.0558","","","0.1303","0.1559","","","","","","1.015","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113734","11.844","0.0006","13.462","0.0007","13.775","0.0008","69.734","0.003","64.789","0.004","72.747","0.004","1835.14","0.18","298","","","","","","","","","","Aida laboratory","4","P -1","-P 1","2","","","","- C50 H44 Fe N2 -","- C50 H44 Fe N2 -","- C100 H88 Fe2 N4 -","2","1","","Takahiro Muraoka; Kazushi Kinbara; Yuka Kobayashi; Takuzo Aida","Light-Driven Open-Close Motion of Chiral Molecular Scissors","Journal of the American Chemical Society","2003","125","","5612","5613","10.1021/ja034994f","","","0.71073","MoKa","","","0.058","","","","0.086","","","","","","0.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113735","5.9175","","17.806","0.0001","15.1418","0.0001","90","","93.1104","0.0006","90","","1593.1","0.014","173.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 O -","- C24 H12 O -","- C96 H48 O4 -","4","1","","Yoshito Tobe; Ichiro Ohki; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi","Generation and Characterization of Highly Strained Dibenzotetrakisdehydro[12]annulene","Journal of the American Chemical Society","2003","125","","5614","5615","10.1021/ja035079x","","","0.7107","MoKα","","","0.0406","","","","0.1003","","","","","","0.76","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113736","10.7535","0.0005","14.7011","0.0007","18.2911","0.0009","90","","106.986","0.001","90","","2765.5","0.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 Li O7 -","- C31 H33 Li O7 -","- C124 H132 Li4 O28 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0474","0.0323","","","0.0781","0.085","","","","","","1.021","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113737","29.155","0.004","37.198","0.004","10.5835","0.0014","90","","90","","90","","11478","3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C65 H64 Na2 O11 -","- C65 H64 Na2 O11 -","- C520 H512 Na16 O88 -","8","0.5","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1331","0.1016","","","0.2087","0.2236","","","","","","1.203","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113738","18.1392","0.0007","18.9515","0.0007","7.4377","0.0003","90","","90","","90","","2556.82","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H31 O5 Rb -","- C32 H31 O5 Rb -","- C128 H124 O20 Rb4 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0378","0.0318","","","0.0676","0.0691","","","","","","0.96","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113739","7.4016","0.0007","19.4783","0.0017","18.4508","0.0016","90","","97.882","0.002","90","","2634.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cs O5 -","- C31 H26 Cs O5 -","- C124 H104 Cs4 O20 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0409","0.0367","","","0.1171","0.1221","","","","","","1.015","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113740","13.0013","0.0006","13.0013","0.0006","18.2767","0.0012","90","","90","","90","","3089.4","0.3","128","2","128","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C64 H95 O9 Rb -","- C60 H84 O8 Rb -","- C120 H168 O16 Rb2 -","2","0.25","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0878","0.0606","","","0.1583","0.1727","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113741","12.0435","0.0008","18.8487","0.0012","22.2687","0.0014","90","","104.437","0.001","90","","4895.5","0.5","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H54 Cl3 Li O9 -","- C52 H54 Cl3 Li O9 -","- C208 H216 Cl12 Li4 O36 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1441","0.081","","","0.2017","0.2339","","","","","","0.993","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113742","15.693","0.002","20.271","0.003","24.076","0.003","90","","90","","90","","7658.9","1.8","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H45 Cs O9 -","- C45 H41 Cs O9 -","- C360 H328 Cs8 O72 -","8","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1982","0.1039","","","0.229","0.2912","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113743","14.6363","0.0012","24.9037","0.0019","15.0403","0.0012","90","","108.012","0.001","90","","5213.5","0.7","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 K2 O12 -","- C54 H65 K2 O12 -","- C216 H260 K8 O48 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0725","0.0506","","","0.1362","0.1494","","","","","","1.04","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113744","14.3918","0.0008","25.2018","0.0015","15.1928","0.0009","90","","107.453","0.001","90","","5256.7","0.5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 O12 Rb2 -","- C54 H65 O12 Rb2 -","- C216 H260 O48 Rb8 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0532","0.036","","","0.0943","0.1002","","","","","","0.925","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113745","14.4144","0.0011","25.3537","0.0019","15.1924","0.0012","90","","107.715","0.001","90","","5288.9","0.7","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 Cl2 Cs2 O12 -","- C56 H50 Cl Cs2 O12 -","- C224 H200 Cl4 Cs8 O48 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1306","0.0996","","","0.3185","0.3379","","","","","","1.315","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113746","14.5123","0.0008","24.7889","0.0013","14.8909","0.0008","90","","107.954","0.001","90","","5096.1","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H72 K O12 Rb -","- C48 H52 K O11 Rb -","- C192 H208 K4 O44 Rb4 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0811","0.0644","","","0.1607","0.1707","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113747","13.668","0.003","22.379","0.005","20.881","0.004","90","","100.354","0.004","90","","6283","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 Li2 O10 -","- C56 H78 Li2 O10 -","- C224 H312 Li8 O40 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1601","0.1052","","","0.2777","0.3187","","","","","","1.088","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113748","14.2184","0.001","11.3149","0.0008","16.9918","0.0012","90","","94.405","0.001","90","","2725.6","0.3","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl3 O4 -","- C30 H27 Cl3 O4 -","- C120 H108 Cl12 O16 -","4","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.102","0.0869","","","0.2477","0.2633","","","","","","1.051","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113749","38.098","0.005","38.098","0.005","9.47","0.0019","90","","90","","90","","13745","4","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C54 H67 N5 Ni O12 -","- C54 H45 N5 Ni O12 -","- C432 H360 N40 Ni8 O96 -","8","1","","Yong Cui; Suk Joong Lee; Wenbin Lin","Interlocked Chiral Nanotubes Assembled from Quintuple Helices","Journal of the American Chemical Society","2003","125","","6014","6015","10.1021/ja029926s","","","0.71073","MoKα","","0.1736","0.1077","","","0.2691","0.3109","","","","","","1.045","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113750","38.031","0.005","38.031","0.005","9.4952","0.0019","90","","90","","90","","13733","4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C58 H72 N4 Ni O15 -","- C58 H36 N4 Ni O14.5 -","- C464 H288 N32 Ni8 O116 -","8","1","","Yong Cui; Suk Joong Lee; Wenbin Lin","Interlocked Chiral Nanotubes Assembled from Quintuple Helices","Journal of the American Chemical Society","2003","125","","6014","6015","10.1021/ja029926s","","","0.71073","MoKα","","0.1726","0.1479","","","0.344","0.3616","","","","","","1.23","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113751","34.981","0.004","34.981","0.004","34.981","0.004","90","","90","","90","","42805","8","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","UCR-8ZnIn-DBA","","","- C208 H520 In48 N26 S97 Zn12 -","- In48 S97 Zn12 -","- In192 S388 Zn48 -","4","0.0833333","","Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng","Templated Assembly of Sulfide Nanoclusters into Cubic-C3N4 Type Framework","Journal of the American Chemical Society","2003","125","","6024","6025","10.1021/ja030103s","","","0.71073","MoKα","","0.1077","0.0611","","","0.1691","0.1874","","","","","","1.126","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113752","35.194","0.008","35.194","0.008","35.194","0.008","90","","90","","90","","43592","17","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","UCR-8CdInS-DBA","","","- C208 H520 Cd12 In48 N26 S97 -","- Cd12 In48 S97 -","- Cd48 In192 S388 -","4","0.0833333","","Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng","Templated Assembly of Sulfide Nanoclusters into Cubic-C3N4 Type Framework","Journal of the American Chemical Society","2003","125","","6024","6025","10.1021/ja030103s","","","0.71073","MoKα","","0.1169","0.0879","","","0.1494","0.1573","","","","","","1.085","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113753","35.002","0.003","35.002","0.003","35.002","0.003","90","","90","","90","","42882","6","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","UCR-8CoInS-DBA","","","- Co12 In48 S97 -","- Co12 In48 S97 -","- Co48 In192 S388 -","4","0.0833333","","Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng","Templated Assembly of Sulfide Nanoclusters into Cubic-C3N4 Type Framework","Journal of the American Chemical Society","2003","125","","6024","6025","10.1021/ja030103s","","","0.71073","MoKα","","0.1067","0.0675","","","0.1923","0.2321","","","","","","1.124","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113754","35.09","0.004","35.09","0.004","35.09","0.004","90","","90","","90","","43207","9","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","UCR-8FeInS-DBA","","","- Fe12 In48 S97 -","- Fe12 In48 S97 -","- Fe48 In192 S388 -","4","0.0833333","","Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng","Templated Assembly of Sulfide Nanoclusters into Cubic-C3N4 Type Framework","Journal of the American Chemical Society","2003","125","","6024","6025","10.1021/ja030103s","","","0.71073","MoKα","","0.1111","0.0641","","","0.1879","0.2194","","","","","","1.063","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113755","13.2046","0.0014","18.5828","0.0018","23.711","0.002","90","","96.537","0.002","90","","5780.3","1","218","2","218","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H51 B Cu F20 N5 O -","- C55 H39 B Cu F20 N5 O -","- C220 H156 B4 Cu4 F80 N20 O4 -","4","1","","Kaliappan Kamaraj; Eunsuk Kim; Benedikt Galliker; Lev N. Zakharov; Arnold L. Rheingold; Andreas D. Zuberbühler; Kenneth D. Karlin","Copper(I) and Copper(II) Complexes Possessing Cross-Linked Imidazole-Phenol Ligands: Structures and Dioxygen Reactivity","Journal of the American Chemical Society","2003","125","","6028","6029","10.1021/ja034263f","","","0.71073","MoKα","","0.0981","0.0721","","","0.1692","0.1827","","","","","","1.095","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113756","9.2032","0.0005","10.0234","0.0006","19.8969","0.0011","88.543","0.001","78.863","0.001","63.471","0.001","1607.38","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H39 Cl2 Cu N4 O10 -","- C27 H31 Cl2 Cu N4 O10 -","- C54 H62 Cl4 Cu2 N8 O20 -","2","1","","Kaliappan Kamaraj; Eunsuk Kim; Benedikt Galliker; Lev N. Zakharov; Arnold L. Rheingold; Andreas D. Zuberbühler; Kenneth D. Karlin","Copper(I) and Copper(II) Complexes Possessing Cross-Linked Imidazole-Phenol Ligands: Structures and Dioxygen Reactivity","Journal of the American Chemical Society","2003","125","","6028","6029","10.1021/ja034263f","","","0.71073","MoKα","","0.0711","0.0567","","","0.1535","0.1633","","","","","","1.046","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113757","16.0283","0.001","17.9861","0.0011","21.9398","0.0013","75.215","0.001","87.183","0.001","77.61","0.001","5973","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C130 H124 B2 Cu2 F40 N10 O2 -","- C110 H76 B2 Cu2 F40 N10 O2 -","- C220 H152 B4 Cu4 F80 N20 O4 -","2","1","","Kaliappan Kamaraj; Eunsuk Kim; Benedikt Galliker; Lev N. Zakharov; Arnold L. Rheingold; Andreas D. Zuberbühler; Kenneth D. Karlin","Copper(I) and Copper(II) Complexes Possessing Cross-Linked Imidazole-Phenol Ligands: Structures and Dioxygen Reactivity","Journal of the American Chemical Society","2003","125","","6028","6029","10.1021/ja034263f","","","0.71073","MoKα","","0.0937","0.0709","","","0.1741","0.1835","","","","","","1.092","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113758","28.432","0.002","13.0358","0.001","17.1962","0.0013","90","","90.972","0.001","90","","6372.6","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H82 Cl2 Cu2 N12 O10 -","- C60 H82 Cl2 Cu2 N12 O10 -","- C240 H328 Cl8 Cu8 N48 O40 -","4","0.5","","Kaliappan Kamaraj; Eunsuk Kim; Benedikt Galliker; Lev N. Zakharov; Arnold L. Rheingold; Andreas D. Zuberbühler; Kenneth D. Karlin","Copper(I) and Copper(II) Complexes Possessing Cross-Linked Imidazole-Phenol Ligands: Structures and Dioxygen Reactivity","Journal of the American Chemical Society","2003","125","","6028","6029","10.1021/ja034263f","","","0.71073","MoKα","","0.0701","0.0549","","","0.1632","0.1785","","","","","","1.19","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113759","9.8536","0.0011","34.001","0.004","14.7391","0.0016","90","","94.502","0.003","90","","4922.8","1","233","2","233","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 B2 Co F15 N6 O2 -","- C45 H46 B2 Co F15 N6 O2 -","- C180 H184 B8 Co4 F60 N24 O8 -","4","1","","Catherine Bergquist; Tauqir Fillebeen; Melissa M. Morlok; Gerard Parkin","Protonation and Reactivity towards Carbon Dioxide of the Mononuclear Tetrahedral Zinc and Cobalt Hydroxide Complexes, [TpBut,Me]ZnOH and [TpBut,Me]CoOH: Comparison of the Reactivity of the Metal Hydroxide Function in Synthetic Analogues of Carbonic Anhydrase","Journal of the American Chemical Society","2003","125","","6189","6199","10.1021/ja034711j","","","0.71073","MoKα","","0.0763","0.0468","","","0.1088","0.1203","","","","","","1.032","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113760","19.096","0.003","14.431","0.002","24.382","0.004","90","","95.035","0.004","90","","6693.1","1.8","238","2","238","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H92 B2 Co2 N12 O3 -","- C61 H92 B2 Co2 N12 O3 -","- C244 H368 B8 Co8 N48 O12 -","4","1","","Catherine Bergquist; Tauqir Fillebeen; Melissa M. Morlok; Gerard Parkin","Protonation and Reactivity towards Carbon Dioxide of the Mononuclear Tetrahedral Zinc and Cobalt Hydroxide Complexes, [TpBut,Me]ZnOH and [TpBut,Me]CoOH: Comparison of the Reactivity of the Metal Hydroxide Function in Synthetic Analogues of Carbonic Anhydrase","Journal of the American Chemical Society","2003","125","","6189","6199","10.1021/ja034711j","","","0.71073","MoKα","","0.3571","0.0766","","","0.0793","0.1046","","","","","","1.008","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113761","9.5712","0.0008","30.523","0.002","9.5763","0.0007","90","","100.91","0.001","90","","2747.1","0.4","238","2","238","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 B Co N6 O -","- C24 H38 B Co N6 O -","- C96 H152 B4 Co4 N24 O4 -","4","1","","Catherine Bergquist; Tauqir Fillebeen; Melissa M. Morlok; Gerard Parkin","Protonation and Reactivity towards Carbon Dioxide of the Mononuclear Tetrahedral Zinc and Cobalt Hydroxide Complexes, [TpBut,Me]ZnOH and [TpBut,Me]CoOH: Comparison of the Reactivity of the Metal Hydroxide Function in Synthetic Analogues of Carbonic Anhydrase","Journal of the American Chemical Society","2003","125","","6189","6199","10.1021/ja034711j","","","0.71073","MoKα","","0.1414","0.057","","","0.1237","0.1536","","","","","","1.023","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113762","9.8138","0.0007","33.873","0.003","14.7045","0.0011","90","","94.476","0.001","90","","4873.2","0.7","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 B2 F15 N6 O2 Zn -","- C45 H46 B2 F15 N6 O2 Zn -","- C180 H184 B8 F60 N24 O8 Zn4 -","4","1","","Catherine Bergquist; Tauqir Fillebeen; Melissa M. Morlok; Gerard Parkin","Protonation and Reactivity towards Carbon Dioxide of the Mononuclear Tetrahedral Zinc and Cobalt Hydroxide Complexes, [TpBut,Me]ZnOH and [TpBut,Me]CoOH: Comparison of the Reactivity of the Metal Hydroxide Function in Synthetic Analogues of Carbonic Anhydrase","Journal of the American Chemical Society","2003","125","","6189","6199","10.1021/ja034711j","","","0.71073","MoKα","","0.0862","0.0499","","","0.1015","0.1141","","","","","","1.032","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113763","21.628","0.004","10.97","0.002","20.463","0.004","90","","112.08","0.03","90","","4499","1.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H35 N P2 Rh -","- C20 H35 N P2 Rh -","- C160 H280 N8 P16 Rh8 -","8","1","","Revital Cohen; Boris Rybtchinski; Mark Gandelman; Haim Rozenberg; Jan M. L. Martin; David Milstein","Metallacarbenes from Diazoalkanes: An Experimental and Computational Study of the Reaction Mechanism","Journal of the American Chemical Society","2003","125","","6532","6546","10.1021/ja028923c","","","0.71073","MoKα","","0.0445","0.0292","","","0.0621","0.0652","","","","","","1.051","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113764","6.1545","0.0006","8.305","0.0009","20.807","0.002","90","","90","","90","","1063.51","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O5 -","- C8 H15 N O5 -","- C32 H60 N4 O20 -","4","1","","Cara L. Jenkins; Lynn E. Bretscher; Ilia A. Guzei; Ronald T. Raines","Effect of 3-Hydroxyproline Residues on Collagen Stability","Journal of the American Chemical Society","2003","125","","6422","6427","10.1021/ja034015j","","","0.71073","MoKα","","0.0401","0.0369","","","0.0953","0.0975","","","","","","1.051","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113765","36.301","0.007","25.675","0.005","23.956","0.005","90","","93.81","0.03","90","","22278","8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53.5 H39 B2 Cl F24 Fe O2 -","- C53.5 H39 B2 Cl F24 Fe O2 -","- C856 H624 B32 Cl16 F384 Fe16 O32 -","16","2","","Deborah L. Coombs; Simon Aldridge; Cameron Jones; David J. Willock","Cationic Terminal Borylenes by Halide Abstraction: Synthesis and Spectroscopic and Structural Characterization of an FeB Double Bond","Journal of the American Chemical Society","2003","125","","6356","6357","10.1021/ja0346936","","","0.71073","MoKα","","0.1679","0.0888","","","0.1974","0.2356","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113766","5.9959","0.0001","8.56","0.0001","19.37","0.002","90","","90","","90","","994.16","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzoyliminopyridinium ylide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Claude Legault; André B. Charette","Complexation Promoted Additions to N-Benzoyliminopyridinium Ylides. A Novel and Highly Regioselective Approach to Polysubstituted Piperidines","Journal of the American Chemical Society","2003","125","","6360","6361","10.1021/ja0348647","","","1.54178","CuKα","","0.0349","0.0316","","0.0877","","0.0861","","","1.047","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113767","8.849","0.003","17.062","0.015","9.952","0.008","90","","90","","90","","1502.6","1.9","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","compound 2e","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","","Claude Legault; André B. Charette","Complexation Promoted Additions to N-Benzoyliminopyridinium Ylides. A Novel and Highly Regioselective Approach to Polysubstituted Piperidines","Journal of the American Chemical Society","2003","125","","6360","6361","10.1021/ja0348647","","","1.54056","CuKα","","0.1144","0.0977","","0.2399","","0.2242","","","0.953","","","1.105","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113768","7.4249","0.0009","7.4721","0.0009","12.1184","0.0015","90","","99.879","0.002","90","","662.35","0.14","213","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 Br O3 -","- C13 H19 Br O3 -","- C26 H38 Br2 O6 -","2","1","","Do Hyun Ryu; E. J. Corey","Triflimide Activation of a Chiral Oxazaborolidine Leads to a More General Catalytic System for Enantioselective Diels-Alder Addition","Journal of the American Chemical Society","2003","125","","6388","6390","10.1021/ja035393r","","","0.71073","MoKα","","0.0441","0.0374","","","0.0901","0.0935","","","","","","1.004","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113769","9.2413","0.0011","6.7008","0.0008","19.746","0.002","90","","100.454","0.002","90","","1202.5","0.2","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 I O3 -","- C12 H13 I O3 -","- C48 H52 I4 O12 -","4","2","","Do Hyun Ryu; E. J. Corey","Triflimide Activation of a Chiral Oxazaborolidine Leads to a More General Catalytic System for Enantioselective Diels-Alder Addition","Journal of the American Chemical Society","2003","125","","6388","6390","10.1021/ja035393r","","","0.71073","MoKα","","0.0356","0.0342","","","0.0895","0.0905","","","","","","1.039","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113770","8.293","0.002","8.293","0.002","39.167","0.014","90","","90","","90","","2693.7","1.3","213","2","213","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C14 H15 I O2 -","- C14 H15 I O2 -","- C112 H120 I8 O16 -","8","1","","Do Hyun Ryu; E. J. Corey","Triflimide Activation of a Chiral Oxazaborolidine Leads to a More General Catalytic System for Enantioselective Diels-Alder Addition","Journal of the American Chemical Society","2003","125","","6388","6390","10.1021/ja035393r","","","0.71073","MoKα","","0.048","0.0458","","","0.1122","0.1134","","","","","","1.181","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113771","8.391","0.005","9.318","0.006","21.46","0.02","86.59","0.02","81.85","0.02","65.66","0.01","1513.3","1.9","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 N3 O5 Ru -","- C32 N3 O5 Ru -","- C64 N6 O10 Ru2 -","2","1","","Katsuaki Kobayashi; Hideki Ohtsu; Tohru Wada; Tatsuhisa Kato; Koji Tanaka","Characterization of a Stable Ruthenium Complex with an Oxyl Radical","Journal of the American Chemical Society","2003","125","","6729","6739","10.1021/ja0211510","","","0.7107","MoKα","","","0.05","","","","0.073","","","","","","1.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113772","10.989","0.002","11.062","0.002","15.058","0.002","91.681","0.004","103.517","0.005","109.252","0.006","1668.9","0.5","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cl2 N3 O12 Ru -","- C29 Cl2 N3 O12 Ru -","- C58 Cl4 N6 O24 Ru2 -","2","1","","Katsuaki Kobayashi; Hideki Ohtsu; Tohru Wada; Tatsuhisa Kato; Koji Tanaka","Characterization of a Stable Ruthenium Complex with an Oxyl Radical","Journal of the American Chemical Society","2003","125","","6729","6739","10.1021/ja0211510","","","0.7107","MoKα","","","0.064","","","","0.074","","","","","","1.605","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113773","24.688","0.002","24.688","0.002","10.0934","0.0009","90","","90","","90","","6151.9","0.9","173.1","","","","","","","","","","","5","I -4","I -4","82","","","","- C29 H31 N3 O6 Ru -","- C29 N3 O6 Ru -","- C232 N24 O48 Ru8 -","8","1","","Katsuaki Kobayashi; Hideki Ohtsu; Tohru Wada; Tatsuhisa Kato; Koji Tanaka","Characterization of a Stable Ruthenium Complex with an Oxyl Radical","Journal of the American Chemical Society","2003","125","","6729","6739","10.1021/ja0211510","","","0.7107","MoKα","","","0.048","","","","0.057","","","","","","0.855","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113774","10.158","0.0006","18.8852","0.0015","10.8306","0.0006","90","","92.105","0.005","90","","2076.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N4 O2 -","- C20 H32 N4 O2 -","- C80 H128 N16 O8 -","4","2","","Jorge Becerril; Michael Bolte; M. Isabel Burguete; Francisco Galindo; Enrique García-España; Santiago V. Luis; Juan F. Miravet","Efficient Macrocyclization of U-Turn Preorganized Peptidomimetics: The Role of Intramolecular H-Bond and Solvophobic Effects","Journal of the American Chemical Society","2003","125","","6677","6686","10.1021/ja0284759","","","0.71073","MoKα","","0.053","0.038","","","0.0659","0.069","","","","","","0.913","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113775","12.8471","0.0007","13.0727","0.0007","13.0765","0.0007","113.78","0.002","95.372","0.002","112.184","0.002","1780.87","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","3PhPy*Cd(NO3)2","Bis(nitrato-O,O)tris(4-phenylpyridine)cadmium(II) bis(acetonitrile solvate)","","- C37 H33 Cd N7 O6 -","- C37 H33 Cd N7 O6 -","- C74 H66 Cd2 N14 O12 -","2","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0256","0.0237","","","0.0652","0.0661","","","","","","1.048","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113776","7.8735","0.0007","8.1441","0.0007","12.9572","0.0011","78.804","0.001","78.681","0.001","68.581","0.001","751.56","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","2{2,4-Bipy*(MeCN)Cd(NO3)2}","Bis[acetonitrile(2,4-Bipyridine)bis(nitrato)]dicadmium(II)","","- C24 H22 Cd2 N10 O12 -","- C24 H22 Cd2 N10 O12 -","- C24 H22 Cd2 N10 O12 -","1","0.5","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0302","0.0251","","","0.0552","0.0615","","","","","","1.033","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113777","8.992","0.004","10.657","0.006","10.684","0.006","77.01","0.06","74.64","0.06","88.29","0.07","961.5","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","2{Cd(NO3)2*i-BBP*MeCN}","2,4'-Bispyridyl(1,4-phenylene) cadmium(II) bis(nitrate) bis(acetonitrile) complex","","- C36 H30 Cd2 N10 O12 -","- C36 H30 Cd2 N10 O12 -","- C36 H30 Cd2 N10 O12 -","1","0.5","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.6942","Synchrotron","","0.0519","0.0414","","","0.0926","0.0962","","","","","","1.078","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113778","8.457","0.0013","9.581","0.002","12.026","0.002","88.117","0.002","88.678","0.003","82.132","0.002","964.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","2{L*Cd(NO3)2*DMF}","2-Pyridyl-4-pyridylacetylene Cadmium(II) bisnitrate complex dimethylformamide solvate","","- C30 H30 Cd2 N10 O14 -","- C30 H30 Cd2 N10 O14 -","- C30 H30 Cd2 N10 O14 -","1","0.5","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0196","0.0185","","","0.0494","0.05","","","","","","1.026","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113779","26.583","0.005","8.143","0.0016","21.27","0.004","90","","117.11","0.03","90","","4098.4","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd(NO3)2*Pyyne","1(4-Pyridyl)-4(2-pyridylethynyl)benzene Cadmium bisnitrate complex acetonitrile solvate","","- C20 H15 Cd N5 O6 -","- C20 H15 Cd N5 O6 -","- C160 H120 Cd8 N40 O48 -","8","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.043","0.0317","","","0.0868","0.0928","","","","","","1.061","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113780","8.3796","0.0009","8.4689","0.0009","12.8983","0.0014","83.743","0.002","76.014","0.002","85.366","0.002","881.51","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Cd(NO3)2*Bipyph","1-(4-Pyridyl)-4-(2-pyridylethynyl)benzene Cadmium(II) bisnitrate complex","","- C18 H12 Cd N4 O6 -","- C18 H12 Cd N4 O6 -","- C36 H24 Cd2 N8 O12 -","2","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0486","0.0324","","","0.0658","0.0892","","","","","","0.991","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113781","13.277","0.0008","13.2606","0.0008","14.324","0.0008","90","","114.657","0.001","90","","2292","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bipy*Cd(NO3)2*i-PrOH","1-(4-Pyridyl)-4(2-pyridylethynyl)benzene cadmium(II) bisnitrate complex isopropanol solvate","","- C20.8 H19.6 Cd N4 O7 -","- C20.8 H18.4 Cd N4 O7 -","- C83.2 H73.6 Cd4 N16 O28 -","4","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0562","0.0373","","","0.0966","0.1047","","","","","","1.036","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113782","8.5354","0.0008","15.0114","0.0014","14.7187","0.0013","90","","99.674","0.002","90","","1859.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bipyph*Cd(NO3)2","1-(2-Pyridyl)-4-(4-pyridylethynyl)benzene cadmium(II) bisnitrate complex","","- C18 H12 Cd N4 O6 -","- C18 H12 Cd N4 O6 -","- C72 H48 Cd4 N16 O24 -","4","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.71073","MoKα","","0.0596","0.0297","","","0.0455","0.0508","","","","","","0.856","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113783","38.754","0.008","10.189","0.002","8.479","0.0017","90","","102.13","0.03","90","","3273.3","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","2{Cd(NO3)2*2Pyyne*H2O}","bis{1-(4-ethynylpyridine)-4-(2-pyridyl)phenylene}cadmium(II) bisnitrate monohydrate","","- C36 H26 Cd N6 O7 -","- C36 H26 Cd N6 O7 -","- C144 H104 Cd4 N24 O28 -","4","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.6892","synchrotron","","0.0525","0.0414","","","0.1073","0.1104","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113784","15.384","0.002","15.384","0.002","25.386","0.005","90","","90","","90","","6008","1.6","203","2","203","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C0.5 H34 K10 O16.5 Se17 Sn4 Zn4 -","- C0.5 K10 O16.5 Se17 Sn4 Zn4 -","- C2 K40 O66 Se68 Sn16 Zn16 -","4","0.5","","Stefanie Dehnen; Michael K. Brandmayer","Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn)","Journal of the American Chemical Society","2003","125","","6618","6619","10.1021/ja029601b","","","0.56087","AgKα","","0.0664","0.054","","","0.1104","0.1157","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113785","15.515","0.002","15.515","0.002","25.44","0.005","90","","90","","90","","6123.8","1.6","203","2","203","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C0.5 H34 K10 Mn4 O16.5 Se17 Sn4 -","- C0.5 K10 Mn4 O16.5 Se17 Sn4 -","- C2 K40 Mn16 O66 Se68 Sn16 -","4","0.5","","Stefanie Dehnen; Michael K. Brandmayer","Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn)","Journal of the American Chemical Society","2003","125","","6618","6619","10.1021/ja029601b","","","0.56087","AgKα","","0.0868","0.0614","","","0.1493","0.1617","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113786","16.8292","0.0003","11.1616","0.0002","18.6043","0.0003","90","","101.781","0.0011","90","","3421.03","0.1","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C35 H30 Cl4 N2 O2 P2 Pt -","- C35 H30 Cl4 N2 O2 P2 Pt -","- C140 H120 Cl16 N8 O8 P8 Pt4 -","4","1","","Bernhard Breit; Wolfgang Seiche","Hydrogen Bonding as a Construction Element for Bidentate Donor Ligands in Homogeneous Catalysis: Regioselective Hydroformylation of Terminal Alkenes","Journal of the American Chemical Society","2003","125","","6608","6609","10.1021/ja0348997","","","0.71073","MoKα","","0.025","0.0205","","","0.0478","0.0496","","","","","","1.059","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113787","10.248","0.0015","6.4267","0.0009","14.835","0.002","90","","95.702","0.003","90","","972.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Ag2 N4 O2 -","- C24 H14 Ag2 N4 O2 -","- C48 H28 Ag4 N8 O4 -","2","0.5","","Shao-Liang Zheng; Jie-Peng Zhang; Wing-Tak Wong; Xiao-Ming Chen","A Novel, Highly Electrical Conducting, Single-Component Molecular Material: [Ag2(ophen)2] (Hophen = 1H-[1,10]phenanthrolin-2-one)","Journal of the American Chemical Society","2003","125","","6882","6883","10.1021/ja029097a","","","0.71073","MoKα","","0.0454","0.032","","","0.0827","0.0874","","","","","","0.991","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113788","14.661","0.0016","14.9087","0.0016","23.734","0.003","107.173","0.002","105.122","0.002","93.121","0.003","4735.9","0.9","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H115 N3 O5 -","- C117 H115 N3 O5 -","- C234 H230 N6 O10 -","2","1","","Christian Grave; Dieter Lentz; Andreas Schäfer; Paolo Samorì; Jürgen P. Rabe; Peter Franke; A. Dieter Schlüter","Shape-Persistant Macrocycles with Terpyridine Units: Synthesis, Characterization, and Structure in the Crystal","Journal of the American Chemical Society","2003","125","","6907","6918","10.1021/ja034029p","","","0.71073","MoKα","","0.1617","0.0839","","","0.2465","0.2869","","","","","","1.072","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113789","9.287","0.003","22.591","0.007","27.042","0.008","101.705","0.007","93.268","0.008","99.724","0.007","5451","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C135 H149 N3 O4 -","- C135 H149 N3 O4 -","- C270 H298 N6 O8 -","2","1","","Christian Grave; Dieter Lentz; Andreas Schäfer; Paolo Samorì; Jürgen P. Rabe; Peter Franke; A. Dieter Schlüter","Shape-Persistant Macrocycles with Terpyridine Units: Synthesis, Characterization, and Structure in the Crystal","Journal of the American Chemical Society","2003","125","","6907","6918","10.1021/ja034029p","","","0.71073","MoKα","","0.262","0.1128","","","0.2709","0.3174","","","","","","1.197","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113790","14.493","0.004","17.862","0.005","20.588","0.006","97.097","0.007","100.914","0.007","112.715","0.005","4712","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H121 N3 O5 -","- C117 H121 N3 O5 -","- C234 H242 N6 O10 -","2","1","","Christian Grave; Dieter Lentz; Andreas Schäfer; Paolo Samorì; Jürgen P. Rabe; Peter Franke; A. Dieter Schlüter","Shape-Persistant Macrocycles with Terpyridine Units: Synthesis, Characterization, and Structure in the Crystal","Journal of the American Chemical Society","2003","125","","6907","6918","10.1021/ja034029p","","","0.71073","MoKα","","0.3139","0.1274","","","0.2463","0.2748","","","","","","1.428","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113791","8.9947","0.0002","11.7801","0.0002","10.2739","0.0002","90","","105.993","0.001","90","","1046.47","0.04","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H34 N2 O5 Pd -","- C19 H34 N2 O5 Pd -","- C38 H68 N4 O10 Pd2 -","2","1","","Jaime A. Mueller; Matthew S. Sigman","Mechanistic Investigations of the Palladium-Catalyzed Aerobic Oxidative Kinetic Resolution of Secondary Alcohols Using (-)-Sparteine","Journal of the American Chemical Society","2003","125","","7005","7013","10.1021/ja034262n","","","0.71073","MoKα","","0.0213","0.0199","","","0.0458","0.0465","","","","","","1.073","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113792","10.8659","0.001","14.784","0.002","16.87","0.003","82.746","0.012","82.149","0.01","75.847","0.012","2590.9","0.6","150","","150","","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H68 N16 O14 -","- C44 H68 N16 O14 -","- C88 H136 N32 O28 -","2","1","","A. Tessa ten Cate; Patricia Y. W. Dankers; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E. W. Meijer","Enantioselective Cyclization of Racemic Supramolecular Polymers","Journal of the American Chemical Society","2003","125","","6860","6861","10.1021/ja034273g","","x-ray","0.71073","MoKα","","0.1068","0.0501","","","0.1146","0.1333","","","","","","1.038","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113793","9.997","0.002","6.997","0.001","10.332","0.002","90","","90","","90","","722.7","0.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C3 H10 N2 Te Zn -","- C3 H10 N2 Te Zn -","- C12 H40 N8 Te4 Zn4 -","4","0.5","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","","","0.71073","MoKα","","0.0968","0.0527","","","0.1145","0.1253","","","","","","1.172","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113794","4.2222","0.0006","6.9057","0.0009","7.3031","0.001","90","","98.928","0.003","90","","210.36","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H4 N2 Te Zn -","- H4 N2 Te Zn -","- H8 N4 Te2 Zn2 -","2","1","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","","","0.71073","MoKα","","0.0473","0.0461","","","0.1105","0.111","","","","","","1.081","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113795","7.179","0.001","6.946","0.001","18.913","0.004","90","","90","","90","","943.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H5 N Te Zn -","- C H5 N Te Zn -","- C8 H40 N8 Te8 Zn8 -","8","1","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","","","0.71073","MoKα","","0.0585","0.0447","","","0.1141","0.1221","","","","","","1.07","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113796","7.09494","0.00033","6.79535","0.00032","16.7212","0.0008","90","","90","","90","","806.17","0.07","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H4 Cd N Se -","- C H4 Cd N Se -","- C8 H32 Cd8 N8 Se8 -","8","1","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.09648","","0.94","","","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113797","20.666","0.0012","6.89","0.0004","6.7513","0.0004","90","","90","","90","","961.31","0.1","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Cd2 N2 Se2 -","- C3 H10 Cd2 N2 Se2 -","- C12 H40 Cd8 N8 Se8 -","4","0.5","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07153","","1.25","","","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113798","12.2272","0.0007","12.2272","0.0007","15.8762","0.0017","90","","90","","120","","2055.6","0.3","193","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C12.5 H33 N3 O10 P -","- C12.5 H25.485 N3 O10 P -","- C50 H101.94 N12 O40 P4 -","4","0.666667","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0738","0.0529","","","0.1191","0.128","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113799","12.2122","0.0004","12.2122","0.0004","15.8761","0.0011","90","","90","","120","","2050.51","0.17","193","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C12.5 H33 N3 O10 P -","- C12.5 H25.485 N3 O10 P -","- C50 H101.94 N12 O40 P4 -","4","0.666667","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0723","0.0519","","","0.1138","0.122","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113800","12.3133","0.0003","12.3133","0.0003","16.0239","0.0009","90","","90","","120","","2104.01","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C12.5 H33 N3 O10 P -","- C12.5 H25.485 N3 O10 P -","- C50 H101.94 N12 O40 P4 -","4","0.666667","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0653","0.0415","","","0.1007","0.1166","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113801","12.2838","0.0007","12.2838","0.0007","15.7572","0.0014","90","","90","","120","","2059.1","0.2","193","2","193","2","","","","","","","","5","P 63","P 6c","173","","","","- C12 H32 N3 O10 P -","- C8 H16 N2 O6.66667 P0.666667 -","- C48 H96 N12 O40 P4 -","6","1","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0727","0.0485","","","0.1274","0.1401","","","","","","1.066","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113802","8.7931","0.0018","7.4466","0.0015","10.799","0.002","90","","104.106","0.003","90","","685.8","0.2","183","2","183","2","","","","","","","","4","P 1 n 1","P -2yac","7","endo-phenyl-pyrrole","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C34 H28 N4 O4 -","2","1","","Dongwhan Lee; Timothy M. Swager","Defining Space around Conducting Polymers: Reversible Protonic Doping of a Canopied Polypyrrole","Journal of the American Chemical Society","2003","125","","6870","6871","10.1021/ja034894+","","","0.71073","MoKα","","0.0544","0.0519","","","0.1201","0.1214","","","","","","1.184","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113803","8.9121","0.0017","21.702","0.004","11.26","0.002","90","","105.61","0.003","90","","2097.5","0.7","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cp*Mo(NO)(CH2CMe3)2 (1)","Molybdenum,bis(2,2-dimethylpropyl)nitrosyl [(5-.eta.)pentamethylcyclopentadienyl]","","- C20 H37 Mo N O -","- C20 H37 Mo N O -","- C80 H148 Mo4 N4 O4 -","4","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau","Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum","Journal of the American Chemical Society","2003","125","","7035","7048","10.1021/ja0349094","","","0.71073","MoKα","","0.0593","0.0444","","","0.0978","0.1038","","","","","","1.049","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113804","8.372","0.004","8.944","0.005","14.795","0.008","81.399","0.009","79.463","0.008","69.442","0.008","1015.4","0.9","160","2","160","2","","","","","","","","5","P -1","-P 1","2","Cp*Mo(NO)(=CHCMe3)(NC5H5) (8)","Molybdenum,(2,2-dimethylpropylidene)nitrosyl [(5-.eta.)pentamethylcyclopentadienyl](pyridine)","","- C20 H30 Mo N2 O -","- C20 H30 Mo N2 O -","- C40 H60 Mo2 N4 O2 -","2","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau","Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum","Journal of the American Chemical Society","2003","125","","7035","7048","10.1021/ja0349094","","","0.71073","MoKα","","0.0518","0.0473","","","0.1191","0.123","","","","","","1.067","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113805","10.2911","0.0005","14.6191","0.0006","14.4274","0.0008","90","","108.209","0.002","90","","2061.86","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*Mo(NO)(CH2CMe3)(C6H5) (6)","Molybdenum,(2,2-dimethylpropyl)nitrosyl [(5-.eta.)pentamethylcyclopentadienyl]phenyl","","- C21 H31 Mo N O -","- C21 H31 Mo N O -","- C84 H124 Mo4 N4 O4 -","4","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau","Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum","Journal of the American Chemical Society","2003","125","","7035","7048","10.1021/ja0349094","","","0.71069","MoKα","","0.0334","0.0285","","","0.0762","0.078","","","","","","1.06","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113806","13.19","0.0011","11.8175","0.0007","15.1108","0.0013","90","","101.828","0.004","90","","2305.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cp*Mo(NO)(CH2CMe3)(h2-CH2C6H3-3,5-Me2) (3)","Molybdenum, [(3,5-dimethylphenyl)methyl](2,2-dimethylpropyl)nitrosyl [(5-.eta.)pentamethylcyclopentadienyl]","","- C24 H37 Mo N O -","- C24 H37 Mo N O -","- C96 H148 Mo4 N4 O4 -","4","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau","Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum","Journal of the American Chemical Society","2003","125","","7035","7048","10.1021/ja0349094","","","0.71073","MoKα","","0.0621","0.0413","","","0.0943","0.1018","","","","","","1.059","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113807","7.8177","0.0004","14.3141","0.0009","20.5603","0.001","90","","90","","90","","2300.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cp*Mo(NO)(h2-C6H4)(NC5H5).benzene (9)","Molybdenum,[(5,6-.eta.)-1,3-cyclohexadien-5-yne]nitrosyl [(5-.eta.)pentamethylcyclopentadienyl](pyridine)","","- C27 H30 Mo N2 O -","- C27 H30 Mo N2 O -","- C108 H120 Mo4 N8 O4 -","4","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau","Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum","Journal of the American Chemical Society","2003","125","","7035","7048","10.1021/ja0349094","","","0.71073","MoKα","","0.05","0.0327","","","0.0618","0.0662","","","","","","0.856","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113808","10.9346","0.0004","11.0747","0.0004","11.5478","0.0004","64.377","0.002","74.543","0.002","89.209","0.002","1206.97","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H66 F6 N6 O4 -","- C52 H66 F6 N6 O4 -","- C52 H66 F6 N6 O4 -","1","0.5","","Thomas Köhler; Daniel Seidel; Vincent Lynch; Forrest O. Arp; Zhongping Ou; Karl M. Kadish; Jonathan L. Sessler","Formation and Properties of Cyclo[6]pyrrole and Cyclo[7]pyrrole","Journal of the American Chemical Society","2003","125","","6872","6873","10.1021/ja035089y","","","0.71073","MoKα","","0.0747","0.0506","","","0.1089","0.121","","","","","","1.039","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113809","10.743","0.0004","11.5435","0.0005","26.1232","0.0012","99.666","0.002","98.104","0.002","104.904","0.002","3027.9","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H91 Cl2 N7 O -","- C68 H91 Cl2 N7 O -","- C136 H182 Cl4 N14 O2 -","2","1","","Thomas Köhler; Daniel Seidel; Vincent Lynch; Forrest O. Arp; Zhongping Ou; Karl M. Kadish; Jonathan L. Sessler","Formation and Properties of Cyclo[6]pyrrole and Cyclo[7]pyrrole","Journal of the American Chemical Society","2003","125","","6872","6873","10.1021/ja035089y","","","0.71073","MoKα","","0.2175","0.0787","","","0.1499","0.198","","","","","","1.004","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113810","6.489","0.003","37.255","0.002","8.673","0.002","90","","101.67","0.03","90","","2053.3","1.1","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H56 N6 O10 -","- C43 H50 N6 O10 -","- C86 H100 N12 O20 -","2","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","1.5418","CuKα","","","0.046","","","","0.0608","","","","","","1.662","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113811","29.537","0.006","13.325","0.001","12.187","0.002","90","","93.68","0.01","90","","4786.7","1.3","296.2","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H58 Cl3 N6 O10.5 -","- C44 H56 Cl3 N6 O10.5 -","- C176 H224 Cl12 N24 O42 -","4","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","1.5418","CuKα","","","0.066","","","","0.0639","","","","","","1.221","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113812","17.471","0.003","33.76","0.01","6.726","0.001","90","","90","","90","","3967.1","1.5","113.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 N6 O9 -","- C41 H50 N6 O10 -","- C164 H200 N24 O40 -","4","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","0.7107","MoKα","","","0.0613","","","","0.066","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113813","16.14","0.02","23.85","0.03","12.562","0.005","90","","90","","90","","4836","9","173.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H74 N6 O25 -","- C42 H47 N6 O20 -","- C168 H188 N24 O80 -","4","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","0.7107","MoKα","","","0.138","","","","0.1274","","","","","","3.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113814","9.5568","0.0002","11.0858","0.0003","20.645","0.0006","76.832","0.001","77.413","0.001","84.17","0.001","2075.43","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H62 Cl N5 O4 -","- C46 H62 Cl N5 O4 -","- C92 H124 Cl2 N10 O8 -","2","1","","Chang-Hee Lee; Hee-Kyung Na; Dae-Wi Yoon; Dong-Hoon Won; Won-Seob Cho; Vincent M. Lynch; Sergey V. Shevchuk; Jonathan L. Sessler","Single Side Strapping: A New Approach to Fine Tuning the Anion Recognition Properties of Calix[4]pyrroles","Journal of the American Chemical Society","2003","125","","7301","7306","10.1021/ja029175u","","","0.71073","MoKα","","0.1908","0.0857","","","0.1219","0.1559","","","","","","0.994","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113815","16.779","0.003","17.304","0.004","8.443","0.004","90","","90","","90","","2451.4","1.4","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F6 O2 S2 -","- C26 H20 F6 O2 S2 -","- C104 H80 F24 O8 S8 -","4","1","","Yasushi Yokoyama; Hidenori Shiraishi; Yutaka Tani; Yayoi Yokoyama; Yoshitaka Yamaguchi","Diastereoselective Photochromism of a Bisbenzothienylethene Governed by Steric as Well as Electronic Interactions","Journal of the American Chemical Society","2003","125","","7194","7195","10.1021/ja029535d","","","0.7107","MoKα","","","0.044","","","","0.136","","","","","","1.278","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113816","11.4069","0.0006","21.2755","0.0013","13.3005","0.0006","90","","104.64","0.002","90","","3123.1","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H72 N6 O7 P Tb -","- C66 H72 N6 O7 P Tb -","- C132 H144 N12 O14 P2 Tb2 -","2","1","","Hao Xin; Fu You Li; Mei Shi; Zu Qiang Bian; Chun Hui Huang","Efficient Electroluminescence from a New Terbium Complex","Journal of the American Chemical Society","2003","125","","7166","7167","10.1021/ja034087a","","","0.71073","MoKα","","0.09","0.0397","","","0.0668","0.0732","","","","","","0.698","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113817","13.9526","0.0005","16.2725","0.0005","16.4417","0.0006","90.233","0.001","94.48","0.001","97.403","0.001","3690.2","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H108 As8 Cr N6 Na3 O18 -","- C54 H108 As8 Cr N6 Na3 O18 -","- C108 H216 As16 Cr2 N12 Na6 O36 -","2","1","","Banu Kesanli; James Fettinger; Bryan Eichhorn","Controlled Aggregation of ME8n- Binary Anions (M = Cr, Mo; E = As, Sb) into One-Dimensional Arrays: Structures, Magnetism and Spectroscopy","Journal of the American Chemical Society","2003","125","","7367","7376","10.1021/ja034207e","","","0.71073","MoKα","","0.0533","0.0346","","","0.0883","0.0947","","","","","","1.031","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113818","25.8992","0.001","25.3671","0.001","38.125","0.002","90","","92.409","0.001","90","","25025.5","1.9","193","2","193","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C162 H324 K9 Mo3 N18 O54 Sb24 -","- C162 H324 K9 Mo3 N18 O54 Sb24 -","- C648 H1296 K36 Mo12 N72 O216 Sb96 -","4","1","","Banu Kesanli; James Fettinger; Bryan Eichhorn","Controlled Aggregation of ME8n- Binary Anions (M = Cr, Mo; E = As, Sb) into One-Dimensional Arrays: Structures, Magnetism and Spectroscopy","Journal of the American Chemical Society","2003","125","","7367","7376","10.1021/ja034207e","","","0.71073","MoKα","","0.0951","0.0548","","","0.1285","0.1443","","","","","","0.987","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113819","17.5088","0.0013","17.0833","0.0012","40.472","0.003","90","","90","","90","","12105.5","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H18 F9 Ir N6 -","- C30 H18 F9 Ir N6 -","- C480 H288 F144 Ir16 N96 -","16","2","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0731","0.0495","","","0.1143","0.1269","","","","","","1.037","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113820","23.125","0.011","23.125","0.011","8.854","0.008","90","","90","","90","","4735","5","273","2","273","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C27 H21 Ir N6 -","- C27 H21 Ir N6 -","- C216 H168 Ir8 N48 -","8","1","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0477","0.0366","","","0.0644","0.0675","","","","","","1.054","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113821","11.5923","0.001","33.878","0.003","15.5667","0.0014","90","","103.03","0.002","90","","5956","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 F9 Ir N6 -","- C30 H18 F9 Ir N6 -","- C240 H144 F72 Ir8 N48 -","8","2","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0591","0.0465","","","0.1081","0.1147","","","","","","1.013","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113822","15.2907","0.0013","14.8863","0.0011","10.1503","0.0009","90","","97.607","0.005","90","","2290.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Ir N6 -","- C27 Ir N6 -","- C108 Ir4 N24 -","4","1","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0674","0.0451","","","0.1118","0.1212","","","","","","1","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113823","15.113","0.002","9.9696","0.0015","21.093","0.003","90","","91.383","0.003","90","","3177.2","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Cl2 Ir N3 -","- C37 H32 Cl2 Ir N3 -","- C148 H128 Cl8 Ir4 N12 -","4","1","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0686","0.0521","","","0.1344","0.1441","","","","","","1.066","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113824","10.4024","0.0012","17.796","0.002","31.256","0.004","90","","90","","90","","5786.1","1.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-phenyl-1,2:3,4-bis(bicyclo[2.2.2]octeno)cyclopentadienyllithium-(THF)3","","","- C35 H49 Li O3 -","- C35 H49 Li O3 -","- C280 H392 Li8 O24 -","8","1","","Tohru Nishinaga; Daisuke Yamazaki; Helmut Stahr; Atsushi Wakamiya; Koichi Komatsu","Synthesis, Structure, and Dynamic Behavior of Cyclopentadienyl-Lithium, -Sodium, and -Potassium Annelated with Bicyclo[2.2.2]octene Units: A Systematic Study on Site Exchange of Alkali Metals on a Cyclopentadienyl Ring in Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","7324","7335","10.1021/ja0346431","","","0.71073","MoKα","","0.1034","0.0754","","","0.2012","0.2161","","","","","","1.053","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113825","9.6261","0.0009","10.5597","0.001","16.1138","0.0015","76.72","0.002","88.816","0.002","69.497","0.002","1489.9","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","5-phenyl-1,2:3,4-bis(bicyclo[2.2.2]octeno)cyclopentadienylsodium-(THF)3","","","- C35 H49 Na O3 -","- C35 H49 Na O3 -","- C70 H98 Na2 O6 -","2","1","","Tohru Nishinaga; Daisuke Yamazaki; Helmut Stahr; Atsushi Wakamiya; Koichi Komatsu","Synthesis, Structure, and Dynamic Behavior of Cyclopentadienyl-Lithium, -Sodium, and -Potassium Annelated with Bicyclo[2.2.2]octene Units: A Systematic Study on Site Exchange of Alkali Metals on a Cyclopentadienyl Ring in Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","7324","7335","10.1021/ja0346431","","","0.71073","MoKα","","0.0688","0.0513","","","0.1294","0.1362","","","","","","1.048","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113826","9.6126","0.0011","10.237","0.0012","16.5405","0.0019","98.989","0.002","102.266","0.002","107.44","0.002","1474.6","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","5-t-butyl-1,2:3,4-bis(bicyclo[2.2.2]octeno)cyclopentadienylsodium-(THF)3","","","- C33 H53 Na O3 -","- C33 H53 Na O3 -","- C66 H106 Na2 O6 -","2","1","","Tohru Nishinaga; Daisuke Yamazaki; Helmut Stahr; Atsushi Wakamiya; Koichi Komatsu","Synthesis, Structure, and Dynamic Behavior of Cyclopentadienyl-Lithium, -Sodium, and -Potassium Annelated with Bicyclo[2.2.2]octene Units: A Systematic Study on Site Exchange of Alkali Metals on a Cyclopentadienyl Ring in Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","7324","7335","10.1021/ja0346431","","","0.71073","MoKα","","0.0535","0.045","","","0.1132","0.1181","","","","","","1.026","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113827","6.214","0.003","11.624","0.005","13.218","0.008","113.393","0.01","100.585","0.011","98.552","0.007","835","0.7","100","2","100","2","","","","","","","","2","P -1","-P 1","2","5-phenyl-1,2:3,4-bis(bicyclo[2.2.2]octeno)cyclopentadiene","","","- C23 H26 -","- C23 H26 -","- C46 H52 -","2","1","","Tohru Nishinaga; Daisuke Yamazaki; Helmut Stahr; Atsushi Wakamiya; Koichi Komatsu","Synthesis, Structure, and Dynamic Behavior of Cyclopentadienyl-Lithium, -Sodium, and -Potassium Annelated with Bicyclo[2.2.2]octene Units: A Systematic Study on Site Exchange of Alkali Metals on a Cyclopentadienyl Ring in Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","7324","7335","10.1021/ja0346431","","","0.71073","MoKα","","0.0817","0.0548","","","0.1342","0.1452","","","","","","0.965","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113828","34.419","0.009","15.989","0.003","26.712","0.004","90","0.012","108.475","0.018","90","0.017","13943","5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C72 H105 Cu2 F12 N10 O30.5 Pt4 S12 -","- C72 H96 Cu2 F12 N10 O30.5 Pt4 S12 -","- C288 H384 Cu8 F48 N40 O122 Pt16 S48 -","4","0.5","","Ki-Hyun Kim; Rita Song; Kwan Mook Kim","A Metal-Centered Hydrophobic Pocket Recognizing Pyridine over Piperidine","Journal of the American Chemical Society","2003","125","","7170","7171","10.1021/ja035126l","","","0.71073","MoKα","","0.2214","0.0786","","","0.1724","0.2192","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113829","12.93","0.001","20.888","0.002","17.632","0.002","90","","108.45","0.01","90","","4517.3","0.8","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H55 B Cl4 N4 W -","- C49 H55 B Cl4 N4 W -","- C196 H220 B4 Cl16 N16 W4 -","4","1","","Christian Cremer; Peter Burger","Magnetic Properties of Cationic Tungsten(IV) Half Sandwich Compounds: Experimental and Theoretical Study of a Solvent and Ligand Stabilized Singlet Ground State Leading to a Thermally Induced Singlet-Triplet Spin State Interconversion","Journal of the American Chemical Society","2003","125","","7664","7677","10.1021/ja028313c","","","0.71073","MoKα","","0.0363","0.0266","","0.0618","0.0609","","","","1.046","1.185","1.185","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113830","8.369","0.002","10.952","0.002","13.977","0.003","102.84","0.03","101.01","0.03","101.6","0.03","1185.7","0.5","183","2","183","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C24 H32 Cl2 N2 O0.5 W -","- C24 H32 Cl2 N2 O0.5 W -","- C48 H64 Cl4 N4 O W2 -","2","1","","Christian Cremer; Peter Burger","Magnetic Properties of Cationic Tungsten(IV) Half Sandwich Compounds: Experimental and Theoretical Study of a Solvent and Ligand Stabilized Singlet Ground State Leading to a Thermally Induced Singlet-Triplet Spin State Interconversion","Journal of the American Chemical Society","2003","125","","7664","7677","10.1021/ja028313c","","","0.71073","MoKα","","0.0381","0.0318","","0.0814","0.0776","","","","1.003","1.042","1.042","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113831","10.612","0.002","15.229","0.003","20.949","0.004","90","","90","","90","","3385.6","1.1","299.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H43 N3 O7 S -","- C36 H41 N3 O7 S -","- C144 H164 N12 O28 S4 -","4","1","","Toshiaki Nagata; Masako Nakagawa; Atsushi Nishida","The First Total Synthesis of Nakadomarin A","Journal of the American Chemical Society","2003","125","","7484","7485","10.1021/ja034464j","","","0.7107","MoKα","","","0.0525","","","","0.0586","","","","","","2.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113832","10.78","0.002","12.27","0.002","18.705","0.004","90","","90","","90","","2474.1","0.8","173.2","","173.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O4 S -","- C28 H27 N2 O4 S -","- C112 H108 N8 O16 S4 -","4","1","","Toshiaki Nagata; Masako Nakagawa; Atsushi Nishida","The First Total Synthesis of Nakadomarin A","Journal of the American Chemical Society","2003","125","","7484","7485","10.1021/ja034464j","","","0.7107","MoKα","","0.062","0.062","","0.082","","0.082","","","1.802","","","1.8","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113833","12.5615","0.0015","17.893","0.003","21.802","0.003","109.107","0.006","90.28","0.006","110.262","0.005","4305","1.1","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Bert*SnSnPh2Bert*.2C6H14","","","- C96 H136 Sn2 -","- C96 H136 Sn2 -","- C192 H272 Sn4 -","2","1","","Andrew D. Phillips; Shirley Hino; Philip P. Power","A Reversible Valence Equilibrium in a Heavier Main Group Compound","Journal of the American Chemical Society","2003","125","","7520","7521","10.1021/ja0347843","","","0.71073","MoKα","","0.0443","0.0303","","","0.0676","0.0744","","","","","","1.004","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113834","12.5492","0.0005","18.255","0.0008","16.4982","0.0007","90","","105.488","0.002","90","","3642.3","0.3","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bert*SnPh","","","- C42 H54 Sn -","- C42 H54 Sn -","- C168 H216 Sn4 -","4","1","","Andrew D. Phillips; Shirley Hino; Philip P. Power","A Reversible Valence Equilibrium in a Heavier Main Group Compound","Journal of the American Chemical Society","2003","125","","7520","7521","10.1021/ja0347843","","","0.71073","MoKα","","0.0511","0.0324","","","0.0711","0.0795","","","","","","1.025","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113835","22.37","0.005","20.764","0.005","23.028","0.006","90","","98.579","0.005","90","","10577","4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C125.48 H134.54 Cl2 Cr2 N6 O4 -","- C125.49 H134.56 Cl2 Cr2 N6 O4 -","- C501.96 H538.24 Cl8 Cr8 N24 O16 -","4","1","","Donald J. Darensbourg; Jason C. Yarbrough; Cesar Ortiz; Cindy C. Fang","Comparative Kinetic Studies of the Copolymerization of Cyclohexene Oxide and Propylene Oxide with Carbon Dioxide in the Presence of Chromium Salen Derivatives. In Situ FTIR Measurements of Copolymer vs Cyclic Carbonate Production","Journal of the American Chemical Society","2003","125","","7586","7591","10.1021/ja034863e","","","0.71073","MoKα","","0.4369","0.0762","","","0.1442","0.231","","","","","","0.661","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113836","9.4865","0.0005","16.5147","0.0008","12.2829","0.0006","90","","106.567","0.002","90","","1844.44","0.16","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H62 O3 Si6 Sr -","- C24 H62 O3 Si6 Sr -","- C48 H124 O6 Si12 Sr2 -","2","1","","Keith Izod; Stephen T. Liddle; William Clegg","Alkyl Complexes of Strontium and Barium: Synthesis and Structural Characterization of {(Me3Si)2(MeOMe2Si)C}2Sr(THF) and {(Me3Si)2(MeOMe2Si)C}2Ba(MeOCH2CH2OMe)","Journal of the American Chemical Society","2003","125","","7534","7535","10.1021/ja0352404","","","0.71073","MoKα","","0.0301","0.0253","","","0.0562","0.0581","","","","","","0.817","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113837","17.76","0.0007","13.149","0.0005","16.8334","0.0006","90","","90","","90","","3931","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H64 Ba O4 Si6 -","- C24 H64 Ba O4 Si6 -","- C96 H256 Ba4 O16 Si24 -","4","1","","Keith Izod; Stephen T. Liddle; William Clegg","Alkyl Complexes of Strontium and Barium: Synthesis and Structural Characterization of {(Me3Si)2(MeOMe2Si)C}2Sr(THF) and {(Me3Si)2(MeOMe2Si)C}2Ba(MeOCH2CH2OMe)","Journal of the American Chemical Society","2003","125","","7534","7535","10.1021/ja0352404","","","0.71073","MoKα","","0.0251","0.0196","","","0.0417","0.0434","","","","","","1.035","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113838","8.098","0.002","22.593","0.006","17.761","0.005","90","","90.575","0.005","90","","3249.4","1.5","293.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H40 N2 O6 Ru S -","- C35 H40 N2 O6 Ru S -","- C140 H160 N8 O24 Ru4 S4 -","4","2","","Masahito Watanabe; Kunihiko Murata; Takao Ikariya","Enantioselective Michael Reaction Catalyzed by Well-Defined Chiral Ru Amido Complexes: Isolation and Characterization of the Catalyst Intermediate, Ru Malonato Complex Having a Metal-Carbon Bond","Journal of the American Chemical Society","2003","125","","7508","7509","10.1021/ja035435b","","","0.7107","MoKα","","","0.09","","","","0.208","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113839","22.597","0.003","22.597","0.003","8.705","0.004","90","","90","","90","","4445","2","296.2","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C16 H32 O3 P3 Rh -","- C16 H32 O3 P3 Rh -","- C128 H256 O24 P24 Rh8 -","8","1","","Jun-Chul Choi; Toshiyasu Sakakura","Oxidative Addition of C-H Bonds to RhCl(PMe3)3: Relevant to the Catalytic Transformation of Hydrocarbons","Journal of the American Chemical Society","2003","125","","7762","7763","10.1021/ja021375i","","","0.7107","MoKα","","","0.0494","","","","0.0775","","","","","","1.714","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113840","9.787","0.003","11.944","0.005","17.892","0.004","90","","94.14","0.02","90","","2086","1.2","193.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 Cl P3 Rh -","- C15 H Cl P3 Rh -","- C60 H4 Cl4 P12 Rh4 -","4","1","","Jun-Chul Choi; Toshiyasu Sakakura","Oxidative Addition of C-H Bonds to RhCl(PMe3)3: Relevant to the Catalytic Transformation of Hydrocarbons","Journal of the American Chemical Society","2003","125","","7762","7763","10.1021/ja021375i","","","0.7107","MoKα","","","0.048","","","","0.0767","","","","","","1.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113841","18.125","0.001","16.326","0.001","27.145","0.002","90","","90","","90","","8032.4","0.9","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","01119","","","- C48 H37 B Fe N6 O3 -","- C48 H37 B Fe N6 O3 -","- C384 H296 B8 Fe8 N48 O24 -","8","2","","Mark P. Mehn; Kiyoshi Fujisawa; Eric L. Hegg; Lawrence Que","Oxygen Activation by Nonheme Iron(II) Complexes: α-Keto Carboxylate versus Carboxylate","Journal of the American Chemical Society","2003","125","","7828","7842","10.1021/ja028867f","","","0.71073","MoKα","","0.1515","0.0633","","","0.1402","0.1631","","","","","","1.006","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113842","8.944","0.001","16.053","0.002","17.941","0.002","112.102","0.002","101.903","0.002","100.557","0.002","2236.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","02128","","","- C53 H41 B Cl2 Fe N6 O2 -","- C53 H41 B Cl2 Fe N6 O2 -","- C106 H82 B2 Cl4 Fe2 N12 O4 -","2","1","","Mark P. Mehn; Kiyoshi Fujisawa; Eric L. Hegg; Lawrence Que","Oxygen Activation by Nonheme Iron(II) Complexes: α-Keto Carboxylate versus Carboxylate","Journal of the American Chemical Society","2003","125","","7828","7842","10.1021/ja028867f","","","0.71073","MoKα","","0.05","0.0392","","","0.0994","0.1043","","","","","","1.023","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113843","13.633","0.003","14.154","0.004","15.481","0.004","84.339","0.004","66.223","0.004","67.251","0.004","2515.2","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","01235","","","- C62 H49 B Fe N8 O2 -","- C62 H49 B Fe N8 O2 -","- C124 H98 B2 Fe2 N16 O4 -","2","1","","Mark P. Mehn; Kiyoshi Fujisawa; Eric L. Hegg; Lawrence Que","Oxygen Activation by Nonheme Iron(II) Complexes: α-Keto Carboxylate versus Carboxylate","Journal of the American Chemical Society","2003","125","","7828","7842","10.1021/ja028867f","","","0.71073","MoKα","","0.0507","0.0361","","","0.0881","0.0932","","","","","","0.983","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113844","13.4709","0.0008","14.1891","0.0009","15.3253","0.0009","83.057","0.001","66.655","0.001","67.175","0.001","2477","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","01211","","","- C62 H48 B Fe N8 O3 -","- C62 H48 B Fe N8 O3 -","- C124 H96 B2 Fe2 N16 O6 -","2","1","","Mark P. Mehn; Kiyoshi Fujisawa; Eric L. Hegg; Lawrence Que","Oxygen Activation by Nonheme Iron(II) Complexes: α-Keto Carboxylate versus Carboxylate","Journal of the American Chemical Society","2003","125","","7828","7842","10.1021/ja028867f","","","0.71073","MoKα","","0.0518","0.0408","","","0.1169","0.125","","","","","","1.013","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113845","34.5808","0.0003","18.2206","0.0001","14.4798","0.0001","90","","90","","90","","9123.47","0.11","273.2","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H47 Cl3 P2 Ru S3 W -","- C47 H45 Cl3 P2 Ru S3 W -","- C376 H360 Cl24 P16 Ru8 S24 W8 -","8","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0268","","","","0.052","","","","","","1.812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113846","11.5969","0.0008","12.611","0.001","16.3226","0.0002","84.38","0.001","75.862","0.003","65.3699","0.0007","2104.2","0.2","171.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 P2 Ru S3 W -","- C46 H46 P2 Ru S3 W -","- C92 H92 P4 Ru2 S6 W2 -","2","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0198","","","","0.0221","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113847","23.7028","0.0005","14.8984","0.0001","12.9654","0.0001","90","","90","","90","","4578.52","0.11","273.2","","","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C47 H47 Cl3 O P2 Ru S2 W -","- C47 H47 Cl3 O P2 Ru S2 W -","- C188 H188 Cl12 O4 P8 Ru4 S8 W4 -","4","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0264","","","","0.0419","","","","","","2.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113848","10.1719","0.0005","12.1015","0.0007","19.534","0.001","87.3157","0.0006","88.1864","0.0009","76.985","0.001","2339.7","0.2","273.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H54 O P2 Ru S2 W -","- C53 H54 O P2 Ru S2 W -","- C106 H108 O2 P4 Ru2 S4 W2 -","2","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0335","","","","0.068","","","","","","1.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113849","13.929","0.001","14.281","0.002","23.637","0.003","103.543","0.003","104.86","0.001","95.669","0.001","4354.7","0.9","173.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C86 H79 B F24 O3 P2 Ru S2 W -","- C86 H78 B F24 O3 P2 Ru S2 W -","- C172 H156 B2 F48 O6 P4 Ru2 S4 W2 -","2","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0582","","","","0.0686","","","","","","1.6","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113850","9.2932","0.0006","13.7152","0.0007","18.4144","0.0006","104.757","0.0006","95.1659","0.0006","91.219","0.001","2258","0.2","273.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H47 F3 O4 P2 Ru S3 W -","- C47 H47 F3 O4 P2 Ru S3 W -","- C94 H94 F6 O8 P4 Ru2 S6 W2 -","2","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0402","","","","0.054","","","","","","2.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113851","12.567","0.0006","13.764","0.001","14.728","0.001","77.6218","0.0006","77.0646","0.0005","82.866","0.001","2417.4","0.3","273.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H48 F3 N O3 P2 Ru S4 W -","- C49 H48 F3 N O3 P2 Ru S4 W -","- C98 H96 F6 N2 O6 P4 Ru2 S8 W2 -","2","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0284","","","","0.0508","","","","","","1.907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113852","14.857","0.002","16.402","0.003","22.9772","0.0008","90","","94.7078","0.0008","90","","5580.3","1.3","193.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 F3 O4 P2 Ru S4 W -","- C48 H45 F3 O4 P2 Ru S4 W -","- C192 H180 F12 O16 P8 Ru4 S16 W4 -","4","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0754","","","","0.091","","","","","","4.707","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113853","12.9743","0.0006","24.498","0.002","14.9406","0.0002","90","","91.916","0.0003","90","","4746.1","0.4","193.2","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C49 H48 F3 N O4 P2 Ru S3 W -","- C49 H48 F3 N O4 P2 Ru S3 W -","- C196 H192 F12 N4 O16 P8 Ru4 S12 W4 -","4","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0276","","","","0.0355","","","","","","2.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113854","6.057","0.004","8.667","0.006","23.73","0.02","90","","90","","90","","1245.7","1.6","173.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N4 -","- C13 H16 N4 -","- C52 H64 N16 -","4","1","","Shin Kamijo; Tienan Jin; Zhibao Huo; Yoshinori Yamamoto","Synthesis of Triazoles from Nonactivated Terminal Alkynes via the Three-Component Coupling Reaction Using a Pd(0)-Cu(I) Bimetallic Catalyst","Journal of the American Chemical Society","2003","125","","7786","7787","10.1021/ja034191s","","","0.7107","MoKα","","","0.0445","","","","0.0536","","","","","","1.377","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113855","33.3063","0.0015","33.3063","0.0015","13.8485","0.0009","90","","90","","90","","15362.3","1.4","193","2","193","2","","","","","","","","8","I 41/a :2","-I 4ad","88","compound(1a)","","","- C32 H24 Au2 F3 N2 O7 P2 S -","- C32 H24 Au2 F3 N2 O7 P2 S -","- C512 H384 Au32 F48 N32 O112 P32 S16 -","16","1","","Young-A Lee; Richard Eisenberg","Luminescence Tribochromism and Bright Emission in Gold(I) Thiouracilate Complexes","Journal of the American Chemical Society","2003","125","","7778","7779","10.1021/ja034560k","","","0.71073","MoKα","","0.0631","0.0516","","","0.1441","0.1508","","","","","","1.073","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113856","13.8976","0.0012","21.5548","0.0019","26.928","0.002","84.383","0.002","77.259","0.002","83.48","0.002","7794.9","1.1","193","2","193","2","","","","","","","","8","P -1","-P 1","2","compound(1b)","","","- C132 H104 Au8 F9 N8 O22 P8 S4 -","- C132 H104 Au8 F9 N8 O22 P8 S4 -","- C264 H208 Au16 F18 N16 O44 P16 S8 -","2","1","","Young-A Lee; Richard Eisenberg","Luminescence Tribochromism and Bright Emission in Gold(I) Thiouracilate Complexes","Journal of the American Chemical Society","2003","125","","7778","7779","10.1021/ja034560k","","","0.71073","MoKα","","0.078","0.0556","","","0.1472","0.1545","","","","","","1.073","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113857","12.3737","0.0006","29.1208","0.0014","17.4858","0.0008","90","","93.657","0.001","90","","6287.9","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","compound(2b)","","","- C63 H54 Au4 N4 O5 P4 S2 -","- C63 H54 Au4 N4 O5 P4 S2 -","- C252 H216 Au16 N16 O20 P16 S8 -","4","1","","Young-A Lee; Richard Eisenberg","Luminescence Tribochromism and Bright Emission in Gold(I) Thiouracilate Complexes","Journal of the American Chemical Society","2003","125","","7778","7779","10.1021/ja034560k","","","0.71073","MoKα","","0.0662","0.0424","","","0.0795","0.0862","","","","","","0.966","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113858","9.025","0.001","21.315","0.001","27.449","0.002","102.37","0.002","90.806","0.002","89.802","0.003","5157.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 K N9 O16 P2 Zn2 -","- C38 H32 K N9 O16 P2 Zn2 -","- C152 H128 K4 N36 O64 P8 Zn8 -","4","2","","Dong Hoon Lee; Ja Hyun Im; Seung Uk Son; Young Keun Chung; Jong-In Hong","An Azophenol-based Chromogenic Pyrophosphate Sensor in Water","Journal of the American Chemical Society","2003","125","","7752","7753","10.1021/ja034689u","","","0.71073","MoKα","","0.3017","0.1428","","","0.3956","0.4369","","","","","","1.102","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113859","13.0395","0.0012","18.0525","0.0017","17.8407","0.0017","90","","103.389","0.002","90","","4085.5","0.7","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Cl7 N6 O2 Pt2 Ru S2 -","- C31 H29 Cl7 N6 O2 Pt2 Ru S2 -","- C124 H116 Cl28 N24 O8 Pt8 Ru4 S8 -","4","1","","Cheuk-Fai Chow; Brenda K. W. Chiu; Michael H. W. Lam; Wai-Yeung Wong","A Trinuclear Heterobimetallic Ru(II)/Pt(II) Complex as a Chemodosimeter Selective for Sulfhydryl-Containing Amino Acids and Peptides","Journal of the American Chemical Society","2003","125","","7802","7803","10.1021/ja034891x","","","0.71073","MoKα","","0.092","0.0442","","","0.0958","0.1152","","","","","","0.935","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113860","13.107","0.0015","13.1084","0.0015","10.8607","0.0011","90","","90","","90","","1866","0.4","295","2","295","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C32 H68 Cr2 N8 -","- C32 H68 Cr2 N8 -","- C64 H136 Cr4 N16 -","2","0.25","","Azwana R. Sadique; Mary Jane Heeg; Charles H. Winter","A Weak, Short Metal-Metal Bond in a Chromium(II) Amidinate Complex","Journal of the American Chemical Society","2003","125","","7774","7775","10.1021/ja035082g","","","0.71073","MoKα","","0.0534","0.0341","","","0.0938","0.1","","","","","","0.992","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113861","15.5859","0.0002","10.8807","0.0001","29.6653","0.0004","90","","103.26","0.004","90","","4896.68","0.13","210","2","210","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H47 P3 Ru Si2 -","- C15 H46 P4 Ru Si -","- C120 H368 P32 Ru8 Si8 -","8","1","","Vladimir K. Dioumaev; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Synthesis and Reactivity of Silyl Ruthenium Complexes: The Importance of Trans Effects in C-H Activation, Si-C Bond Formation, and Dehydrogenative Coupling of Silanes","Journal of the American Chemical Society","2003","125","","8043","8058","10.1021/ja035131p","","","0.71069","MoKα","","0.0444","0.0391","","0.1024","0.0984","","","","1.125","1.135","1.135","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113862","12.3876","0.0001","23.6973","0.0003","10.2102","0.0001","90","","97.801","0.001","90","","2969.49","0.05","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H54 P4 Ru Si2 -","- C18 H54 P4 Ru Si2 -","- C72 H216 P16 Ru4 Si8 -","4","1","","Vladimir K. Dioumaev; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Synthesis and Reactivity of Silyl Ruthenium Complexes: The Importance of Trans Effects in C-H Activation, Si-C Bond Formation, and Dehydrogenative Coupling of Silanes","Journal of the American Chemical Society","2003","125","","8043","8058","10.1021/ja035131p","","","0.7107","MoKα","","0.0512","0.0448","","0.1035","0.1004","","","","1.182","1.194","1.194","","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113863","9.113","0.001","29.26","0.005","9.353","0.002","90","","106.13","0.01","90","","2395.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H44 P4 Ru Si -","- C14 H44 P4 Ru Si -","- C56 H176 P16 Ru4 Si4 -","4","1","","Vladimir K. Dioumaev; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Synthesis and Reactivity of Silyl Ruthenium Complexes: The Importance of Trans Effects in C-H Activation, Si-C Bond Formation, and Dehydrogenative Coupling of Silanes","Journal of the American Chemical Society","2003","125","","8043","8058","10.1021/ja035131p","","","0.71073","MoKα","","","0.049","","","0.06","","","","","1.81","1.81","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113864","14.22","0.001","9.802","0.003","16.265","0.004","90","","96.67","0.01","90","","2251.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H39 P3 Ru Si -","- C12 H39 P3 Ru Si -","- C48 H156 P12 Ru4 Si4 -","4","1","","Vladimir K. Dioumaev; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Synthesis and Reactivity of Silyl Ruthenium Complexes: The Importance of Trans Effects in C-H Activation, Si-C Bond Formation, and Dehydrogenative Coupling of Silanes","Journal of the American Chemical Society","2003","125","","8043","8058","10.1021/ja035131p","","","0.71073","MoKα","","","0.034","","","0.039","","","","","1.06","1.06","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113865","15.2642","0.0002","10.9388","0.0001","31.0714","0.0004","90","","103.982","0.001","90","","5034.34","0.11","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 P4 Ru Si -","- C16 H48 P4 Ru Si -","- C128 H384 P32 Ru8 Si8 -","8","1","","Vladimir K. Dioumaev; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Synthesis and Reactivity of Silyl Ruthenium Complexes: The Importance of Trans Effects in C-H Activation, Si-C Bond Formation, and Dehydrogenative Coupling of Silanes","Journal of the American Chemical Society","2003","125","","8043","8058","10.1021/ja035131p","","","0.71069","MoKα","","0.0653","0.0554","","0.1295","0.1239","","","","1.215","1.238","1.238","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113866","9.8954","0.0015","8.833","0.0013","24.243","0.003","90","","93.538","0.005","90","","2114.9","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H51 Br N2 O9 S -","- C41 H51 Br N2 O9 S -","- C82 H102 Br2 N4 O18 S2 -","2","1","","Ruichao Shen; Cheng Ting Lin; Emma Jean Bowman; Barry J. Bowman; John A. Porco","Lobatamide C: Total Synthesis, Stereochemical Assignment, Preparation of Simplified Analogues, and V-ATPase Inhibition Studies","Journal of the American Chemical Society","2003","125","","7889","7901","10.1021/ja0352350","","","0.71073","MoKα","","0.075","0.0524","","","0.1265","0.1379","","","","","","0.994","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113867","5.5407","0.0005","7.4651","0.0007","8.8448","0.0009","90","","90.841","0.002","90","","365.8","0.06","293","0.2","293","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Ba Mo2 O9 Te -","- Ba Mo2 O9 Te -","- Ba2 Mo4 O18 Te2 -","2","1","","Hyun-Seup Ra; Kang Min Ok; P. Shiv Halasyamani","Combining Second-Order Jahn-Teller Distorted Cations to Create Highly Efficient SHG Materials: Synthesis, Characterization, and NLO Properties of BaTeM2O9 (M = Mo6+ or W6+)","Journal of the American Chemical Society","2003","125","","7764","7765","10.1021/ja035314b","","","0.71073","MoKα","","0.0313","0.0305","","","0.0781","0.0787","","","","","","1.078","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113868","5.49","0.002","7.446","0.003","8.887","0.003","90","","90.37","0.006","90","","363.3","0.2","293","0.2","293","0.2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- Ba O9 Te W2 -","- Ba O9 Te W2 -","- Ba2 O18 Te2 W4 -","2","1","","Hyun-Seup Ra; Kang Min Ok; P. Shiv Halasyamani","Combining Second-Order Jahn-Teller Distorted Cations to Create Highly Efficient SHG Materials: Synthesis, Characterization, and NLO Properties of BaTeM2O9 (M = Mo6+ or W6+)","Journal of the American Chemical Society","2003","125","","7764","7765","10.1021/ja035314b","","x-ray","0.71073","MoKα","","0.0601","0.06","","","0.1589","0.1591","","","","","","1.082","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113869","10.4353","0.001","10.5321","0.0005","20.91","0.002","101.872","0.006","97.271","0.009","109.371","0.006","2073.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(dicyclohexyl(2-biphenylyl)phosphine)palladium(0)","","- C48 H62 P2 Pd -","- C48 H62 P2 Pd -","- C96 H124 P4 Pd2 -","2","1","","Steven M. Reid; Robert C. Boyle; Joel T. Mague; Mark J. Fink","A Dicoordinate Palladium(0) Complex with an Unusual Intramolecular η1-Arene Coordination","Journal of the American Chemical Society","2003","125","","7816","7817","10.1021/ja0361493","","","0.71073","MoKα","","0.1221","0.0382","","","0.0802","0.0965","","","","","","0.999","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113870","8.9389","0.0002","6.2634","0.0002","24.0333","0.0006","90","","98.464","0.002","90","","1330.92","0.06","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 N O6 Si -","- C26 H37 N O6 Si -","- C52 H74 N2 O12 Si2 -","2","1","","Ming Yu; Brian L. Pagenkopf","Formal [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes and Nitriles","Journal of the American Chemical Society","2003","125","","8122","8123","10.1021/ja029716f","","","0.71073","MoKα","","0.1313","0.0678","","","0.099","0.1232","","","","","","1.087","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113871","9.689","0.0008","14.115","0.0013","15.61","0.002","105.82","0.004","100.184","0.003","98.048","0.003","1981.3","0.4","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C19 H27 N O2 S2 -","- C19 H27 N O2 S2 -","- C76 H108 N4 O8 S8 -","4","2","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.2027","0.0785","","","0.1585","0.2017","","","","","","1.033","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113872","21.4715","0.0012","21.4715","0.0012","15.368","0.0011","90","","90","","90","","7085","0.8","153","","","","","","","","","","Local laboratory","4","P 4/n :2","-P 4a","85","","","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C256 H352 O64 S16 -","16","2","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.2258","0.0991","","","0.2441","0.2741","","","","","","1.038","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113873","8.786","0.0004","8.898","0.0004","21.61","0.0013","90","","100.686","0.002","90","","1660.13","0.15","153","","","","","","","","","","Local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.0507","0.0403","","","0.0966","0.1012","","","","","","1.029","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113874","9.037","0.0005","15.581","0.0009","13.245","0.001","90","","106.16","0.18","90","","1791.3","1.6","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 O S -","- C19 H30 O S -","- C76 H120 O4 S4 -","4","1","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.1017","0.0633","","","0.1575","0.1745","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113875","7.2296","0.0014","21.916","0.004","15.376","0.004","90","","105.03","0.06","90","","2352.9","1.1","298","","","","","","","","","","Local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O5 S2 -","- C23 H20 N O5 S2 -","- C92 H80 N4 O20 S8 -","4","1","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","1.54178","CuKα","","0.0979","0.0877","","","0.2103","0.2174","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113876","7.688","0.0007","28.758","0.002","12.278","0.0014","90","","92.76","0.003","90","","2711.4","0.4","298","","","","","","","","","","Local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N4 O4 S2 -","- C27 H32 N4 O4 S2 -","- C108 H128 N16 O16 S8 -","4","1","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.1787","0.0832","","","0.1594","0.1821","","","","","","1.021","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113877","7.807","0.0007","10.952","0.0006","14.109","0.0011","66.974","0.005","82.138","0.004","85.308","0.006","1099.27","0.15","153","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C22 H28 N4 O3 S -","- C22 H28 N4 O3 S -","- C44 H56 N8 O6 S2 -","2","1","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.1129","0.0593","","","0.1209","0.1447","","","","","","1.012","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113878","9.9086","0.0004","12.8372","0.0006","42.2856","0.0012","90","","90","","90","","5378.7","0.4","210","2","210","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","9-hydroxy-3-isopropenyl-8,14-dimethyl-2-(triethyl-silanyloxy)- 2,6,7,8,9,11,12,13,14,17-decahydro-3H,5H-4,16-dioxa-cyclopenta[a]phenanthren- 15-one","","- C26 H42 O5 Si -","- C24.5 H27 O5 Si -","- C196 H216 O40 Si8 -","8","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.101","0.093","","0.2657","0.2538","","","","1.07","1.087","1.087","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113879","11.769","0.004","16.206","0.007","14.05","0.005","90","","91.08","0.03","90","","2679.3","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 Br N O3 -","- C31 H36 Br N O3 -","- C124 H144 Br4 N4 O12 -","4","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71073","MoKα","","0.1668","0.0536","","","0.1101","0.1448","","","","","","0.948","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113880","9.7585","0.0009","7.1081","0.0005","11.1343","0.0008","90","","102.922","0.004","90","","752.77","0.1","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-isopropenyl-6a-methyl-2,3,4a,5,6,6a,7,8,9,10-decahydro-1H-benzo[f]chromen-2-ol","","- C17 H26 O2 -","- C17 H26 O2 -","- C34 H52 O4 -","2","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.0674","0.0582","","0.1148","0.1087","","","","1.205","1.222","1.222","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113881","10.3925","0.0014","23.112","0.002","6.4688","0.001","90","","90","","90","","1553.8","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-isopropenyl-6a-methyl-2,3,4a,5,6,6a,7,8,9,10-decahydro-benzo[f]chromene-2, 10a-diol","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.0923","0.0821","","0.2098","0.2017","","","","1.13","1.17","1.17","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113882","10.9982","0.0005","10.2218","0.0006","17.0659","0.0011","90","","104.751","0.002","90","","1855.34","0.18","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H53 N O3 Si -","- C40 H57 N O3 Si -","- C80 H114 N2 O6 Si2 -","2","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.0898","0.0748","","0.1428","0.1339","","","","1.175","1.212","1.212","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113883","12.773","0.003","16.911","0.004","17.389","0.004","90","0.005","94.983","0.006","90","0.006","3741.9","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 O Si4 Zr -","- C34 H54 O Si4 Zr -","- C136 H216 O4 Si16 Zr4 -","4","1","","Christopher A. Bradley; Emil Lobkovsky; Paul J. Chirik","Synthesis of a Zirconium Sandwich Complex and Crystallographic Characterization of Its Adduct with Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","8110","8111","10.1021/ja035594v","","","0.71073","MoKα","","0.0849","0.0532","","","0.1448","0.1618","","","","","","1.045","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113884","10.3208","0.0015","11.454","0.0017","18.018","0.003","97.191","0.003","97.918","0.003","104.53","0.003","2013.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 O2 Si4 Zr -","- C37.5 H46 O2 Si4 Zr -","- C75 H92 O4 Si8 Zr2 -","2","1","","Christopher A. Bradley; Emil Lobkovsky; Paul J. Chirik","Synthesis of a Zirconium Sandwich Complex and Crystallographic Characterization of Its Adduct with Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","8110","8111","10.1021/ja035594v","","","0.71073","MoKα","","0.0451","0.0339","","","0.0866","0.0914","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113885","14.7702","0.0015","13.1948","0.0013","20.685","0.002","90","","96.017","0.003","90","","4009.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 N2 Si4 Zr -","- C37 H56 N2 Si4 Zr -","- C148 H224 N8 Si16 Zr4 -","4","1","","Christopher A. Bradley; Emil Lobkovsky; Paul J. Chirik","Synthesis of a Zirconium Sandwich Complex and Crystallographic Characterization of Its Adduct with Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","8110","8111","10.1021/ja035594v","","","0.71073","MoKα","","0.1002","0.0568","","","0.1211","0.1383","","","","","","1.011","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113886","13.776","0.002","15.674","0.003","14.189","0.002","90","","105.957","0.002","90","","2945.7","0.8","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 F5 N7 Ti -","- C24 H40 F5 N7 Ti -","- C96 H160 F20 N28 Ti4 -","4","0.5","","Tiow-Gan Ong; Glenn P. A. Yap; Darrin S. Richeson","Catalytic Construction and Reconstruction of Guanidines: Ti-Mediated Guanylation of Amines and Transamination of Guanidines","Journal of the American Chemical Society","2003","125","","8100","8101","10.1021/ja035716j","","","0.71073","MoKα","","0.0586","0.0426","","","0.0995","0.1079","","","","","","1.075","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113887","16.9366","0.0017","11.4823","0.0011","18.958","0.0019","90","","91.165","0.002","90","","3686","0.6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H54 F5 N9 Ti -","- C31 H54 F5 N9 Ti -","- C124 H216 F20 N36 Ti4 -","4","1","","Tiow-Gan Ong; Glenn P. A. Yap; Darrin S. Richeson","Catalytic Construction and Reconstruction of Guanidines: Ti-Mediated Guanylation of Amines and Transamination of Guanidines","Journal of the American Chemical Society","2003","125","","8100","8101","10.1021/ja035716j","","","0.71073","MoKα","","0.1178","0.0646","","","0.1237","0.1429","","","","","","1.017","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113888","15.368","0.004","11.131","0.003","8.602","0.002","90","","94.647","0.004","90","","1466.6","0.6","203","2","203","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H23 N3 O -","- C14 H23 N3 O -","- C56 H92 N12 O4 -","4","1","","Tiow-Gan Ong; Glenn P. A. Yap; Darrin S. Richeson","Catalytic Construction and Reconstruction of Guanidines: Ti-Mediated Guanylation of Amines and Transamination of Guanidines","Journal of the American Chemical Society","2003","125","","8100","8101","10.1021/ja035716j","","","0.71073","MoKα","","0.1016","0.069","","","0.1545","0.1705","","","","","","1.036","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113889","14.8233","0.0007","10.733","0.0005","18.2072","0.0008","90","","112.067","0.001","90","","2684.5","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 B N6 Pt -","- C27 H33 B N6 Pt -","- C108 H132 B4 N24 Pt4 -","4","1","","Michael P. Jensen; Douglas D. Wick; Stefan Reinartz; Peter S. White; Joseph L. Templeton; Karen I. Goldberg","Reductive Elimination/Oxidative Addition of Carbon-Hydrogen Bonds at Pt(IV)/Pt(II) Centers: Mechanistic Studies of the Solution Thermolyses of TpMe2Pt(CH3)2H","Journal of the American Chemical Society","2003","125","","8614","8624","10.1021/ja028477t","","","0.71073","MolybdenumKα","","0.056","0.039","","0.051","0.046","","","","","1.84","1.84","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113890","10.26","0.002","13.106","0.004","32.814","0.011","95.487","0.009","90.497","0.015","100.881","0.015","4312","2","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H120 N4 O10 -","- C90 H120 N4 O10 -","- C180 H240 N8 O20 -","2","1","","Andrzej Rajca; Maren Pink; Teerapat Rojsajjakul; Kan Lu; Hua Wang; Suchada Rajca","X-ray Crystallography and Magnetic Studies of a Stable Macrocyclic Tetranitroxide. Intramolecular Dimer of Nitroxides in a Constrained Geometry of the Upper Rim of Calix[4]arene","Journal of the American Chemical Society","2003","125","","8534","8538","10.1021/ja034115p","","","0.55942","","","0.1655","0.1253","","","0.3164","0.3361","","","","","","1.082","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113891","10.2842","0.0007","13.0555","0.0008","33.167","0.002","95.779","0.001","96.733","0.001","100.26","0.001","4317.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C90.31 H121.24 N4 O10.31 -","- C90.3172 H121.269 N4 O10.3172 -","- C180.634 H242.538 N8 O20.6344 -","2","1","","Andrzej Rajca; Maren Pink; Teerapat Rojsajjakul; Kan Lu; Hua Wang; Suchada Rajca","X-ray Crystallography and Magnetic Studies of a Stable Macrocyclic Tetranitroxide. Intramolecular Dimer of Nitroxides in a Constrained Geometry of the Upper Rim of Calix[4]arene","Journal of the American Chemical Society","2003","125","","8534","8538","10.1021/ja034115p","","","0.71073","MoKα","","0.1348","0.064","","","0.168","0.1994","","","","","","0.926","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113892","18.555","0.003","18.555","0.003","15.958","0.003","90","","90","","90","","5494.1","1.6","173","2","173","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C51 H48.5 Ag2 B2 F8 N9.5 -","- C51 H48 Ag2 B2 F8 N9.5 -","- C204 H192 Ag8 B8 F32 N38 -","4","0.25","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.145","0.0855","","","0.2623","0.2933","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113893","10.0439","0.0012","11.5002","0.0014","12.4933","0.0016","63.602","0.002","86.826","0.002","87.684","0.002","1290.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H48 Ag2 F6 N8 O6 S2 -","- C52 H48 Ag2 F6 N8 O6 S2 -","- C52 H48 Ag2 F6 N8 O6 S2 -","1","0.5","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.0935","0.0515","","","0.1086","0.1198","","","","","","1","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113894","9.1423","0.0006","11.4306","0.0008","15.1363","0.001","73.591","0.001","75.077","0.001","74.325","0.001","1432.53","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52 Ag2 F6 N8 O6 S2 -","- C53.8 H52 Ag2 F5.4 N8 O6.6 S2.2 -","- C53.8 H52 Ag2 F5.4 N8 O6.6 S2.2 -","1","0.5","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.076","0.0544","","","0.1644","0.1776","","","","","","1.013","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113895","14.0129","0.0013","14.0129","0.0013","23.119","0.003","90","","90","","120","","3931.5","0.7","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C80 H78 Ag2 F6 N12 O6 S2 -","- C79.99 H78 Ag2 F5.97 N12 O5.99 S1.99 -","- C159.98 H156 Ag4 F11.94 N24 O11.98 S3.98 -","2","0.166667","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.1245","0.0716","","","0.1935","0.2409","","","","","","1.05","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113896","18.6162","0.0011","18.6162","0.0011","16.184","0.0013","90","","90","","90","","5608.8","0.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H96 Cl4 Cu2 N16 O16 -","- C100 H96 Cl4.06 Cu2 N16 O16 -","- C200 H192 Cl8.12 Cu4 N32 O32 -","2","0.125","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.1166","0.107","","","0.2353","0.2392","","","","","","1.136","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113897","15.301","0.002","15.301","0.002","23.303","0.005","90","","90","","90","","5455.7","1.5","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H116 Cl4 N16 Ni2 O10 -","- C100 H96 Cl4 N16 Ni2 O10 -","- C200 H192 Cl8 N32 Ni4 O20 -","2","0.125","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.2125","0.0798","","","0.1981","0.2398","","","","","","0.982","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113898","27.824","0.004","27.824","0.004","18.108","0.004","90","","90","","90","","14019","4","173","2","173","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C68 H65 Ag3 B3 F12 N13 O -","- C68 H60 Ag3 B3 F12 N13 O -","- C544 H480 Ag24 B24 F96 N104 O8 -","8","1","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.145","0.0801","","","0.1859","0.2331","","","","","","1.017","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113899","28.108","0.003","28.108","0.003","18.335","0.003","90","","90","","90","","14486","3","294","2","294","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C68.5 H65.5 Ag3 Cl3 N13 O12.75 -","- C68.5 H65 Ag3 Cl3 N13 O12.75 -","- C548 H520 Ag24 Cl24 N104 O102 -","8","1","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.2278","0.0643","","","0.1573","0.2091","","","","","","0.928","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113900","16.935","0.003","17.165","0.003","30.625","0.006","101.72","0.03","102.94","0.03","91.36","0.03","8473","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H144 Cu10 I10 N24 O7 -","- C132 H120 Cu10 I10 N24 O7 -","- C264 H240 Cu20 I20 N48 O14 -","2","1","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.1108","0.0847","","","0.2301","0.2471","","","","","","1.052","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113901","19.893","0.006","40.398","0.013","23.814","0.009","90","","108.19","0.02","90","","18181","11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C138 H138 Cu10 I10 N24 O6 -","- C138 H126 Cu10 I10 N24 O5.6 -","- C552 H504 Cu40 I40 N96 O22.4 -","4","1","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.2241","0.0817","","","0.1726","0.211","","","","","","0.929","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113902","13.6932","0.0001","17.2175","0.0003","17.4876","0.0004","90","","104.717","0.001","90","","3987.66","0.12","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1.0.5Et2O","","","- C40 H33 Au2 Cl2 O0.5 P2 -","- C40 H33 Au2 Cl2 O0.5 P2 -","- C160 H132 Au8 Cl8 O2 P8 -","4","1","","Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal","First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)","Journal of the American Chemical Society","2003","125","","8452","8453","10.1021/ja035064z","","","0.71073","MoKα","","0.0615","0.0359","","","0.0762","0.0808","","","","","","1.195","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113903","13.7116","0.0008","17.2149","0.001","17.5732","0.001","90","","104.468","0.001","90","","4016.5","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2.Et2O","","","- C42 H38 Au2 Br2 O P2 -","- C42 H38 Au2 Br2 O P2 -","- C168 H152 Au8 Br8 O4 P8 -","4","1","","Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal","First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)","Journal of the American Chemical Society","2003","125","","8452","8453","10.1021/ja035064z","","","0.71073","MoKα","","0.0625","0.0444","","","0.1043","0.1094","","","","","","1.004","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113904","17.952","0.003","17.952","0.003","25.388","","90","","90","","90","","8181.9","1.9","223","2","223","2","","","","","","","","8","I 4/m","-I 4","87","3.2CH2Cl2","","","- C78 H60 Ag Au4 Cl8 F6 P4 Sb -","- C78 H60 Ag Au4 Cl8 F6 P4 Sb -","- C312 H240 Ag4 Au16 Cl32 F24 P16 Sb4 -","4","0.25","","Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal","First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)","Journal of the American Chemical Society","2003","125","","8452","8453","10.1021/ja035064z","","","0.71073","MoKα","","0.0647","0.0454","","","0.1213","0.1318","","","","","","1.056","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113905","18.018","0.0005","18.018","0.0005","25.702","0.0013","90","","90","","90","","8344.1","0.5","223","2","223","2","","","","","","","","9","I 4/m","-I 4","87","4.2CH2Cl2","","","- C78 H60 Ag Au4 Br4 Cl4 F6 P4 Sb -","- C78 H60 Ag Au4 Br4 Cl4 F6 P4 Sb -","- C312 H240 Ag4 Au16 Br16 Cl16 F24 P16 Sb4 -","4","0.25","","Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal","First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)","Journal of the American Chemical Society","2003","125","","8452","8453","10.1021/ja035064z","","","0.71073","MoKα","","0.0943","0.054","","","0.1356","0.1536","","","","","","1.02","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113906","9.8887","0.0005","13.1481","0.0006","15.3131","0.0007","108.03","0.001","106.053","0.001","101.948","0.001","1723.59","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H88 N10 O10 -","- C76 H88 N10 O10 -","- C76 H88 N10 O10 -","1","0.5","","Alessio Altieri; Francesco G. Gatti; Euan R. Kay; David A. Leigh; David Martel; Francesco Paolucci; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Electrochemically Switchable Hydrogen-Bonded Molecular Shuttles","Journal of the American Chemical Society","2003","125","","8644","8654","10.1021/ja0352552","","","0.71073","MoKα","","0.1902","0.0866","","0.2659","0.1894","","","","0.975","1.103","1.103","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113907","9.7938","0.0009","16.1609","0.0014","16.8676","0.0015","90","","104.956","0.002","90","","2579.3","0.4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 N6 O6 -","- C64 H60 N6 O6 -","- C128 H120 N12 O12 -","2","0.5","","Alessio Altieri; Francesco G. Gatti; Euan R. Kay; David A. Leigh; David Martel; Francesco Paolucci; Alexandra M. Z. Slawin; Jenny K. Y. Wong","Electrochemically Switchable Hydrogen-Bonded Molecular Shuttles","Journal of the American Chemical Society","2003","125","","8644","8654","10.1021/ja0352552","","","0.71073","MoKα","","0.3409","0.1114","","","0.1964","0.284","","","","","","0.928","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113908","7.565","0.002","10.303","0.003","11.618","0.004","102.588","0.006","105.928","0.007","89.89","0.005","848.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Yoshifumi Hachisu; Jeffrey W. Bode; Keisuke Suzuki","Catalytic Intramolecular Crossed Aldehyde-Ketone Benzoin Reactions: A Novel Synthesis of Functionalized Preanthraquinones","Journal of the American Chemical Society","2003","125","","8432","8433","10.1021/ja035308f","","","0.71073","MoKα","","0.0735","0.0563","","","0.1627","0.1734","","","","","","1.018","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113909","9.838","0.003","9.458","0.002","23.703","0.005","90","","94.34","0.02","90","","2199.2","0.9","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 Cl2 Fe N2 O -","- C19 H31 Cl2 Fe N2 O -","- C76 H124 Cl8 Fe4 N8 O4 -","4","1","","Rachel K. O'Reilly; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Design of Highly Active Iron-Based Catalysts for Atom Transfer Radical Polymerization: Tridentate Salicylaldiminato Ligands Affording near Ideal Nernstian Behavior","Journal of the American Chemical Society","2003","125","","8450","8451","10.1021/ja035458q","","","1.54178","CuKα","","0.0962","0.0555","","0.14","0.1163","","","","1.039","1.11","1.11","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113910","30.145","0.004","5.7435","0.0007","21.58","0.003","90","","105.133","0.002","90","","3606.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Cl4 N16 O12 -","- C74 H82 Cl4 N16 O12 -","- C148 H164 Cl8 N32 O24 -","2","0.5","","Julius F. Remenar; Sherry L. Morissette; Matthew L. Peterson; Brian Moulton; J. Michael MacPhee; Héctor R. Guzmán; Örn Almarsson","Crystal Engineering of Novel Cocrystals of a Triazole Drug with 1,4-Dicarboxylic Acids","Journal of the American Chemical Society","2003","125","","8456","8457","10.1021/ja035776p","","","0.71073","MoKα","","0.1481","0.0927","","","0.2169","0.2489","","","","","","1.014","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113911","17.6632","0.0001","19.481","0.0001","19.6861","0.0003","91.886","0.001","113.958","0.001","113.924","0.0008","5497.91","0.12","223.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C238 H126 B4 Cl4 F96 N4 Pd8 -","- C238 H124 B4 Cl4 F96 N4 Pd8 -","- C238 H124 B4 Cl4 F96 N4 Pd8 -","1","0.5","","Tetsuro Murahashi; Tomohito Uemura; Hideo Kurosawa","Perylene-Tetrapalladium Sandwich Complexes","Journal of the American Chemical Society","2003","125","","8436","8437","10.1021/ja0358246","","","0.7107","MoKα","","","0.0447","","","","0.0679","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113912","14.7979","0.0006","15.949","0.0007","17.6093","0.0007","90","","91.488","0.001","90","","4154.6","0.3","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[[Ph2BP2]PtMe2][ASN]","","","- C48 H56 B N P2 Pt -","- C48 H56 B N P2 Pt -","- C192 H224 B4 N4 P8 Pt4 -","4","1","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.0384","0.0273","","","0.0514","0.0529","","","","","","1.203","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113913","12.4923","0.0009","21.3358","0.0016","14.6898","0.0011","90","","90.021","0.001","90","","3915.3","0.5","96","2","96","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Ph2SiP2)Pt(Me)2toluene","","","- C47 H48 P2 Pt Si -","- C47 H48 P2 Pt Si -","- C188 H192 P8 Pt4 Si4 -","4","1","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.0402","0.0272","","","0.0546","0.0574","","","","","","1.258","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113914","15.4697","0.001","16.0349","0.001","20.7479","0.0013","90","","90","","90","","5146.6","0.6","96","2","96","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(dppp)Pt(Me)2","","","- C29 H32 P2 Pt -","- C29 H32 P2 Pt -","- C232 H256 P16 Pt8 -","8","2","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.0226","0.0203","","","0.0446","0.0451","","","","","","1.235","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113915","12.21","0.004","12.803","0.004","16.205","0.005","109.614","0.005","104.361","0.005","96.489","0.005","2257.6","1.2","98","2","98","2","","","","","","","","6","P -1","-P 1","2","[Ph2BP2[Pt(Me)(THF)2THF","","","- C51 H61 B O3 P2 Pt -","- C51 H61 B O3 P2 Pt -","- C102 H122 B2 O6 P4 Pt2 -","2","1","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.0624","0.0422","","","0.0789","0.0822","","","","","","1.216","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113916","15.3609","0.0008","17.3619","0.0009","32.5391","0.0017","93.281","0.001","95.378","0.001","105.286","0.001","8303.7","0.8","98","2","98","2","","","","","","","","7","P -1","-P 1","2","[((Ph2SiP2)Pt)2(biphenyl)][B(C6F5)4]24oxylene","","","- C168 H118 B2 F40 P4 Pt2 Si2 -","- C163.2 H112 B2 F40 P4 Pt2 Si2 -","- C326.4 H224 B4 F80 P8 Pt4 Si4 -","2","1","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.1675","0.1267","","","0.2483","0.2521","","","","","","4.558","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113917","11.096","0.002","12.329","0.003","20.719","0.004","96.85","0.03","103.38","0.03","92.92","0.03","2728.7","1.1","96","2","96","2","","","","","","","","6","P -1","-P 1","2","[Ph2BP2]Pt(Me)(P(C6F5)3)C6H6","","","- C63 H43 B F15 P3 Pt -","- C63 H43 B F15 P3 Pt -","- C126 H86 B2 F30 P6 Pt2 -","2","1","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.0399","0.0297","","","0.0621","0.0654","","","","","","1.21","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113918","8.03183","0.00008","3.83589","0.000033","7.52198","0.00009","90","","90","","90","","231.746","0.004","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","- Ba2 Fe4 Ho2 O10 -","2","0.25","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113919","8.0314","0.0019","7.672","0.004","7.5218","0.0017","90","","90","","90","","463.5","0.3","","","","","","","","","","","","1","P m m a","-P 2a 2a","51","","","","- Fe -","- Fe -","- Fe8 -","8","1","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:46",""
"4113920","8.02258","0.00008","3.84893","0.00004","7.54252","0.00008","90","","90","","90","","232.901","0.004","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","- Ba2 Fe4 Ho2 O10 -","2","0.25","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113921","8.0228","0.0019","7.696","0.004","7.5424","0.0017","90","","90","","90","","465.7","0.3","","","","","","","","","","","","1","P m m a","-P 2a 2a","51","","","","- Fe -","- Fe -","- Fe8 -","8","1","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:47",""
"4113922","3.932787","0.000032","3.918529","0.000032","7.56186","0.00006","90","","90","","90","","116.534","0.0016","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113923","7.866","0.002","7.816","0.004","15.123","0.0027","90","","90","","90","","929.8","0.6","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe -","- Fe16 -","16","4","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:47",""
"4113924","3.93355","0.00007","3.92896","0.00007","7.57777","0.00006","90","","90","","90","","117.113","0.003","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113925","7.868","0.002","7.857","0.004","15.154","0.0027","90","","90","","90","","936.8","0.6","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe -","- Fe16 -","16","4","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:47",""
"4113926","7.99949","0.0001","3.91587","0.00005","7.63343","0.0001","90","","90","","90","","239.117","0.005","","","","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba2 Fe4 Nd2 O10 -","2","0.5","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113927","7.998","0.0006","7.833","0.0011","15.2643","0.0011","90","","90","","90","","956.28","0.17","","","","","","","","","","","","2","P 21 m a","P -2a 2a","26","","","","- Fe Nd -","- Fe2 Nd -","- Fe16 Nd8 -","8","2","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113928","2.86048","0.00017","2.86048","","2.86048","","90","","90","","90","","23.4054","0.0014","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113929","8.00318","0.00013","3.92013","0.00007","7.64047","0.00013","90","","90","","90","","239.708","0.007","","","","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba2 Fe4 Nd2 O10 -","2","0.5","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113930","8.0039","0.0014","7.841","0.0029","15.2824","0.0026","90","","90","","90","","959.1","0.4","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe -","- Fe16 -","16","4","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:47",""
"4113931","2.86284","0.00023","2.86284","","2.86284","","90","","90","","90","","23.4634","0.0019","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113932","3.96584","0.00006","3.95339","0.00005","7.64046","0.00011","90","","90","","90","","119.791","0.003","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113933","7.9339","0.0013","7.9035","0.0033","15.2801","0.002","90","","90","","90","","958.1","0.4","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe -","- Fe16 -","16","4","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:47",""
"4113934","3.969451","0.000032","3.958035","0.000032","7.64849","0.00007","90","","90","","90","","120.167","0.0018","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113935","7.9398","0.0017","7.9197","0.0034","15.2933","0.0024","90","","90","","90","","961.7","0.5","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe -","- Fe16 -","16","4","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:47",""
"4113936","2.86661","0.00022","2.86661","","2.86661","","90","","90","","90","","23.5562","0.0018","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113937","3.97079","0.00004","3.96456","0.00004","7.6583","0.00006","90","","90","","90","","120.56","0.002","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113938","7.9423","0.0025","7.937","0.005","15.3127","0.0032","90","","90","","90","","965.3","0.7","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe -","- Fe16 -","16","4","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:47",""
"4113939","3.97431","0.00004","3.96949","0.00004","7.66813","0.00005","90","","90","","90","","120.972","0.0019","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","- Ba Fe2 Nd O5 -","1","0.125","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113940","7.948","0.004","7.94","0.009","15.336","0.007","90","","90","","90","","967.8","1.3","","","","","","","","","","","","1","P 21 m a","P -2a 2a","26","","","","- Fe -","- Fe -","- Fe16 -","16","4","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:47",""
"4113941","2.87142","0.0002","2.87142","","2.87142","","90","","90","","90","","23.675","0.0016","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113942","9.218","0.0013","16.162","0.002","15.474","0.002","90","","92.584","0.002","90","","2303","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Cl N2 Zr -","- C21 H39 Cl N2 Zr -","- C84 H156 Cl4 N8 Zr4 -","4","1","","Yonghui Zhang; Richard J. Keaton; Lawrence R. Sita","A Case for Asymmetric Hydrozirconation","Journal of the American Chemical Society","2003","125","","8746","8747","10.1021/ja0349453","","","0.71073","MoKα","","0.0223","0.0208","","","0.0534","0.0544","","","","","","1.085","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113943","9.2208","0.0017","16.508","0.003","15.73","0.003","90","","92.469","0.003","90","","2392.2","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 Cl N2 Zr -","- C22 H41 Cl N2 Zr -","- C88 H164 Cl4 N8 Zr4 -","4","1","","Yonghui Zhang; Richard J. Keaton; Lawrence R. Sita","A Case for Asymmetric Hydrozirconation","Journal of the American Chemical Society","2003","125","","8746","8747","10.1021/ja0349453","","","0.71073","MoKα","","0.0306","0.025","","","0.0654","0.0686","","","","","","1.053","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113944","10.1335","0.0003","16.8281","0.0005","16.715","0.0005","90","","98.441","0.001","90","","2819.49","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Cl N2 Si Zr -","- C26 H43 Cl N2 Si Zr -","- C104 H172 Cl4 N8 Si4 Zr4 -","4","1","","Yonghui Zhang; Richard J. Keaton; Lawrence R. Sita","A Case for Asymmetric Hydrozirconation","Journal of the American Chemical Society","2003","125","","8746","8747","10.1021/ja0349453","","","0.71073","MoKα","","0.0267","0.023","","","0.0599","0.0624","","","","","","1.078","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113945","10.2651","0.0004","16.8449","0.0006","17.0772","0.0007","73.56","0.001","87.602","0.001","88.904","0.001","2829.61","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H48 Cl N3 Zr -","- C26 H48 Cl N3 Zr -","- C104 H192 Cl4 N12 Zr4 -","4","2","","Yonghui Zhang; Richard J. Keaton; Lawrence R. Sita","A Case for Asymmetric Hydrozirconation","Journal of the American Chemical Society","2003","125","","8746","8747","10.1021/ja0349453","","","0.71073","MoKα","","0.043","0.0302","","","0.0774","0.0847","","","","","","1.085","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113946","9.1732","0.0013","10.4607","0.0014","10.4726","0.0014","62.126","0.002","85.744","0.003","71.673","0.002","840.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H32 F -","- C48 H32 F -","- C48 H32 F -","1","0.5","","Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay","Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms","Journal of the American Chemical Society","2003","125","","8827","8837","10.1021/ja035274b","","","0.71073","MoKα","","0.0489","0.0407","","","0.1095","0.115","","","","","","1.078","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113947","8.464","0.002","9.475","0.003","14.53","0.004","78.232","0.005","76.32","0.005","74.486","0.005","1078.6","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H44 F -","- C60 H44 F -","- C60 H44 F -","1","0.5","","Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay","Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms","Journal of the American Chemical Society","2003","125","","8827","8837","10.1021/ja035274b","","","0.71073","MoKα","","0.065","0.0414","","","0.0929","0.1013","","","","","","0.927","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113948","15.812","0.003","20.338","0.004","10.741","0.002","90","","94.226","0.004","90","","3444.7","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C49 H33 N -","- C49 H33 N -","- C196 H132 N4 -","4","1","","Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay","Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms","Journal of the American Chemical Society","2003","125","","8827","8837","10.1021/ja035274b","","","0.71073","MoKα","","0.0638","0.0557","","","0.1472","0.1521","","","","","","1.045","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113949","8.4502","0.0011","9.4905","0.0012","14.6741","0.0019","79.925","0.002","74.716","0.002","76.347","0.002","1095.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H44 N O2 -","- C60 H44 N O2 -","- C60 H44 N O2 -","1","0.5","","Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay","Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms","Journal of the American Chemical Society","2003","125","","8827","8837","10.1021/ja035274b","","","0.71073","MoKα","","0.0603","0.0534","","","0.1376","0.1426","","","","","","1.037","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113950","9.2966","0.0016","10.5467","0.0018","10.5979","0.0018","62.706","0.003","71.071","0.003","84.875","0.003","871.3","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H35 N -","- C48 H34 N -","- C48 H34 N -","1","0.5","","Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay","Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms","Journal of the American Chemical Society","2003","125","","8827","8837","10.1021/ja035274b","","","0.71073","MoKα","","0.0674","0.0389","","","0.0966","0.1068","","","","","","1.008","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113951","16.3301","0.0008","6.0079","0.0003","19.615","0.001","90","","107.257","0.001","90","","1837.79","0.16","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C92 H76 Cl4 O8 -","4","1","","Satoshi Matsumura; Yasunari Maeda; Takahiro Nishimura; Sakae Uemura","Palladium-Catalyzed Asymmetric Arylation, Vinylation, and Allenylation of tert-Cyclobutanols via Enantioselective C-C Bond Cleavage","Journal of the American Chemical Society","2003","125","","8862","8869","10.1021/ja035293l","","","0.7107","MoKα","","","0.036","","","","0.035","","","","","","1.074","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113952","20.812","0.0006","5.8624","0.0002","33.049","0.001","90","","101.782","0.0007","90","","3947.3","0.2","296.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl O2 -","- C24 H21 Cl O2 -","- C192 H168 Cl8 O16 -","8","1","","Satoshi Matsumura; Yasunari Maeda; Takahiro Nishimura; Sakae Uemura","Palladium-Catalyzed Asymmetric Arylation, Vinylation, and Allenylation of tert-Cyclobutanols via Enantioselective C-C Bond Cleavage","Journal of the American Chemical Society","2003","125","","8862","8869","10.1021/ja035293l","","","0.7107","MoKα","","","0.04","","","","0.043","","","","","","0.854","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113953","13.065","0.002","14.977","0.003","21.809","0.004","90","","90","","90","","4267.5","1.3","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 Cl2 N2 Ni O2 -","- C15.1111 H26.6667 Cl1.77778 N1.77778 Ni0.888889 O1.77778 -","- C136 H240 Cl16 N16 Ni8 O16 -","9","2.25","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.1003","0.0714","","","0.1337","0.1433","","","","","","1.096","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113954","9.5084","0.0013","11.7595","0.0016","24.704","0.004","90","","95.202","0.003","90","","2750.9","0.7","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H60 F12 N4 Ni2 O16 S4 -","- C38 H60 F12 N4 Ni2 O16 S4 -","- C76 H120 F24 N8 Ni4 O32 S8 -","2","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0404","0.0347","","","0.0776","0.0829","","","","","","1.003","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113955","9.5295","0.0009","12.2497","0.0012","25.703","0.003","90","","90","","90","","3000.4","0.5","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 F6 N2 Ni O10 S2 -","- C19 H30 F6 N2 Ni O10 S2 -","- C76 H120 F24 N8 Ni4 O40 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0801","0.0677","","","0.1499","0.1556","","","","","","1.169","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113956","8.0746","0.0008","12.0053","0.0008","15.3059","0.0012","90","","90","","90","","1483.7","0.2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 S2 -","- C14 H17 N O2 S2 -","- C56 H68 N4 O8 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0466","0.0403","","","0.108","0.1135","","","","","","0.87","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113957","9.046","0.0013","12.5033","0.0018","14.244","0.002","90","","90","","90","","1611.1","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 S2 -","- C17 H17 N O2 S2 -","- C68 H68 N4 O8 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0443","0.0405","","","0.1086","0.1112","","","","","","1.019","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113958","7.685","0.001","8.4184","0.0011","11.5718","0.0015","90","","91.589","0.002","90","","748.35","0.17","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl N O2 S2 -","- C13 H14 Cl N O2 S2 -","- C26 H28 Cl2 N2 O4 S4 -","2","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.041","0.0366","","","0.0941","0.0973","","","","","","1.055","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113959","5.286","0.0008","7.6575","0.0011","29.617","0.004","90","","90","","90","","1198.8","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O2 S2 -","- C10 H15 N O2 S2 -","- C40 H60 N4 O8 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0386","0.0375","","","0.104","0.1054","","","","","","1.106","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113960","10.963","0.0017","21.074","0.004","13.47","0.003","90","","103.575","0.004","90","","3025.1","1","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 -","- C43 H34 -","- C172 H136 -","4","1","","Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei","Synthesis, Structure, and Evaluation of the Effect of Multiple Stacking on the Electron-Donor Properties of π-Stacked Polyfluorenes","Journal of the American Chemical Society","2003","125","","8712","8713","10.1021/ja035518s","","","0.71073","MoKα","","0.1189","0.0588","","","0.1338","0.1498","","","","","","1.006","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113961","15.5455","0.0015","16.0998","0.0016","17.0201","0.0017","90","","107.628","0.002","90","","4059.8","0.7","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 -","- C58 H48 -","- C232 H192 -","4","1","","Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei","Synthesis, Structure, and Evaluation of the Effect of Multiple Stacking on the Electron-Donor Properties of π-Stacked Polyfluorenes","Journal of the American Chemical Society","2003","125","","8712","8713","10.1021/ja035518s","","","0.71073","MoKα","","0.062","0.0463","","","0.1132","0.1238","","","","","","0.973","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113962","15.495","0.007","12.092","0.006","20.25","0.01","90","","102.751","0.008","90","","3701","3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 B2 Cu2 F8 N4 Ni2 S4 -","- C24 H52 B2 Cu2 F8 N4 Ni2 S4 -","- C96 H208 B8 Cu8 F32 N16 Ni8 S16 -","4","1","","Rachel C. Linck; Cameron W. Spahn; Thomas B. Rauchfuss; Scott R. Wilson","Structural Analogues of the Bimetallic Reaction Center in Acetyl CoA Synthase: A Ni-Ni Model with Bound CO","Journal of the American Chemical Society","2003","125","","8700","8701","10.1021/ja035606c","","","0.71073","MoKα","","0.0511","0.0377","","","0.093","0.0982","","","","","","1.034","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113963","17.858","0.004","10.954","0.002","24.49","0.005","90","","91.969","0.004","90","","4787.8","1.7","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H70 B Cu N3 Ni P S2 -","- C47 H70 B Cu N3 Ni P S2 -","- C188 H280 B4 Cu4 N12 Ni4 P4 S8 -","4","1","","Rachel C. Linck; Cameron W. Spahn; Thomas B. Rauchfuss; Scott R. Wilson","Structural Analogues of the Bimetallic Reaction Center in Acetyl CoA Synthase: A Ni-Ni Model with Bound CO","Journal of the American Chemical Society","2003","125","","8700","8701","10.1021/ja035606c","","","0.71073","MoKα","","0.1718","0.065","","","0.1046","0.1292","","","","","","0.932","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4113964","7.9606","0.0018","9.922","0.002","20.38","0.005","97.257","0.004","95.754","0.004","96.484","0.004","1575.9","0.6","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H53 Cu N3 Ni O2 P S2 -","- C25 H53 Cu N3 Ni O2 P S2 -","- C50 H106 Cu2 N6 Ni2 O4 P2 S4 -","2","1","","Rachel C. Linck; Cameron W. Spahn; Thomas B. Rauchfuss; Scott R. Wilson","Structural Analogues of the Bimetallic Reaction Center in Acetyl CoA Synthase: A Ni-Ni Model with Bound CO","Journal of the American Chemical Society","2003","125","","8700","8701","10.1021/ja035606c","","","0.71073","MoKα","","0.0325","0.0264","","","0.0652","0.0679","","","","","","1.051","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113965","16.743","0.006","9.407","0.004","19.014","0.007","90","","108.521","0.006","90","","2839.6","1.9","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 N4 Ni O2 S2 -","- C24 H52 N4 Ni O2 S2 -","- C96 H208 N16 Ni4 O8 S8 -","4","0.5","","Rachel C. Linck; Cameron W. Spahn; Thomas B. Rauchfuss; Scott R. Wilson","Structural Analogues of the Bimetallic Reaction Center in Acetyl CoA Synthase: A Ni-Ni Model with Bound CO","Journal of the American Chemical Society","2003","125","","8700","8701","10.1021/ja035606c","","","0.71073","MoKα","","0.029","0.0254","","","0.0638","0.0657","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113966","20.104","0.006","24.077","0.008","13.097","0.004","90","","91.362","0.006","90","","6338","3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 N4 Ni2 O4 S2 -","- C26 H52 N4 Ni2 O4 S2 -","- C208 H416 N32 Ni16 O32 S16 -","8","2","","Rachel C. Linck; Cameron W. Spahn; Thomas B. Rauchfuss; Scott R. Wilson","Structural Analogues of the Bimetallic Reaction Center in Acetyl CoA Synthase: A Ni-Ni Model with Bound CO","Journal of the American Chemical Society","2003","125","","8700","8701","10.1021/ja035606c","","","0.71073","MoKα","","0.1024","0.0621","","","0.1446","0.159","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113967","30.021","0.002","11.8606","0.0009","56.867","0.004","90","","94.857","0.001","90","","20176","2","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mo2(DAniF)3]2(mu-cyanurateH),C6H5Cl,Et2O","","","- C103 H106 Cl Mo4 N15 O16 -","- C103 H106 Cl Mo4 N15 O16 -","- C824 H848 Cl8 Mo32 N120 O128 -","8","1","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.0992","0.0727","","","0.1539","0.1699","","","","","","1.088","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113968","11.014","0.0008","15.3541","0.0011","17.8103","0.0012","64.94","0.001","87.207","0.001","86.798","0.001","2723.1","0.3","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C56 H64 Cl2 Mo2 N8 O8 -","- C56.016 H48.048 Cl2 Mo2 N8 O8 -","- C112.032 H96.096 Cl4 Mo4 N16 O16 -","2","1","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.0598","0.0468","","","0.1217","0.1328","","","","","","1.033","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113969","12.4674","0.0013","14.6201","0.0015","15.2751","0.0016","71.936","0.002","83.479","0.002","71.188","0.002","2505.3","0.5","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[Mo2(DAniF)3]2(mu-2,3-dioxypyrazinate),4(CH2Cl2)","","","- C98 H100 Cl8 Mo4 N14 O14 -","- C98 H100 Cl8 Mo4 N14 O14 -","- C98 H100 Cl8 Mo4 N14 O14 -","1","0.5","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.0689","0.054","","","0.1436","0.1551","","","","","","1.041","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113970","12.5325","0.0008","14.328","0.0009","15.3801","0.001","72.668","0.001","84.678","0.001","72.656","0.001","2516.4","0.3","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[Mo2(DAniF)3]2(mu-2,3-dioxyquinoxalinate),3(CH2Cl2)","","","- C101 H100 Cl6 Mo4 N14 O14 -","- C101 H100 Cl6 Mo4 N14 O14 -","- C101 H100 Cl6 Mo4 N14 O14 -","1","0.5","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.0591","0.0539","","","0.1385","0.1435","","","","","","1.079","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113971","16.581","0.003","17.679","0.003","18.365","0.003","90","","110.131","0.003","90","","5054.5","1.5","213","2","213","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","[Mo2(DAniF)3]2(mu-2,3-dicyano-5,6-dioxypyrazinate),2(CH2Cl2),Et2O","","","- C102 H104 Cl4 Mo4 N16 O15 -","- C102.262 H93.582 Cl4 Mo4 N16 O14.998 -","- C204.524 H187.164 Cl8 Mo8 N32 O29.996 -","2","0.5","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.0833","0.0671","","","0.1547","0.1668","","","","","","1.142","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113972","10.613","0.002","24.806","0.004","33.84","0.002","90","","90.717","0.01","90","","8908","2","213","2","213","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H92 Mo4 N14 O14 -","- C94 H92 Mo4 N14 O14 -","- C376 H368 Mo16 N56 O56 -","4","1","","F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu","Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures","Journal of the American Chemical Society","2003","125","","8900","8910","10.1021/ja0358044","","","0.71073","MoKα","","0.072","0.0524","","0.143","0.1176","","","","1.102","1.076","1.076","","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113973","9.4928","0.0002","15.1888","0.0005","13.5344","0.0004","90","","91","","90","","1951.15","0.1","183.2","","183.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H53 Br Fe O P2 Pd -","- C42 H53 Br Fe O P2 Pd -","- C84 H106 Br2 Fe2 O2 P4 Pd2 -","2","1","","Amy H. Roy; John F. Hartwig","Oxidative Addition of Aryl Tosylates to Palladium(0) and Coupling of Unactivated Aryl Tosylates at Room Temperature","Journal of the American Chemical Society","2003","125","","8704","8705","10.1021/ja035835z","","","0.7107","MoKalpha","","","0.0421","","","0.0414","","","","","1.366","1.366","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113974","22.412","0.005","24.106","0.005","16.388","0.003","90","","90","","90","","8854","3","183","2","183","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C44.5 H71 Br Fe O P2 Pd -","- C38 H57 Br Fe P2 Pd -","- C304 H456 Br8 Fe8 P16 Pd8 -","8","1","","Amy H. Roy; John F. Hartwig","Oxidative Addition of Aryl Tosylates to Palladium(0) and Coupling of Unactivated Aryl Tosylates at Room Temperature","Journal of the American Chemical Society","2003","125","","8704","8705","10.1021/ja035835z","","","0.71073","MoKα","","0.0546","0.041","","","0.1095","0.1184","","","","","","0.843","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113975","18.029","0.0006","16.2315","0.0006","9.5547","0.0004","90","","90","","90","","2796.07","0.18","273.2","","273.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H43 P3 Ru Si2 -","- C21 P3 Ru Si2 -","- C84 P12 Ru4 Si8 -","4","1","","Vladimir K. Dioumaev; Bok R. Yoo; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Structure and Reactivity of Bis(silyl) Dihydride Complexes (PMe3)3Ru(SiR3)2(H)2: Model Compounds and Real Intermediates in a Dehydrogenative C-Si Bond Forming Reaction","Journal of the American Chemical Society","2003","125","","8936","8948","10.1021/ja035916v","","","0.7107","MoKalpha","","","0.042","","","0.05","","","","","1.58","1.58","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113976","14.1488","0.0001","18.5561","0.0003","9.9845","0.0001","90","","93.059","0.001","90","","2617.66","0.05","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H47 P3 Ru Si2 -","- C15 H47 P3 Ru Si2 -","- C60 H188 P12 Ru4 Si8 -","4","1","","Vladimir K. Dioumaev; Bok R. Yoo; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Structure and Reactivity of Bis(silyl) Dihydride Complexes (PMe3)3Ru(SiR3)2(H)2: Model Compounds and Real Intermediates in a Dehydrogenative C-Si Bond Forming Reaction","Journal of the American Chemical Society","2003","125","","8936","8948","10.1021/ja035916v","","","0.71069","MoKα","","0.0456","0.0426","","0.1127","0.1103","","","","1.127","1.134","1.134","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113977","35.9187","0.0005","9.321","0.0001","16.1099","0.0001","90","","114.123","0.001","90","","4922.55","0.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H45 P3 Ru Si2 -","- C15 H45 P3 Ru Si2 -","- C120 H360 P24 Ru8 Si16 -","8","1","","Vladimir K. Dioumaev; Bok R. Yoo; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Structure and Reactivity of Bis(silyl) Dihydride Complexes (PMe3)3Ru(SiR3)2(H)2: Model Compounds and Real Intermediates in a Dehydrogenative C-Si Bond Forming Reaction","Journal of the American Chemical Society","2003","125","","8936","8948","10.1021/ja035916v","","","0.71069","MoKα","","0.0507","0.0445","","0.1107","0.1065","","","","1.103","1.113","1.113","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113978","10.7105","0.0012","9.501","0.001","13.889","0.002","90","","103.16","0.02","90","","1376.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 N4 Ni -","- C28 H44 N4 Ni -","- C56 H88 N8 Ni2 -","2","0.5","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.1236","0.1058","","","0.2363","0.2435","","","","","","1.21","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113979","9.6222","0.0006","10.288","0.0006","11.5222","0.0008","74.3","0.01","75.88","0.01","62.74","0.01","966.46","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N4 Ni -","- C24 H20 N4 Ni -","- C48 H40 N8 Ni2 -","2","1","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.0623","0.0401","","0.0987","0.0858","","","","1.024","1.079","1.079","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113980","9.5312","0.0006","10.2585","0.0006","11.7914","0.0006","73.74","0.01","75.84","0.01","63.36","0.01","979.73","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N4 Pd -","- C24 H20 N4 Pd -","- C48 H40 N8 Pd2 -","2","1","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.0536","0.0331","","0.0807","0.0714","","","","1.009","1.051","1.051","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113981","9.5122","0.0009","10.2317","0.0009","11.793","0.001","73.7","0.01","75.82","0.01","63.35","0.01","975.07","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N4 Pt -","- C24 H20 N4 Pt -","- C48 H40 N8 Pt2 -","2","1","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.0787","0.0336","","0.0785","0.0677","","","","0.977","1.151","1.151","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113982","10.4103","0.0009","10.4924","0.0009","16.2202","0.0012","104.21","0.02","101.48","0.02","102.03","0.02","1620.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H105 Cl2 N9 Ni2 O5 -","- C60 H101 Cl2 N9 Ni2 O5 -","- C60 H101 Cl2 N9 Ni2 O5 -","1","0.5","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.0946","0.0634","","0.1665","0.1467","","","","1.04","1.086","1.086","","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113983","10.4524","0.0004","15.2095","0.0008","14.9194","0.0008","90","","98.982","0.006","90","","2342.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 F3 N4 O3 Pt S -","- C25 H20 F3 N4 O3 Pt S -","- C100 H80 F12 N16 O12 Pt4 S4 -","4","1","","Diran Herebian; Eberhard Bothe; Frank Neese; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal-Metal Bonds","Journal of the American Chemical Society","2003","125","","9116","9128","10.1021/ja030123u","","","0.71073","MoKα","","0.0411","0.0301","","0.068","0.0636","","","","1.017","1.046","1.046","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113984","15.3076","0.0009","14.6049","0.0009","27.4736","0.0018","90","","90","","90","","6142.2","0.7","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H26 O2 -","- C17 O2 -","- C272 O32 -","16","4","","Huan Wang; Jie Huang; William D. Wulff; Arnold L. Rheingold","The First Examples of a Meta-Benzannulation from the Reaction of Fischer Carbene Complexes with Alkynes","Journal of the American Chemical Society","2003","125","","8980","8981","10.1021/ja035428n","","","0.71073","MoKα","","0.2128","0.1449","","","0.351","0.3742","","","","","","2.055","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113985","9.5433","0.0003","12.2238","0.0004","16.8938","0.0005","90","","91.736","0.002","90","","1969.85","0.11","154.2","","154.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H35 Fe N P4 -","- C12 H35 Fe N P4 -","- C48 H140 Fe4 N4 P16 -","4","1","","Daniel J. Fox; Robert G. Bergman","Synthesis of a First-Row Transition Metal Parent Amido Complex and Carbon Monoxide Insertion into the Amide N-H Bond","Journal of the American Chemical Society","2003","125","","8984","8985","10.1021/ja035707a","","","0.7107","MoKα","","0.0822","0.0469","","","0.0516","0.0553","","","","","","1.745","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113986","29.11","0.003","14.188","0.002","11.25","0.001","90","","98.222","0.002","90","","4598.6","0.9","158.2","","158.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H37 Fe N O P4 -","- C16.5 H37 Fe N O P4 -","- C132 H296 Fe8 N8 O8 P32 -","8","1","","Daniel J. Fox; Robert G. Bergman","Synthesis of a First-Row Transition Metal Parent Amido Complex and Carbon Monoxide Insertion into the Amide N-H Bond","Journal of the American Chemical Society","2003","125","","8984","8985","10.1021/ja035707a","","","0.7107","MoKα","","0.08","0.0371","","","0.0419","0.0475","","","","","","1.31","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113987","10.2704","0.0019","11.857","0.002","12.554","0.002","86.381","0.003","82.483","0.003","74.544","0.003","1460.2","0.4","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H49 Ge I Si4 -","- C20 H49 Ge I Si4 -","- C40 H98 Ge2 I2 Si8 -","2","1","","Karla A. Miller; Jeffrey M. Bartolin; Rory M. O'Neill; Ryan D. Sweeder; Thomas M. Owens; Jeff W. Kampf; Mark M. Banaszak Holl; Norman J. Wells","C-H Activation of Ethers and Alkanes by Germylene-Aryl Halide Complexes","Journal of the American Chemical Society","2003","125","","8986","8987","10.1021/ja0357285","","","0.71073","MoKα","","0.0188","0.0178","","","0.0484","0.049","","","","","","1.047","","","","has coordinates,has disorder","178910","2020-10-21","18:00:00",""
"4113988","8.66","0.0003","13.241","0.0006","13.1402","0.0008","90","","109.381","0.002","90","","1421.36","0.12","153","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O2 S3 -","- C12 H22 O2 S3 -","- C48 H88 O8 S12 -","4","1","","Sanae Tanaka; Yoshiaki Sugihara; Akira Sakamoto; Akihiko Ishii; Juzo Nakayama","The Thiosulfinyl Group Serves as a Stereogenic Center and Shows Diamagnetic Anisotropy Similar to That of the Sulfinyl Group","Journal of the American Chemical Society","2003","125","","9024","9025","10.1021/ja035892s","","","0.71073","MoKα","","0.0461","0.0337","","","0.0839","0.0883","","","","","","1.033","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113989","8.82","0.0004","8.425","0.0004","19.442","0.0012","90","","90.198","0.002","90","","1444.7","0.13","153","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O2 S3 -","- C12 H22 O2 S3 -","- C48 H88 O8 S12 -","4","1","","Sanae Tanaka; Yoshiaki Sugihara; Akira Sakamoto; Akihiko Ishii; Juzo Nakayama","The Thiosulfinyl Group Serves as a Stereogenic Center and Shows Diamagnetic Anisotropy Similar to That of the Sulfinyl Group","Journal of the American Chemical Society","2003","125","","9024","9025","10.1021/ja035892s","","","0.71073","MoKα","","0.0767","0.0606","","","0.1779","0.1894","","","","","","1.069","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113990","8.622","0.0003","13.806","0.0005","24.82","0.0011","90","","90","","90","","2954.5","0.2","153","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C12 H22 O3 S3 -","- C12 H22 O3 S3 -","- C96 H176 O24 S24 -","8","1","","Sanae Tanaka; Yoshiaki Sugihara; Akira Sakamoto; Akihiko Ishii; Juzo Nakayama","The Thiosulfinyl Group Serves as a Stereogenic Center and Shows Diamagnetic Anisotropy Similar to That of the Sulfinyl Group","Journal of the American Chemical Society","2003","125","","9024","9025","10.1021/ja035892s","","","0.71073","MoKα","","0.0591","0.046","","","0.1228","0.1284","","","","","","0.984","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4113991","6.9308","0.0018","7.6574","0.0019","33.874","0.009","90","","92.563","0.006","90","","1796","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","P. Andrew Evans; David K. Leahy","Regioselective and Enantiospecific Rhodium-Catalyzed Allylic Alkylation Reactions Using Copper(I) Enolates: Synthesis of (-)-Sugiresinol Dimethyl Ether","Journal of the American Chemical Society","2003","125","","8974","8975","10.1021/ja035983p","","","0.71073","MoKα","","0.0656","0.0555","","","0.1249","0.1296","","","","","","1.171","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113992","11.8091","0.0005","18.3006","0.0007","17.807","0.001","90","","103.656","0.001","90","","3739.5","0.3","273.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 F3 O4 P2 Pd S -","- C40 H35 F3 O4 P2 Pd S -","- C160 H140 F12 O16 P8 Pd4 S4 -","4","1","","Sensuke Ogoshi; Masaki Morita; Hideo Kurosawa","Synthesis, Structure, and Reactivity of a η3-1-Hydroxyallyl Complex: Protonation of an α,β-Unsaturated Carbonyl Compound Bound to Palladium(0) and Platinum(0)","Journal of the American Chemical Society","2003","125","","9020","9021","10.1021/ja0361042","","","0.7107","MoKα","","","0.07","","","","0.0931","","","","","","2.437","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113993","21.429","0.001","12.8667","0.0008","14.2909","0.0006","90","","90","","90","","3940.3","0.3","273.2","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C41 H37 F3 O4 P2 Pd S -","- C41 H37 F3 O4 P2 Pd S -","- C164 H148 F12 O16 P8 Pd4 S4 -","4","1","","Sensuke Ogoshi; Masaki Morita; Hideo Kurosawa","Synthesis, Structure, and Reactivity of a η3-1-Hydroxyallyl Complex: Protonation of an α,β-Unsaturated Carbonyl Compound Bound to Palladium(0) and Platinum(0)","Journal of the American Chemical Society","2003","125","","9020","9021","10.1021/ja0361042","","","0.7107","MoKα","","","0.0786","","","","0.1261","","","","","","3.345","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113994","16.7942","0.0001","16.7942","0.0001","16.7942","0.0001","90","","90","","90","","4736.72","0.05","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","MIL-74","","","- C24 H118 Al6 N16 O65 P12 Zn3 -","- C24 Al6 N16 O65 P12 Zn3 -","- C48 Al12 N32 O130 P24 Zn6 -","2","0.0416667","","Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey","Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment","Journal of the American Chemical Society","2003","125","","9102","9110","10.1021/ja0294818","","","0.71073","MoKα","","0.0325","0.0321","","","0.0954","0.0957","","","","","","1.203","","1101222","","has coordinates","215354","2020-10-21","18:00:00",""
"4113995","14.6533","0.0002","11.7535","0.0002","15.4973","0.0001","90","","90","","90","","2669.06","0.06","161","2","161","2","","","","","","","","4","P n a 21","P 2c -2n","33","(dppe)PtMe4","(dppe)PtMe4","","- C30 H36 P2 Pt -","- C30 H36 P2 Pt -","- C120 H144 P8 Pt4 -","4","1","","Dawn M. Crumpton-Bregel; Karen I. Goldberg","Mechanisms of C-C and C-H Alkane Reductive Eliminations from Octahedral Pt(IV): Reaction via Five-Coordinate Intermediates or Direct Elimination?","Journal of the American Chemical Society","2003","125","","9442","9456","10.1021/ja029140u","","","0.7107","MoKα","","0.0317","0.0302","","","0.0912","0.0949","","","","","","1.028","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113996","10.0224","0.0004","11.1025","0.0004","14.4028","0.0006","83.39","0.002","71.766","0.002","80.506","0.002","1497.88","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(dppbz)PtMe4","(dppbz)PtMe4","","- C34 H36 P2 Pt -","- C34 H36 P2 Pt -","- C68 H72 P4 Pt2 -","2","1","","Dawn M. Crumpton-Bregel; Karen I. Goldberg","Mechanisms of C-C and C-H Alkane Reductive Eliminations from Octahedral Pt(IV): Reaction via Five-Coordinate Intermediates or Direct Elimination?","Journal of the American Chemical Society","2003","125","","9442","9456","10.1021/ja029140u","","","0.71074","MoKα","","0.0441","0.038","","","0.0868","0.09","","","","","","1.041","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113997","10.0556","0.0001","17.0058","0.0003","16.1268","0.0003","90","","107.046","0.001","90","","2636.6","0.07","161","2","161","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(dppbz)PtMe3H","(dppbz)PtMe3H","","- C29 H34 P2 Pt -","- C29 H34 P2 Pt -","- C116 H136 P8 Pt4 -","4","1","","Dawn M. Crumpton-Bregel; Karen I. Goldberg","Mechanisms of C-C and C-H Alkane Reductive Eliminations from Octahedral Pt(IV): Reaction via Five-Coordinate Intermediates or Direct Elimination?","Journal of the American Chemical Society","2003","125","","9442","9456","10.1021/ja029140u","","","0.7107","MoKα","","0.0512","0.0352","","","0.0765","0.0824","","","","","","1.028","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113998","20.1825","0.0002","21.129","0.0005","10.016","0.0002","90","","90","","90","","4271.18","0.14","174.2","","174.2","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C45 H32 B F15 Hf Si -","- C49 H32 B F15 Hf Si -","- C196 H128 B4 F60 Hf4 Si4 -","4","1","","Aaron D. Sadow; T. Don Tilley","Cationic Hafnium Silyl Complexes and Their Enhanced Reactivity in σ-Bond Metathesis Processes with Si-H and C-H Bonds","Journal of the American Chemical Society","2003","125","","9462","9475","10.1021/ja030024g","","","0.7107","MoKα","","0.0886","0.035","","0.0441","0.032","0.032","","","","","","0.853","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113999","15.2211","0.0013","16.7155","0.0014","15.1522","0.0013","90","","98.436","0.002","90","","3813.4","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H67 Al O5 -","- C39 H67 Al O5 -","- C156 H268 Al4 O20 -","4","1","","Russell A. Stapleton; Brandon R. Galan; Scott Collins; Richard S. Simons; Jered C. Garrison; Wiley J. Youngs","Bulky Aluminum Alkyl Scavengers in Olefin Polymerization with Group 4 Catalysts","Journal of the American Chemical Society","2003","125","","9246","9247","10.1021/ja030121+","","","0.71073","MoKα","","0.0917","0.0611","","","0.1104","0.1233","","","","","","1.017","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4114000","10.9075","0.0005","30.7926","0.0015","11.7696","0.0006","90","","97.804","0.001","90","","3916.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 B F15 O Zr -","- C44 H36 B F15 O Zr -","- C176 H144 B4 F60 O4 Zr4 -","4","1","","Russell A. Stapleton; Brandon R. Galan; Scott Collins; Richard S. Simons; Jered C. Garrison; Wiley J. Youngs","Bulky Aluminum Alkyl Scavengers in Olefin Polymerization with Group 4 Catalysts","Journal of the American Chemical Society","2003","125","","9246","9247","10.1021/ja030121+","","","0.71073","MoKα","","0.033","0.0279","","","0.0706","0.0732","","","","","","1.029","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114001","7.2979","0.0007","13.937","0.003","14.381","0.003","116.3","0.01","90.02","0.01","96.97","0.01","1299.2","0.4","298.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H10 Co Cs N12 O W -","- C20 H8 Co Cs N12 O W -","- C40 H16 Co2 Cs2 N24 O2 W2 -","2","1","","Yoichi Arimoto; Shin-ichi Ohkoshi; Zhuang Jin Zhong; Hidetake Seino; Yasushi Mizobe; Kazuhito Hashimoto","Photoinduced Magnetization in a Two-Dimensional Cobalt Octacyanotungstate","Journal of the American Chemical Society","2003","125","","9240","9241","10.1021/ja030130i","","","0.7107","MoKα","","","0.033","","","","0.088","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114002","9.046","0.0002","31.573","0.0008","12.025","0.0003","90","","94.337","0.002","90","","3424.62","0.14","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris[di-tert-butyl(methyl)silyl]stannyl","","- C27 H63 Si3 Sn -","- C27 H63 Si3 Sn -","- C108 H252 Si12 Sn4 -","4","1","","Akira Sekiguchi; Tomohide Fukawa; Vladimir Ya. Lee; Masaaki Nakamoto","Tin-Centered Radical and Cation: Stable and Free","Journal of the American Chemical Society","2003","125","","9250","9251","10.1021/ja030156+","","","0.7107","MoKα","","0.0359","0.0315","","","0.0832","0.0861","","","","","","1.057","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114003","15.093","0.0003","21.047","0.0002","18.124","0.0004","90","","101.966","0.001","90","","5632.21","0.18","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris[di-tert-butyl(methyl)silyl]stannanylium tetrakis(pentafluorophenyl)borate","","- C51 H63 B F20 Si3 Sn -","- C51 H63 B F20 Si3 Sn -","- C204 H252 B4 F80 Si12 Sn4 -","4","1","","Akira Sekiguchi; Tomohide Fukawa; Vladimir Ya. Lee; Masaaki Nakamoto","Tin-Centered Radical and Cation: Stable and Free","Journal of the American Chemical Society","2003","125","","9250","9251","10.1021/ja030156+","","","0.7107","MoKα","","0.0473","0.0428","","","0.12","0.1238","","","","","","1.029","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114004","5.833","0.0007","6.029","0.001","6.24","0.001","80.372","0.008","81.533","0.01","65.942","0.008","196.8","0.05","103","1","103","1","","","","","","","","4","P -1","-P 1","2","","","","- C4 H16 B2 N2 -","- C4 H16 B2 N2 -","- C4 H16 B2 N2 -","1","0.5","","Cory A. Jaska; Karen Temple; Alan J. Lough; Ian Manners","Transition Metal-Catalyzed Formation of Boron-Nitrogen Bonds: Catalytic Dehydrocoupling of Amine-Borane Adducts to Form Aminoboranes and Borazines","Journal of the American Chemical Society","2003","125","","9424","9434","10.1021/ja030160l","","","0.7107","MoKα","","0.1209","0.0963","","","0.2866","0.3002","","","","","","1.162","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114005","7.7831","0.0002","19.9186","0.0003","10.9654","0.0007","90","","90","","90","","1699.95","0.12","150","1","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 B3 N3 -","- C18 H18 B3 N3 -","- C72 H72 B12 N12 -","4","1","","Cory A. Jaska; Karen Temple; Alan J. Lough; Ian Manners","Transition Metal-Catalyzed Formation of Boron-Nitrogen Bonds: Catalytic Dehydrocoupling of Amine-Borane Adducts to Form Aminoboranes and Borazines","Journal of the American Chemical Society","2003","125","","9424","9434","10.1021/ja030160l","","","0.71073","MoKα","","0.0318","0.0291","","","0.0702","0.0719","","","","","","1.068","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114006","31.205","0.005","12.278","0.004","22.182","0.004","90","","130.113","0.008","90","","6500","3","293.2","","293.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H39 B3 F12 N6 Rh2 S6 -","- C12 H36 B3 F12 N6 Rh2 S6 -","- C96 H288 B24 F96 N48 Rh16 S48 -","8","1","","Takumi Konno; Kazuyuki Haneishi; Masakazu Hirotsu; Tadashi Yamaguchi; Tasuku Ito; Takashi Yoshimura","The First Triple Thiol-thiolate Hydrogen Bond versus Triple Diselenide Bond That Bridges Two Metal Centers","Journal of the American Chemical Society","2003","125","","9244","9245","10.1021/ja0302331","","","0.7107","MoK?a","","0.0924","0.0517","","0.1825","","","","","1.183","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114007","13.517","0.002","13.974","0.002","16.765","0.002","90","","90","","90","","3166.7","0.8","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H39 B3 F12 N6 Rh2 S6 -","- C12 H39 B3 F12 N6 Rh2 S6 -","- C48 H156 B12 F48 N24 Rh8 S24 -","4","1","","Takumi Konno; Kazuyuki Haneishi; Masakazu Hirotsu; Tadashi Yamaguchi; Tasuku Ito; Takashi Yoshimura","The First Triple Thiol-thiolate Hydrogen Bond versus Triple Diselenide Bond That Bridges Two Metal Centers","Journal of the American Chemical Society","2003","125","","9244","9245","10.1021/ja0302331","","","0.7107","MoK?a","","0.0254","0.0243","","0.0688","","","","","0.563","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114008","13.963","0.003","10.569","0.002","16.508","0.002","90","","110.74","0.01","90","","2278.3","0.7","293.2","","293.2","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C12 H52 B6 F24 N6 O8 Rh2 Se6 -","- C12 H36 B6 F24 N6 O8 Rh2 Se6 -","- C24 H72 B12 F48 N12 O16 Rh4 Se12 -","2","0.5","","Takumi Konno; Kazuyuki Haneishi; Masakazu Hirotsu; Tadashi Yamaguchi; Tasuku Ito; Takashi Yoshimura","The First Triple Thiol-thiolate Hydrogen Bond versus Triple Diselenide Bond That Bridges Two Metal Centers","Journal of the American Chemical Society","2003","125","","9244","9245","10.1021/ja0302331","","","0.7107","MoK?a","","0.092","0.0529","","0.1761","","","","","1.135","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114009","19.082","0.008","9.551","0.004","8.2871","0.0008","90","","90","","90","","1510.3","0.9","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","potassium mercury germanium sulfide (2/3/2/8)","","- Ge2 Hg3 K2 S8 -","- Ge Hg1.5 K S4 -","- Ge8 Hg12 K8 S32 -","8","","","J.-H. Liao; G. M. Marking; K. F. Hsu; Y. Matsushita; M. D. Ewbank; R. Borwick; P. Cunningham; M. J. Rosker; M. G. Kanatzidis","α- and β-A2Hg3M2S8 (A = K, Rb; M = Ge, Sn): Polar Quaternary Chalcogenides with Strong Nonlinear Optical Response","Journal of the American Chemical Society","2003","125","","9484","9493","10.1021/ja034121l","","","0.71073","MoKα","","0.0881","0.0751","","","0.1876","0.1953","","","","","","1.132","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114010","19.5634","0.0025","9.8527","0.0013","8.4667","0.0011","90","","90","","90","","1632","0.4","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","potassium mercury tin sulfide (2/3/2/8)","","- Hg3 K2 S8 Sn2 -","- Hg1.5 K S4 Sn -","- Hg12 K8 S32 Sn8 -","8","","","J.-H. Liao; G. M. Marking; K. F. Hsu; Y. Matsushita; M. D. Ewbank; R. Borwick; P. Cunningham; M. J. Rosker; M. G. Kanatzidis","α- and β-A2Hg3M2S8 (A = K, Rb; M = Ge, Sn): Polar Quaternary Chalcogenides with Strong Nonlinear Optical Response","Journal of the American Chemical Society","2003","125","","9484","9493","10.1021/ja034121l","","","0.71073","MoKα","","0.0445","0.043","","","0.1133","0.1145","","","","","","0.964","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114011","9.5948","0.0007","8.3608","0.0006","9.6638","0.0007","90","","94.637","0.001","90","","772.69","0.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","potassium mercury germanium sulfide (2/3/2/8)","","- Ge2 Hg3 K2 S8 -","- Ge Hg1.5 K S4 -","- Ge4 Hg6 K4 S16 -","4","1","","J.-H. Liao; G. M. Marking; K. F. Hsu; Y. Matsushita; M. D. Ewbank; R. Borwick; P. Cunningham; M. J. Rosker; M. G. Kanatzidis","α- and β-A2Hg3M2S8 (A = K, Rb; M = Ge, Sn): Polar Quaternary Chalcogenides with Strong Nonlinear Optical Response","Journal of the American Chemical Society","2003","125","","9484","9493","10.1021/ja034121l","","","0.71073","MoKα","","0.0427","0.042","","","0.1108","0.1113","","","","","","0.978","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114012","12.469","0.002","12.469","0.002","12.778","0.002","90","","90","","120","","1720.5","0.5","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C55 H76 Cl2 N12 Ni6 O33 Sr -","- C55 H72 Cl2 N12 Ni6 O33.02 Sr -","- C55 H72 Cl2 N12 Ni6 O33.02 Sr -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0789","0.0397","","","0.0856","0.0952","","","","","","0.911","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114013","12.5041","0.0008","12.5041","0.0008","12.8523","0.0011","90","","90","","120","","1740.3","0.2","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C55 H76 Ba Cl2 N12 Ni6 O33 -","- C55 H72 Ba Cl2 N12 Ni6 O33.02 -","- C55 H72 Ba Cl2 N12 Ni6 O33.02 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0501","0.0277","","","0.0605","0.0669","","","","","","0.961","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114014","12.4549","0.0011","12.4549","0.0011","12.736","0.002","90","","90","","120","","1711","0.3","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Cl3 La N12 Ni6 O36 -","- C54 H72 Cl3 La N12 Ni6 O36 -","- C54 H72 Cl3 La N12 Ni6 O36 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0846","0.0748","","","0.205","0.226","","","","","","1.075","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114015","12.4792","0.0009","12.4792","0.0009","12.7432","0.0009","90","","90","","120","","1718.6","0.2","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Ce Cl3 N12 Ni6 O36 -","- C54 H72 Ce Cl3 N12 Ni6 O36 -","- C54 H72 Ce Cl3 N12 Ni6 O36 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0536","0.0358","","","0.0978","0.107","","","","","","1.023","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114016","12.4276","0.0012","12.4276","0.0012","12.753","0.002","90","","90","","120","","1705.8","0.4","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Cl3 N12 Ni6 O36 Pr -","- C54 H72 Cl3 N12 Ni6 O36.04 Pr -","- C54 H72 Cl3 N12 Ni6 O36.04 Pr -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0632","0.045","","","0.123","0.1367","","","","","","1.027","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114017","12.4749","0.0007","12.4749","0.0007","12.7257","0.0008","90","","90","","120","","1715.09","0.17","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Cl3 N12 Nd Ni6 O36 -","- C54 H72 Cl3 N12 Nd Ni6 O36 -","- C54 H72 Cl3 N12 Nd Ni6 O36 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0421","0.0339","","","0.0934","0.0991","","","","","","1.071","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114018","16.9608","0.001","16.9608","0.001","24.7593","0.0014","90","","90","","120","","6168.2","0.6","150","2","150","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C85 H125 B2 F8 N18 Na5 Ni9 O42 -","- C85.02 H90 B2 F8 N18 Na5 Ni9 O42.04 -","- C170.04 H180 B4 F16 N36 Na10 Ni18 O84.08 -","2","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.1066","0.0731","","","0.1751","0.2065","","","","","","1.234","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114019","16.764","0.002","20.095","0.002","20.617","0.002","81.121","0.002","66.353","0.002","67.274","0.002","5868.2","1.1","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C78 H112 B3 F12 Li2 N16 Na3 Ni8 O37.5 -","- C78.41 H89 B3.02 F12.0803 Li2 N16 Na3 Ni8 O37.16 -","- C156.82 H178 B6.04 F24.1606 Li4 N32 Na6 Ni16 O74.32 -","2","1","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0721","0.0584","","","0.1744","0.1926","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114020","13.222","0.002","32.678","0.005","20.272","0.003","90","","96.125","0.003","90","","8709","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58.85 H91.4 Cl2 Li4 N12 Ni6 O37.85 -","- C58.85 H60 Cl2.125 Li4 N12 Ni6 O38.35 -","- C235.4 H240 Cl8.5 Li16 N48 Ni24 O153.4 -","4","1","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.1497","0.0982","","","0.2773","0.3024","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114021","15.821","0.004","20.344","0.005","30.792","0.007","90","","95.492","0.005","90","","9865","4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H123 Cs2 I2 N12 Ni6 O45.25 -","- C58 H88 Cs2 I2 N12 Ni6 O45.26 -","- C232 H352 Cs8 I8 N48 Ni24 O181.04 -","4","0.5","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0963","0.0534","","","0.128","0.1515","","","","","","1.02","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114022","17.008","0.002","17.008","0.002","25.054","0.005","90","","90","","120","","6276.5","1.6","203","2","203","2","","","","","","","","7","P -3","-P 3","147","","","","- C84 H124 Cl3 N18 Na4 Ni9 O53.5 -","- C84 H108 Cl3 N18 Na4.01 Ni9 O53.45 -","- C168 H216 Cl6 N36 Na8.02 Ni18 O106.9 -","2","0.333333","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0904","0.0696","","","0.179","0.199","","","","","","0.959","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114023","17.735","0.004","27.149","0.005","28.936","0.006","90","","100.22","0.03","90","","13711","5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92.5 H150.3 Cl4 N18 Na4 Ni9 O61.65 -","- C92.5 H121 Cl4 N18 Na4 Ni9 O61.66 -","- C370 H484 Cl16 N72 Na16 Ni36 O246.64 -","4","1","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0678","0.0549","","","0.153","0.163","","","","","","1.04","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4114024","5.51","0.01","12.59","0.01","14.17","0.01","83.3","0.1","72.61","0.1","81.11","0.1","924","2","","","","","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C38 H52 N10 O5 -","- C38 H52 N10 O5 -","- C38 H52 N10 O5 -","1","1","","W. Seth Horne; C. David Stout; M. Reza Ghadiri","A Heterocyclic Peptide Nanotube","Journal of the American Chemical Society","2003","125","","9372","9376","10.1021/ja034358h","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114025","14.004","0.001","18.397","0.005","25.62","0.004","90","","101.269","0.01","90","","6473","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76.25 H78.5 Cl0.5 Fe2 P4 -","- C76.25 H78.5 Cl0.5 Fe2 P4 -","- C305 H314 Cl2 Fe8 P16 -","4","1","","Haijun Jiao; Karine Costuas; John A. Gladysz; Jean-François Halet; Maud Guillemot; Loic Toupet; Frédéric Paul; Claude Lapinte","Bonding and Electronic Structure in Consanguineous and Conjugal Iron and Rhenium sp Carbon Chain Complexes [MC4M']n+: Computational Analyses of the Effect of the Metal","Journal of the American Chemical Society","2003","125","","9511","9522","10.1021/ja034619n","","","0.71069","MoKα","","0.0931","0.0451","","","0.1077","0.1235","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114026","39.3","0.006","37.74","0.006","25.965","0.004","90","","104.308","0.003","90","","37316","10","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C117.75 H88 B2 F39.5 N24.5 O46.63 Pd6 S10.5 -","- C118.15 H88 B2 F39.5 N24.5 O46.8 Pd6 S10.5 -","- C945.2 H704 B16 F316 N196 O374.4 Pd48 S84 -","8","1","","Jean-Pascal Bourgeois; Makoto Fujita; Masaki Kawano; Shigeru Sakamoto; Kentaro Yamaguchi","A Cationic Guest in a 24+ Cationic Host","Journal of the American Chemical Society","2003","125","","9260","9261","10.1021/ja0349002","","","0.71073","MoKα","","0.2531","0.1087","","","0.2922","0.3994","","","","","","1.145","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114027","10.831","0.002","13.165","0.002","14.474","0.003","93.03","0.014","93.74","0.015","105.361","0.015","1980.6","0.6","100","","100","","","","","","","","?","6","P -1","-P 1","2","","","","- C75 H104 F12 N2 O25 P2 -","- C75 H104 F12 N2 O25 P2 -","- C75 H104 F12 N2 O25 P2 -","1","0.5","","Feihe Huang; Harry W. Gibson; William S. Bryant; Devdatt S. Nagvekar; Frank R. Fronczek","First Pseudorotaxane-Like [3]Complexes Based on Cryptands and Paraquat: Self-Assembly and Crystal Structures","Journal of the American Chemical Society","2003","125","","9367","9371","10.1021/ja034968h","","","0.71073","MoKα","","0.1159","0.047","","0.1014","0.0766","0.0766","","","","","","0.9627","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114028","13.298","0.002","13.641","0.001","15.622","0.001","94.485","0.007","101.04","0.01","99.14","0.01","2728.7","0.5","120","","","","","","","","","","local laboratory","6","P -1","-P 1","2","","","","- C93 H152 F12 N2 O39 P2 -","- C96 H130 F12 N2 O38 P2 -","- C96 H130 F12 N2 O38 P2 -","1","0.5","","Feihe Huang; Harry W. Gibson; William S. Bryant; Devdatt S. Nagvekar; Frank R. Fronczek","First Pseudorotaxane-Like [3]Complexes Based on Cryptands and Paraquat: Self-Assembly and Crystal Structures","Journal of the American Chemical Society","2003","125","","9367","9371","10.1021/ja034968h","","","0.71073","Mo-Kα","","","0.077","","","0.086","","","","","2.89","2.89","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114029","11.199","0.003","16.08","0.003","15.882","0.003","90","","97.36","0.03","90","","2836.5","1.1","148","","148","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(dtbpe)Cu(NH2Ph)][BF4]","","- C24 H47 B Cu F4 N P2 -","- C24 H47 B Cu F4 N P2 -","- C96 H188 B4 Cu4 F16 N4 P8 -","4","1","","Elizabeth D. Blue; Amelia Davis; David Conner; T. Brent Gunnoe; Paul D. Boyle; P. S. White","Synthesis, Solid-State Crystal Structure, and Reactivity of a Monomeric Copper(I) Anilido Complex","Journal of the American Chemical Society","2003","125","","9435","9441","10.1021/ja0353659","","","0.71073","MolybdenumKα","","0.084","0.041","","0.043","0.042","","","","","1.27","1.27","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114030","11.326","0.0007","15.3216","0.0009","13.7667","0.0009","90","","112.752","0.0018","90","","2203.1","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(dtbpe)Cu(mu-Cl)]2 (5).","","- C18 H40 Cl Cu P2 -","- C18 H40 Cl Cu P2 -","- C72 H160 Cl4 Cu4 P8 -","4","1","","Elizabeth D. Blue; Amelia Davis; David Conner; T. Brent Gunnoe; Paul D. Boyle; P. S. White","Synthesis, Solid-State Crystal Structure, and Reactivity of a Monomeric Copper(I) Anilido Complex","Journal of the American Chemical Society","2003","125","","9435","9441","10.1021/ja0353659","","","0.71073","MolybdenumKα","","0.058","0.051","","0.063","0.06","","","","","2.32","2.32","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114031","19.486","0.004","14.682","0.003","21.649","0.008","90","","99.58","0.03","90","","6107","3","148","","148","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(dtbpe)Cu(NHPh) (6).","","- C29 H56 Cu N O0.5 P2 -","- C29 H56 Cu N O0.5 P2 -","- C232 H448 Cu8 N8 O4 P16 -","8","2","","Elizabeth D. Blue; Amelia Davis; David Conner; T. Brent Gunnoe; Paul D. Boyle; P. S. White","Synthesis, Solid-State Crystal Structure, and Reactivity of a Monomeric Copper(I) Anilido Complex","Journal of the American Chemical Society","2003","125","","9435","9441","10.1021/ja0353659","","","0.71073","MolybdenumKα","","0.068","0.067","","0.069","0.068","","","","","1.59","1.59","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114032","14.1221","0.0006","14.6697","0.0006","17.6379","0.0008","90","","100.274","0.002","90","","3595.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H11 N2 O10 U1.5 Zn -","- C14 H11 N2 O10 U1.5 Zn -","- C112 H88 N16 O80 U12 Zn8 -","8","1","","Wei Chen; Hong-Ming Yuan; Jia-Yu Wang; Zhao-Yue Liu; Jin-Jie Xu; Min Yang; Jie-Sheng Chen","Synthesis, Structure, and Photoelectronic Effects of a Uranium-Zinc-Organic Coordination Polymer Containing Infinite Metal Oxide Sheets","Journal of the American Chemical Society","2003","125","","9266","9267","10.1021/ja035388n","","","0.71073","MoKα","","0.0474","0.0284","","","0.0574","0.0776","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114033","10.813","0.0004","10.813","0.0004","69.271","0.003","90","","90","","120","","7014.1","0.5","183","2","183","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","PMo(O(1-MeCy))3","","","- C21 H39 Mo O3 P -","- C21 H39 Mo O3 P -","- C252 H468 Mo12 O36 P12 -","12","0.333333","","Frances H. Stephens; Joshua S. Figueroa; Paula L. Diaconescu; Christopher C. Cummins","Molybdenum-Phosphorus Triple Bond Stabilization by Ancillary Alkoxide Ligation: Synthesis and Structure of a Terminal Phosphide Tris-1-methylcyclohexanoxide Complex","Journal of the American Chemical Society","2003","125","","9264","9265","10.1021/ja0354317","","","0.71073","MoKα","","0.0394","0.0357","","","0.0958","0.0986","","","","","","1.092","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114034","18.7073","0.0008","16.8765","0.0007","18.0139","0.0007","90","","90","","90","","5687.2","0.4","183","2","183","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","(mu-P2)[Mo(N[i-Pr]Ar)(O-2,6-Me2C6H3)2]2","","","- C59 H75 Mo2 N2 O4 P2 -","- C59 H75 Mo2 N2 O4 P2 -","- C236 H300 Mo8 N8 O16 P8 -","4","0.5","","Frances H. Stephens; Joshua S. Figueroa; Paula L. Diaconescu; Christopher C. Cummins","Molybdenum-Phosphorus Triple Bond Stabilization by Ancillary Alkoxide Ligation: Synthesis and Structure of a Terminal Phosphide Tris-1-methylcyclohexanoxide Complex","Journal of the American Chemical Society","2003","125","","9264","9265","10.1021/ja0354317","","","0.71073","MoKα","","0.0536","0.04","","","0.0895","0.0955","","","","","","1.046","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114035","10.974","0.003","17.451","0.004","19.735","0.006","80.08","0.01","75.44","0.01","73.94","0.02","3493.8","1.7","100","","100","","","","","","","","?","6","P -1","-P 1","2","","","","- C114 H140 F24 N4 O38 P4 -","- C114 H140 F24 N4 O38 P4 -","- C114 H140 F24 N4 O38 P4 -","1","0.5","","Feihe Huang; Frank R. Fronczek; Harry W. Gibson","A Cryptand/Bisparaquat [3]Pseudorotaxane by Cooperative Complexation","Journal of the American Chemical Society","2003","125","","9272","9273","10.1021/ja0355877","","","0.71073","MoKα","","0.1832","0.076","","0.1269","0.0779","0.0779","","","","","","1.0585","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114036","11.4137","0.0005","18.2468","0.0011","22.1105","0.0008","90","","96.798","0.002","90","","4572.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H82 Ge N2 O2 Si4 -","- C40 H82 Ge N2 O2 Si4 -","- C160 H328 Ge4 N8 O8 Si16 -","4","1","","Takeaki Iwamoto; Hidenori Masuda; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Addition of Stable Nitroxide Radical to Stable Divalent Compounds of Heavier Group 14 Elements","Journal of the American Chemical Society","2003","125","","9300","9301","10.1021/ja0356784","","","0.71069","MoKα","","0.0947","0.0533","","","0.1391","0.1564","","","","","","1.005","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114037","20.219","0.001","10.9777","0.0005","20.4742","0.0005","90","","114.605","0.0002","90","","4131.8","0.3","173.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H76 N2 O2 Si4 Sn -","- C34 H76 N2 O2 Si4 Sn -","- C136 H304 N8 O8 Si16 Sn4 -","4","0.5","","Takeaki Iwamoto; Hidenori Masuda; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Addition of Stable Nitroxide Radical to Stable Divalent Compounds of Heavier Group 14 Elements","Journal of the American Chemical Society","2003","125","","9300","9301","10.1021/ja0356784","","","0.7107","MoKα","","","0.0228","","","","0.0587","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114038","9.533","0.002","11.79","0.001","22.226","0.003","82.566","0.004","83.421","0.005","66.981","0.002","2274.2","0.6","293.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 O2 Si10 -","- C32 H80 O2 Si10 -","- C64 H160 O4 Si20 -","2","1","","Takeaki Iwamoto; Hidenori Masuda; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Addition of Stable Nitroxide Radical to Stable Divalent Compounds of Heavier Group 14 Elements","Journal of the American Chemical Society","2003","125","","9300","9301","10.1021/ja0356784","","","0.7107","MoKα","","","0.0382","","","","0.1066","","","","","","1.035","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114039","9.114","","19.311","","9.794","","90","","99.95","","90","","1697.82","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Jonathan Clayden; Faye E. Knowles; Christel J. Menet","Stereospecific Photochemical Ring Expansion of Lithiated Benzamides","Journal of the American Chemical Society","2003","125","","9278","9279","10.1021/ja035827i","","","0.71069","MoKα","","0.0334","0.0294","","","0.0719","0.0755","","","","","","1.016","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114040","15.164","0.001","11.6439","0.0005","42.775","0.004","90","","98.969","0.001","90","","7460.4","0.9","150","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H66 O Si3 -","- C34.42 O Si3 -","- C275.36 O8 Si24 -","8","2","","Yoshihiro Kon; Jun Ogasawara; Kenkichi Sakamoto; Chizuko Kabuto; Mitsuo Kira","A Stable Silicon Congener of Highly Strained Bicyclo[3.2.0]hepta-1,3,6-triene","Journal of the American Chemical Society","2003","125","","9310","9311","10.1021/ja0359097","","","0.7107","MoKα","","","0.073","","","","0.081","","","","","","2.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114041","12.995","0.003","16.378","0.004","20.711","0.005","90","","98.177","0.004","90","","4363.2","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H48 B2 F8 N Ni P3 -","- C45 H48 B2 F8 N Ni P3 -","- C180 H192 B8 F32 N4 Ni4 P12 -","4","1","","Hongyi Hou; Peter K. Gantzel; Clifford P. Kubiak","Hydrocarbation Chemistry Proceeding from Nickel Carbenes","Journal of the American Chemical Society","2003","125","","9564","9565","10.1021/ja030108p","","","0.71073","MoKα","","0.0636","0.0487","","","0.1232","0.1337","","","","","","0.929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114042","41.974","0.004","11.92","0.0012","19.432","0.002","90","","103.237","0.002","90","","9464.1","1.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 B2 F11 N Ni O0.5 P3 -","- C48 H54 B2 F11 N Ni O0.5 P3 -","- C384 H432 B16 F88 N8 Ni8 O4 P24 -","8","1","","Hongyi Hou; Peter K. Gantzel; Clifford P. Kubiak","Hydrocarbation Chemistry Proceeding from Nickel Carbenes","Journal of the American Chemical Society","2003","125","","9564","9565","10.1021/ja030108p","","","0.71073","MoKα","","0.0906","0.0645","","","0.1856","0.2063","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114043","10.9342","0.0016","13.0238","0.0019","20.049","0.003","103.697","0.003","99.503","0.003","95.084","0.002","2711.4","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C54 H68 B2 Cl F8 N Ni O P3 -","- C54 H68 B2 Cl F8 N Ni O P3 -","- C108 H136 B4 Cl2 F16 N2 Ni2 O2 P6 -","2","1","","Hongyi Hou; Peter K. Gantzel; Clifford P. Kubiak","Hydrocarbation Chemistry Proceeding from Nickel Carbenes","Journal of the American Chemical Society","2003","125","","9564","9565","10.1021/ja030108p","","","0.71073","MoKα","","0.0933","0.0685","","","0.1836","0.197","","","","","","1.123","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114044","11.438","0.002","12.049","0.002","17.182","0.003","100.544","0.003","93.697","0.003","93.104","0.003","2317.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H54 B2 F8 N Ni P3 -","- C49 H54 B2 F8 N Ni P3 -","- C98 H108 B4 F16 N2 Ni2 P6 -","2","1","","Hongyi Hou; Peter K. Gantzel; Clifford P. Kubiak","Hydrocarbation Chemistry Proceeding from Nickel Carbenes","Journal of the American Chemical Society","2003","125","","9564","9565","10.1021/ja030108p","","","0.71073","MoKα","","0.1115","0.0703","","","0.1766","0.2016","","","","","","1.003","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114045","5.727","0.002","17.49","0.003","6.955","0.002","90","","110.2","0.02","90","","653.8","0.3","150","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C28 H42 N2 O6 -","2","1","","Marco Lerm; Hans-Joachim Gais; Kejun Cheng; Cornelia Vermeeren","Asymmetric Synthesis of the Highly Potent Anti-Metastatic Prostacyclin Analogue Cicaprost and Its Isomer Isocicaprost","Journal of the American Chemical Society","2003","125","","9653","9667","10.1021/ja030200l","","","1.54179","CuKα","","","0.09","","","","0.102","","","","","","1.208","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114046","17.2666","0.0003","22.805","0.0004","19.3648","0.0002","90","","104.291","0.001","90","","7389.2","0.2","200","1","200","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C58 H110 I3 O0.5 P6 Pt3 -","- C57.9 H109.8 I3 O0.5 P6 Pt3 -","- C231.6 H439.2 I12 O2 P24 Pt12 -","4","1","","Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang","Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms","Journal of the American Chemical Society","2003","125","","9647","9652","10.1021/ja030209n","","","0.71073","MoKα","","0.0753","0.0472","","","0.0987","0.1112","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114047","18.021","0.0003","18.021","0.0003","23.936","0.0004","90","","90","","120","","6731.94","0.19","150","1","150","1","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C54 H102 Br3 O P7 Pt3 -","- C54 H102 Br3 O P7 Pt3 -","- C216 H408 Br12 O4 P28 Pt12 -","4","0.666667","","Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang","Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms","Journal of the American Chemical Society","2003","125","","9647","9652","10.1021/ja030209n","","","0.71073","MoKα","","0.0379","0.0328","","","0.0747","0.0777","","","","","","1.049","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114048","17.7286","0.0004","15.9567","0.0005","30.9432","0.001","90","","101.233","0.002","90","","8585.8","0.4","200","1","200","1","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C59 H109 Cl2 F9 O10 P6 Pt3 S3 Si -","- C59 H107 Cl2 F9 O10 P6 Pt3 S3 Si -","- C236 H428 Cl8 F36 O40 P24 Pt12 S12 Si4 -","4","1","","Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang","Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms","Journal of the American Chemical Society","2003","125","","9647","9652","10.1021/ja030209n","","","0.71073","MoKα","","0.1179","0.0749","","","0.1693","0.1897","","","","","","1.082","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114049","7.6977","0.0008","10.5919","0.0013","12.777","0.0014","76.219","0.004","78.6","0.004","76.464","0.007","972.49","0.19","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H16 N2 -","- C28 H16 N2 -","- C56 H32 N4 -","2","1","","Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang","Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms","Journal of the American Chemical Society","2003","125","","9647","9652","10.1021/ja030209n","","","0.71073","MoKα","","0.1222","0.0669","","","0.1551","0.1898","","","","","","1.039","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114050","10.3083","0.0001","19.7382","0.0001","37.0881","0.0001","90","","92.119","0.001","90","","7541.05","0.09","173","","173","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C71.47 H58 B Cl1.42 F24 N O P Rh Si -","- C72 H58 B Cl3 F24 N O P Rh Si -","- C288 H232 B4 Cl12 F96 N4 O4 P4 Rh4 Si4 -","4","1","","Felicia L. Taw; Alexander H. Mueller; Robert G. Bergman; Maurice Brookhart","A Mechanistic Investigation of the Carbon-Carbon Bond Cleavage of Aryl and Alkyl Cyanides Using a Cationic Rh(III) Silyl Complex","Journal of the American Chemical Society","2003","125","","9808","9813","10.1021/ja034468o","","","0.71073","MolybdenumKα","","0.173","0.076","","0.117","0.083","","","","","1.89","1.89","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114051","21.047","0.004","12.394","0.003","13.721","0.003","90","","101.324","0.003","90","","3509.5","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","kw3apybr","","","- C31 H41 Br3 Cl2 N6 -","- C31 H41 Br3 Cl2 N6 -","- C124 H164 Br12 Cl8 N24 -","4","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.1162","0.0654","","","0.1286","0.1494","","","","","","1.009","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114052","12.8356","0.0002","13.5677","0.0002","40.1694","0.0007","90","","90","","90","","6995.48","0.19","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","kfs02","","","- C31 H40 Br3 N6 O -","- C31 H40 Br3 N6 O -","- C248 H320 Br24 N48 O8 -","8","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.122","0.0622","","","0.1435","0.1682","","","","","","1.03","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114053","21.801","0.004","11.741","0.002","18.512","0.004","90","","113.781","0.003","90","","4336.1","1.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H44 Cl2 F18 N6 O P3 -","- C31.5 H41 Cl2 F18 N6 O P3 -","- C126 H164 Cl8 F72 N24 O4 P12 -","4","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.2043","0.1348","","","0.2582","0.2881","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114054","9.9283","0.0003","23.4328","0.0008","16.091","0.0003","90","","95.029","0.002","90","","3729.13","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 Br3 N6 O3 -","- C33 H51 Br3 N6 O3 -","- C132 H204 Br12 N24 O12 -","4","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.0581","0.0371","","","0.0681","0.0741","","","","","","1.02","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114055","10.1837","0.0003","14.8317","0.0005","22.3545","0.0001","90","","90","","90","","3376.46","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 Br3 N3 O -","- C32 H42 Br3 N3 O -","- C128 H168 Br12 N12 O4 -","4","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.0591","0.0502","","","0.1098","0.1139","","","","","","1.05","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114056","11.8589","0.0002","16.2547","0.0003","19.7964","0.0004","84.524","0.008","77.22","0.009","86.894","0.008","3702.34","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","kfs06","","","- C34.25 H53 Br3 N3 O4.5 -","- C34.25 H36 Br3 N3 O4.5 -","- C137 H144 Br12 N12 O18 -","4","2","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.107","0.0632","","","0.157","0.1785","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114057","9.89","0.002","17.6","0.004","22.45","0.005","104.4","0.03","97.6","0.03","91.3","0.03","3745.4","1.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H77 F18 N8 O P3 -","- C80 H77 F18 N8 O P3 -","- C160 H154 F36 N16 O2 P6 -","2","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.2488","0.1881","","","0.3042","0.3269","","","","","","1.311","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114058","12.4472","0.0007","35.944","0.002","8.7929","0.0005","90","","91.507","0.001","90","","3932.6","0.4","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H71 N P2 Re Si2 -","- C36 H71 N P2 Re Si2 -","- C144 H284 N4 P8 Re4 Si8 -","4","1","","Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton","A π-Basic Rhenium Center that Effects Cyclohexene Isomerization to a β-Agostic Carbene Ligand","Journal of the American Chemical Society","2003","125","","9604","9605","10.1021/ja035165x","","","0.71073","MoKα","","0.0617","0.0415","","","0.0791","0.0849","","","","","","1.192","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114059","19.1227","0.0017","13.7054","0.0012","18.6492","0.0017","90","","105.57","0.002","90","","4708.3","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cr N O4 P -","- C25 H20 Cr N O4 P -","- C200 H160 Cr8 N8 O32 P8 -","8","1","","Miguel A. Sierra; Israel Fernández; María J. Mancheño; Mar Gómez-Gallego; M. Rosario Torres; Fernando P. Cossío; Ana Arrieta; Begoña Lecea; Ana Poveda; Jesús Jiménez-Barbero","Light-Induced Aminocarbene to Imine Dyotropic Rearrangement in a Chromium(0) Center: An Unprecedented Reaction Pathway","Journal of the American Chemical Society","2003","125","","9572","9573","10.1021/ja035614t","","","0.71073","MoKα","","0.139","0.0787","","","0.2379","0.2703","","","","","","0.998","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114060","12.2949","0.0007","14.9666","0.0008","27.1432","0.0015","90","","97.601","0.001","90","","4950.8","0.5","98","","98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H77 Cl2 N2 P Ru -","- C54.5 H77 Cl2 N2 P Ru -","- C218 H308 Cl8 N8 P4 Ru4 -","4","1","","Jennifer A. Love; Melanie S. Sanford; Michael W. Day; Robert H. Grubbs","Synthesis, Structure, and Activity of Enhanced Initiators for Olefin Metathesis","Journal of the American Chemical Society","2003","125","","10103","10109","10.1021/ja027472t","","","0.71073","MoKα","","0.0479","0.0374","","","0.0764","0.0782","","","","","","2.658","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114061","12.955","0.0007","13.7527","0.0007","25.7007","0.0013","90","","101.754","0.001","90","","4483","0.4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 Cl5 N2 P Ru -","- C49 H47 Cl5 N2 P Ru -","- C196 H188 Cl20 N8 P4 Ru4 -","4","1","","Jennifer A. Love; Melanie S. Sanford; Michael W. Day; Robert H. Grubbs","Synthesis, Structure, and Activity of Enhanced Initiators for Olefin Metathesis","Journal of the American Chemical Society","2003","125","","10103","10109","10.1021/ja027472t","","","0.71073","MoKα","","0.0969","0.0552","","","0.0803","0.0839","","","","","","1.869","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114062","23.6408","0.0007","23.6408","0.0007","45.2398","0.0019","90","","90","","120","","21896.5","1.3","98","2","98","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C53 H54 Cl2 N2 P Ru -","- C52.738 H53.738 Cl2 N2 P Ru -","- C949.284 H967.284 Cl36 N36 P18 Ru18 -","18","1","","Jennifer A. Love; Melanie S. Sanford; Michael W. Day; Robert H. Grubbs","Synthesis, Structure, and Activity of Enhanced Initiators for Olefin Metathesis","Journal of the American Chemical Society","2003","125","","10103","10109","10.1021/ja027472t","","","0.71073","MoKα","","0.0812","0.0559","","","0.1361","0.1377","","","","","","3.793","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4114063","9.8889","0.0002","28.9225","0.0006","21.2731","0.0004","90","","78.3397","0.0016","90","","5958.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mn(hfac)2(PyrimPhNIT)]2","","","- C48 H36 F24 Mn2 N6 O10 -","- C48 H27 F24 Mn2 N6 O10 -","- C192 H108 F96 Mn8 N24 O40 -","4","1","","Lora M. Field; Paul M. Lahti; Fernando Palacio; Armando Paduan-Filho","Manganese(II) and Copper(II) Hexafluoroacetylacetonate 1:1 Complexes with 5-(4-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine: Regiochemical Parity Analysis for Exchange Behavior of Complexes between Radicals and Paramagnetic Cations","Journal of the American Chemical Society","2003","125","","10110","10118","10.1021/ja0343813","","","0.71073","MoKα","","0.1678","0.1341","","","0.3377","0.3584","","","","","","2.537","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114064","13.505","0.0002","14.5352","0.0002","33.6543","0.0005","90","","100.954","0.0005","90","","6485.91","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu(hfac)2(PyrimPhNIT)]2","","","- C48 H36 Cu2 F24 N6 O10 -","- C48 H36 Cu2 F24 N6 O10 -","- C192 H144 Cu8 F96 N24 O40 -","4","0.5","","Lora M. Field; Paul M. Lahti; Fernando Palacio; Armando Paduan-Filho","Manganese(II) and Copper(II) Hexafluoroacetylacetonate 1:1 Complexes with 5-(4-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine: Regiochemical Parity Analysis for Exchange Behavior of Complexes between Radicals and Paramagnetic Cations","Journal of the American Chemical Society","2003","125","","10110","10118","10.1021/ja0343813","","","0.71073","MoKα","","0.1475","0.128","","","0.3634","0.3732","","","","","","2.798","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114065","23.594","","21.648","","23.914","","90","","114.1","","90","","11149.7","","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","non-covalent capsule","","","- C104 H144 N8 O33.5 S4 -","- C104 H144 N8 O33.5 S4 -","- C416 H576 N32 O134 S16 -","4","1","","Francesca Corbellini; Luigi Di Costanzo; Mercedes Crego-Calama; Silvano Geremia; David N. Reinhoudt","Guest Encapsulation in a Water-Soluble Molecular Capsule Based on Ionic Interactions","Journal of the American Chemical Society","2003","125","","9946","9947","10.1021/ja034535e","","","1","Synchrotron","","0.174","0.1604","","","0.4451","0.4557","","","","","","2.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114066","12.636","0.002","25.769","0.005","12.646","0.002","90","","90.035","0.01","90","","4117.8","1.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","t-Butyl-calix[4]arene","t-Butyl-calix[4]arene","","- C44 H56 O4 -","- C44 H56 O4 -","- C176 H224 O16 -","4","1","","Gary D. Enright; Konstantin A. Udachin; Igor L. Moudrakovski; John A. Ripmeester","Thermally Programmable Gas Storage and Release in Single Crystals of an Organic van der Waals Host","Journal of the American Chemical Society","2003","125","","9896","9897","10.1021/ja0351701","","","0.7107","MoKα","","0.1565","0.0641","","","0.1286","0.1522","","","","","","0.859","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114067","12.629","0.004","25.768","0.007","12.647","0.004","90","","90.003","0.005","90","","4116","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","t-Butyl-calix[4]arene*0.75Xe","t-Butyl-calix[4]arene*0.75Xe","","- C44 H56 O4 Xe0.75 -","- C44 H56 O4 Xe0.75 -","- C176 H224 O16 Xe3 -","4","1","","Gary D. Enright; Konstantin A. Udachin; Igor L. Moudrakovski; John A. Ripmeester","Thermally Programmable Gas Storage and Release in Single Crystals of an Organic van der Waals Host","Journal of the American Chemical Society","2003","125","","9896","9897","10.1021/ja0351701","","","0.7107","MoKα","","0.2466","0.2143","","","0.4749","0.4939","","","","","","1.895","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114068","15.414","0.007","25.048","0.012","23.332","0.011","90","","104.807","0.01","90","","8709","7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H92 Co4 Cs N21 Ru3 -","- C80 H92 Co4 Cs N21 Ru3 -","- C320 H368 Co16 Cs4 N84 Ru12 -","4","1","","Matthew L. Kuhlman; Thomas B. Rauchfuss","Structural Chemistry of ""Defect"" Cyanometalate Boxes: {Cs@[CpCo(CN)3]4[Cp*Ru]3} and {M@[Cp*Rh(CN)3]4[Cp*Ru]3} (M = NH4, Cs)","Journal of the American Chemical Society","2003","125","","10084","10092","10.1021/ja035253h","","","0.71073","MoKα","","0.1399","0.0651","","","0.1555","0.1882","","","","","","0.876","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114069","25.987","0.01","17.203","0.006","23.432","0.009","90","","90","","90","","10475","7","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C93 H126.5 N17.5 O0.5 Rh4 Ru3 -","- C82 H111 N13 Rh4 Ru3 -","- C328 H444 N52 Rh16 Ru12 -","4","0.5","","Matthew L. Kuhlman; Thomas B. Rauchfuss","Structural Chemistry of ""Defect"" Cyanometalate Boxes: {Cs@[CpCo(CN)3]4[Cp*Ru]3} and {M@[Cp*Rh(CN)3]4[Cp*Ru]3} (M = NH4, Cs)","Journal of the American Chemical Society","2003","125","","10084","10092","10.1021/ja035253h","","","0.71073","MoKα","","0.0355","0.0284","","","0.0672","0.0698","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114070","14.926","0.0012","48.475","0.004","16.0926","0.0012","90","","104.076","0.003","90","","11294","1.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H135 Cs N22 Rh4 Ru3 -","- C102 H135 Cs N22 Rh4 Ru3 -","- C408 H540 Cs4 N88 Rh16 Ru12 -","4","1","","Matthew L. Kuhlman; Thomas B. Rauchfuss","Structural Chemistry of ""Defect"" Cyanometalate Boxes: {Cs@[CpCo(CN)3]4[Cp*Ru]3} and {M@[Cp*Rh(CN)3]4[Cp*Ru]3} (M = NH4, Cs)","Journal of the American Chemical Society","2003","125","","10084","10092","10.1021/ja035253h","","","0.71073","MoKα","","0.1285","0.1215","","","0.2541","0.2569","","","","","","1.341","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114071","10.0838","0.0017","20.023","0.003","22.504","0.004","95.518","0.003","95.25","0.003","93.827","0.004","4490.6","1.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H88 N16 O8 Ru4 -","- C92 H72 N16 O8 Ru4 -","- C184 H144 N32 O16 Ru8 -","2","1","","Guo-Lin Xu; Gang Zou; Yu-Hua Ni; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Polyyn-diyls Capped by Diruthenium Termini: A New Family of Carbon-Rich Organometallic Compounds and Distance-Dependent Electronic Coupling Therein","Journal of the American Chemical Society","2003","125","","10057","10065","10.1021/ja035434j","","","0.71073","MoKα","","0.1594","0.0747","","","0.1852","0.2116","","","","","","0.821","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114072","10.162","0.0012","13.026","0.0015","19.802","0.002","71.838","0.002","77.106","0.002","81.344","0.002","2418.5","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H96 N16 O4 Ru4 -","- C104.38 H72 N16 O3.424 Ru4 -","- C104.38 H72 N16 O3.424 Ru4 -","1","0.5","","Guo-Lin Xu; Gang Zou; Yu-Hua Ni; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Polyyn-diyls Capped by Diruthenium Termini: A New Family of Carbon-Rich Organometallic Compounds and Distance-Dependent Electronic Coupling Therein","Journal of the American Chemical Society","2003","125","","10057","10065","10.1021/ja035434j","","","0.71073","MoKα","","0.1341","0.0677","","","0.1531","0.1917","","","","","","1.093","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114073","23.167","0.005","20.983","0.005","14.609","0.002","90","","123.415","0.008","90","","5928","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C184 H76 Cl8 Cr2 -","- C182.8 H76 Cl8 Cr2 -","- C365.6 H152 Cl16 Cr4 -","2","0.25","","Dmitri V. Konarev; Salavat S. Khasanov; Gunzi Saito; Akihiro Otsuka; Yukihiro Yoshida; Rimma N. Lyubovskaya","Formation of Single-Bonded (C60-)2 and (C70-)2 Dimers in Crystalline Ionic Complexes of Fullerenes","Journal of the American Chemical Society","2003","125","","10074","10083","10.1021/ja035546a","","","0.71073","MoKα","","0.1193","0.0808","","","0.2235","0.2591","","","","","","1.031","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114074","22.793","0.001","20.785","0.001","24.747","0.001","90","","106.387","0.003","90","","11247.7","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C368 H152 Cl16 Cr4 -","- C368 H152 Cl16 Cr4 -","- C736 H304 Cl32 Cr8 -","2","1","","Dmitri V. Konarev; Salavat S. Khasanov; Gunzi Saito; Akihiro Otsuka; Yukihiro Yoshida; Rimma N. Lyubovskaya","Formation of Single-Bonded (C60-)2 and (C70-)2 Dimers in Crystalline Ionic Complexes of Fullerenes","Journal of the American Chemical Society","2003","125","","10074","10083","10.1021/ja035546a","","","0.71073","MoKα","","0.0812","0.0508","","","0.1239","0.1469","","","","","","1.015","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114075","9.9479","0.0002","13.4003","0.0002","25.1111","0.0003","90","","90.684","0.001","90","","3347.19","0.09","223","2","223","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","[PdCl(C3H2N2tBu2)2(C6H4COOMe)].1/2C6D6)","","","- C33 H47 Cl D3 N4 O2 Pd -","- C33 H50 Cl N4 O2 Pd -","- C132 H200 Cl4 N16 O8 Pd4 -","4","1","","Alexandra K. de K. Lewis; Stephen Caddick; F. Geoffrey N. Cloke; Norman C. Billingham; Peter B. Hitchcock; John Leonard","Synthetic, Structural, and Mechanistic Studies on the Oxidative Addition of Aromatic Chlorides to a Palladium (N-Heterocyclic Carbene) Complex: Relevance to Catalytic Amination","Journal of the American Chemical Society","2003","125","","10066","10073","10.1021/ja035565k","","x-ray","0.71073","MoKα","","0.0336","0.0287","","","0.0684","0.0709","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114076","12.9986","0.0001","13.6632","0.0001","23.115","0.0002","90","","99.423","0.001","90","","4049.89","0.06","223","2","223","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","[PdCl(C6H4OMe)(C3H2N2tBu2)2].2(C6D6)","","","- C41 H47 Cl D12 N4 O Pd -","- C41 H59 Cl N4 O Pd -","- C164 H236 Cl4 N16 O4 Pd4 -","4","1","","Alexandra K. de K. Lewis; Stephen Caddick; F. Geoffrey N. Cloke; Norman C. Billingham; Peter B. Hitchcock; John Leonard","Synthetic, Structural, and Mechanistic Studies on the Oxidative Addition of Aromatic Chlorides to a Palladium (N-Heterocyclic Carbene) Complex: Relevance to Catalytic Amination","Journal of the American Chemical Society","2003","125","","10066","10073","10.1021/ja035565k","","x-ray","0.71073","MoKα","","0.0448","0.0366","","","0.0894","0.0944","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114077","10.439","0.003","35.341","0.01","17.675","0.005","90","","98.729","0.005","90","","6445","3","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound (5)","","","- C30 H36 B Ir N6 O7 -","- C30 H36 B Ir N6 O7 -","- C240 H288 B8 Ir8 N48 O56 -","8","2","","Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Verónica Salazar; Enrique Oñate; Kurt Mereiter","Formation of Unusual Iridabenzene and Metallanaphthalene Containing Electron-Withdrawing Substituents","Journal of the American Chemical Society","2003","125","","9898","9899","10.1021/ja035655p","","","0.71073","MoKα","","0.052","0.0364","","","0.0699","0.0746","","","","","","1.023","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114078","10.8289","0.0007","31.296","0.002","11.2884","0.0007","90","","103.605","0.001","90","","3718.3","0.4","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","compound (3)","","","- C34 H40 B Cl2 Ir N6 O10 -","- C34 H40 B Cl2 Ir N6 O10 -","- C136 H160 B4 Cl8 Ir4 N24 O40 -","4","1","","Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Verónica Salazar; Enrique Oñate; Kurt Mereiter","Formation of Unusual Iridabenzene and Metallanaphthalene Containing Electron-Withdrawing Substituents","Journal of the American Chemical Society","2003","125","","9898","9899","10.1021/ja035655p","","","0.71073","MoKα","","0.0699","0.0446","","","0.0905","0.0971","","","","","","0.996","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114079","11.2272","0.0014","18.882","0.002","19.527","0.003","75.816","0.002","78.055","0.002","75.87","0.002","3844","0.9","100","2","100","0.2","","","","","","","","7","P -1","-P 1","2","compound (4)","","","- C33.25 H40.5 B Cl0.5 Ir N6 O14 -","- C33.25 H40.5 B Cl0.5 Ir N6 O14 -","- C133 H162 B4 Cl2 Ir4 N24 O56 -","4","2","","Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Verónica Salazar; Enrique Oñate; Kurt Mereiter","Formation of Unusual Iridabenzene and Metallanaphthalene Containing Electron-Withdrawing Substituents","Journal of the American Chemical Society","2003","125","","9898","9899","10.1021/ja035655p","","","0.71073","MoKα","","0.091","0.042","","","0.0661","0.0731","","","","","","0.782","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114081","31.05","0.002","52.013","0.004","37.379","0.004","90","","107.013","0.005","90","","57725","9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C464 H396 F96 N96 O105 Pb16 S64 -","- C464 H396 F96 N96 O105 Pb16 S64 -","- C1856 H1584 F384 N384 O420 Pb64 S256 -","4","1","","Mihail Barboiu; Gavin Vaughan; Roland Graff; Jean-Marie Lehn","Self-Assembly, Structure, and Dynamic Interconversion of Metallosupramolecular Architectures Generated by Pb(II) Binding-Induced Unfolding of a Helical Ligand","Journal of the American Chemical Society","2003","125","","10257","10265","10.1021/ja0301929","","","0.32826","X-Rays","","0.2071","0.1248","","","0.3209","0.3663","","","","","","1.042","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114082","9.9304","0.0009","15.003","0.0014","19.6514","0.0018","90","","90","","90","","2927.8","0.5","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 B F4 P2 Rh -","- C31 H40 B F4 P2 Rh -","- C124 H160 B4 F16 P8 Rh4 -","4","1","","Garrett Hoge","Synthesis of Both Enantiomers of a P-Chirogenic 1,2-Bisphospholanoethane Ligand via Convergent Routes and Application to Rhodium-Catalyzed Asymmetric Hydrogenation of CI-1008 (Pregabalin)","Journal of the American Chemical Society","2003","125","","10219","10227","10.1021/ja034715o","","","0.71073","MoKα","","0.0336","0.0279","","","0.0698","0.072","","","","","","1.038","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114083","14.36","0.05","6.58","0.05","20.31","0.05","90","","104.3","0.2","90","","1860","16","","","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H30 B O3 P -","- C15 H25.5 B O3 P -","- C60 H102 B4 O12 P4 -","4","2","","Garrett Hoge","Synthesis of Both Enantiomers of a P-Chirogenic 1,2-Bisphospholanoethane Ligand via Convergent Routes and Application to Rhodium-Catalyzed Asymmetric Hydrogenation of CI-1008 (Pregabalin)","Journal of the American Chemical Society","2003","125","","10219","10227","10.1021/ja034715o","","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114084","8.1838","0.0006","11.4812","0.0008","20.296","0.0015","100.001","0.002","96.33","0.002","97.787","0.002","1843.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H45 Cl N12 O7 -","- C35 H45 Cl N12 O7 -","- C70 H90 Cl2 N24 O14 -","2","1","","Sung Ok Kang; José M. Llinares; Douglas Powell; David VanderVelde; Kristin Bowman-James","New Polyamide Cryptand for Anion Binding","Journal of the American Chemical Society","2003","125","","10152","10153","10.1021/ja034969+","","","0.71073","MoKα","","0.0526","0.0473","","","0.1238","0.1282","","","","","","1.01","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114085","11.2721","0.0014","20.173","0.002","23.226","0.003","90","","91.96","0.003","90","","5278.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.9 H77.89 Cl0.21 F N12.9 O6 -","- C50.8955 H77.8955 Cl0.209 F N12.8955 O6 -","- C203.582 H311.582 Cl0.836 F4 N51.582 O24 -","4","1","","Sung Ok Kang; José M. Llinares; Douglas Powell; David VanderVelde; Kristin Bowman-James","New Polyamide Cryptand for Anion Binding","Journal of the American Chemical Society","2003","125","","10152","10153","10.1021/ja034969+","","","0.71073","MoKα","","0.1023","0.0555","","","0.1289","0.1509","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114086","5.2071","0.0004","9.5194","0.0012","14.4674","0.0013","90","","99.666","0.008","90","","706.95","0.12","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H9 Br2 N -","- C3 H9 Br2 N -","- C12 H36 Br8 N4 -","4","1","","Erick Schutte; T. J. R. Weakley; David R. Tyler","Radical Cage Effects in the Photochemical Degradation of Polymers: Effect of Radical Size and Mass on the Cage Recombination Efficiency of Radical Cage Pairs Generated Photochemically from the (CpCH2CH2N(CH3)C(O)(CH2)nCH3)2Mo2(CO)6 (n= 3, 8, 18) Complexes","Journal of the American Chemical Society","2003","125","","10319","10326","10.1021/ja035030r","","","0.71073","MoKα","","0.1118","0.067","","0.141","","0.07","","","2.01","","","2.37","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114087","13.563","0.002","19.372","0.003","23.892","0.003","90","","97.22","0.02","90","","6227.7","1.6","301.2","","301.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H100 Au Cl N2 O6 P4 Pt -","- C54 H92 Au Cl N2 O8 P4 Pt -","- C216 H368 Au4 Cl4 N8 O32 P16 Pt4 -","4","1","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.7107","MoKalpha","","","0.0334","","","0.0452","","","","","1.556","1.556","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114088","24.934","0.006","18.83","0.004","26.82","0.006","90","","90","","90","","12592","5","294","2","294","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C54 H96 Ag F3 N2 O4 P4 Pt S -","- C54 H91 Ag F3 N2 O4 P4 Pt S -","- C432 H728 Ag8 F24 N16 O32 P32 Pt8 S8 -","8","1","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.71073","MoKα","","0.243","0.0612","","","0.1131","0.1416","","","","","","0.953","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114089","16.4799","0.0015","19.3868","0.0017","19.1861","0.0017","90","","94.761","0.002","90","","6108.7","0.9","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C53 H94 B Cl2 Cu F4 N2 P4 Pt -","- C53 H92 B Cl2 Cu F4 N2 P4 Pt -","- C212 H368 B4 Cl8 Cu4 F16 N8 P16 Pt4 -","4","1","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.71073","MoKα","","0.1252","0.052","","","0.1269","0.1735","","","","","","0.833","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114090","20.247","0.004","13.113","0.003","25.482","0.005","90","","108.31","0.03","90","","6423","3","301","2","301","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54 H100 Au Cl N2 O2 P4 Pd -","- C54 H90.5 Au Cl N2 O2 P4 Pd -","- C216 H362 Au4 Cl4 N8 O8 P16 Pd4 -","4","2","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.71073","MoKα","","0.0592","0.0453","","","0.1254","0.1431","","","","","","1.003","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114091","13.561","0.003","19.339","0.004","23.767","0.005","90","","97.58","0.03","90","","6179","2","301","2","301","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H100 Au Cl N2 Ni O6 P4 -","- C54 H92 Au Cl N2 Ni O6 P4 -","- C216 H368 Au4 Cl4 N8 Ni4 O24 P16 -","4","1","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.71069","MoKα","","0.057","0.0342","","","0.0915","0.1134","","","","","","0.961","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114092","7.39916","0.00013","8.65284","0.00027","13.3816","0.0004","90","","99.9122","0.0018","90","","843.95","0.04","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N10 -","- C6 H6 N10 -","- C24 H24 N40 -","4","1","","Barbara Jürgens; Elisabeth Irran; Jürgen Senker; Peter Kroll; Helen Müller; Wolfgang Schnick","Melem (2,5,8-Triamino-tri-s-triazine), an Important Intermediate during Condensation of Melamine Rings to Graphitic Carbon Nitride: Synthesis, Structure Determination by X-ray Powder Diffractometry, Solid-State NMR, and Theoretical Studies","Journal of the American Chemical Society","2003","125","","10288","10300","10.1021/ja0357689","powder diffraction","","1.5406","CuKα1","","","","","","","","","","0.94","","","","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114093","10.0476","0.0005","15.29","0.0008","17.8404","0.0009","69.177","0.001","89.916","0.001","74.787","0.001","2459.1","0.2","213","2","213","2","","","","","","","","6","P 1","P 1","1","","cis-{[bis(mu-acetato)]-bis[(mu-di(p-tolyl)formamidinato)]diruthenium(II,III) chloride(p-tolylformamidine) dichloromethane solvate","","- C44 H49 Cl5 N6 O4 Ru2 -","- C44 H49 Cl5 N6 O4 Ru2 -","- C88 H98 Cl10 N12 O8 Ru4 -","2","2","","Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges","Journal of the American Chemical Society","2003","125","","10327","10334","10.1021/ja036095x","","","0.71073","MoKα","","0.0479","0.0375","","","0.0828","0.0889","","","","","","1.021","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114094","12.2674","0.0009","19.9635","0.0014","14.324","0.001","90","","100.386","0.001","90","","3450.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-{bis(mu-acetato)-bis[mu-(para-anisylformamidinato])}diruthenium(II-III) chloride-monohydrate","","- C34 H38 Cl N4 O9 Ru2 -","- C34 H38 Cl N4 O9 Ru2 -","- C136 H152 Cl4 N16 O36 Ru8 -","4","1","","Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges","Journal of the American Chemical Society","2003","125","","10327","10334","10.1021/ja036095x","","","0.71073","MoKα","","0.0448","0.0295","","","0.066","0.072","","","","","","1.029","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114095","19.9157","0.0014","19.9157","0.0014","25.76","0.004","90","","90","","90","","10217.3","1.9","213","2","213","2","","","","","","","","6","I 4/m","-I 4","87","{cis-(DAniF)2Ru2Cl(oxalate)(H2O)}4 (CH3CN) 2(C6H14) 12H2O","","","- C142 H183 Cl4 N17 O48 Ru8 -","- C142 H127.12 Cl4 N17 O48 Ru8 -","- C284 H254.24 Cl8 N34 O96 Ru16 -","2","0.125","","Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges","Journal of the American Chemical Society","2003","125","","10327","10334","10.1021/ja036095x","","","0.71073","MoKα","","0.1231","0.082","","","0.1973","0.2443","","","","","","1.147","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114096","19.208","0.0011","20.6163","0.0012","22.5781","0.0013","89.698","0.001","66.277","0.001","70.313","0.001","7618.4","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C240.72 H288.38 Cl38 N21.41 O32 Ru8 -","- C240.726 H286.382 Cl38.002 N21.414 O32 Ru8 -","- C240.726 H286.382 Cl38.002 N21.414 O32 Ru8 -","1","0.5","","Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges","Journal of the American Chemical Society","2003","125","","10327","10334","10.1021/ja036095x","","","0.71073","MoKα","","0.0963","0.0652","","","0.1724","0.1926","","","","","","1.096","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114097","13.1218","0.0006","13.1291","0.0005","20.8767","0.0011","94.223","0.005","98.564","0.006","105.832","0.005","3396.8","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H102 Pb3 -","- C71.98 H101.95 Pb3 -","- C143.96 H203.9 Pb6 -","2","1","","Frank Stabenow; Wolfgang Saak; Heinrich Marsmann; Manfred Weidenbruch","Hexaarylcyclotriplumbane: A Molecule with a Homonuclear Ring System of Lead","Journal of the American Chemical Society","2003","125","","10172","10173","10.1021/ja036299d","","","0.71073","MoKα","","0.0351","0.0242","","","0.0514","0.0534","","","","","","0.9","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114098","6.1863","0.0005","17.08","0.0016","10.741","0.001","90","","99.767","0.002","90","","1118.47","0.17","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 O2 -","- C26 H28 N4 O2 -","- C52 H56 N8 O4 -","2","0.5","","Qian Miao; Thuc-Quyen Nguyen; Takao Someya; Graciela B. Blanchet; Colin Nuckolls","Synthesis, Assembly, and Thin Film Transistors of Dihydrodiazapentacene: An Isostructural Motif for Pentacene","Journal of the American Chemical Society","2003","125","","10284","10287","10.1021/ja036466+","","","0.71073","MoKα","","0.0587","0.0484","","","0.1729","0.19","","","","","","1.045","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114099","5.7504","0.0014","8.853","0.002","13.142","0.003","87.218","0.005","84.87","0.006","86.213","0.004","664.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Qian Miao; Thuc-Quyen Nguyen; Takao Someya; Graciela B. Blanchet; Colin Nuckolls","Synthesis, Assembly, and Thin Film Transistors of Dihydrodiazapentacene: An Isostructural Motif for Pentacene","Journal of the American Chemical Society","2003","125","","10284","10287","10.1021/ja036466+","","","0.71073","MoKα","","0.1945","0.0577","","","0.0932","0.1159","","","","","","1.005","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114100","12.8633","0.0001","13.695","0.0002","20.5183","0.0001","90","","102.564","0.001","90","","3528.01","0.06","238","2","238","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H76 K4 N24 O49 S2 -","- C40 H36 K4 N24 O49 S2 -","- C80 H72 K8 N48 O98 S4 -","2","0.5","","Sang Yong Jon; Narayanan Selvapalam; Dong Hyun Oh; Jin-Koo Kang; Soo-Young Kim; Young Jin Jeon; Jae Wook Lee; Kimoon Kim","Facile Synthesis of Cucurbit[n]uril Derivatives via Direct Functionalization: Expanding Utilization of Cucurbit[n]uril","Journal of the American Chemical Society","2003","125","","10186","10187","10.1021/ja036536c","","","0.71073","MoKα","","0.0884","0.0731","","","0.1905","0.2037","","","","","","1.073","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114101","12.1641","0.0013","5.7004","0.0006","13.6078","0.0015","90","","108.086","0.002","90","","896.95","0.17","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Br N O4 -","- C17 H22 Br N O4 -","- C34 H44 Br2 N2 O8 -","2","1","","Chuo Chen; Xiaodong Li; Stuart L. Schreiber","Catalytic Asymmetric [3+2] Cycloaddition of Azomethine Ylides. Development of a Versatile Stepwise, Three-Component Reaction for Diversity-Oriented Synthesis","Journal of the American Chemical Society","2003","125","","10174","10175","10.1021/ja036558z","","","0.71073","MoKα","","0.0423","0.0361","","","0.0924","0.0956","","","","","","1.004","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114102","9.431","0.002","10.027","0.002","11.824","0.001","107.336","0.005","90.416","0.008","113.695","0.005","967","0.3","123.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 Bi F -","- C24 H20 Bi F -","- C48 H40 Bi2 F2 -","2","1","","Takashi Ooi; Ryoji Goto; Keiji Maruoka","Fluorotetraphenylbismuth: A New Reagent for Efficient Regioselective α-Phenylation of Carbonyl Compounds","Journal of the American Chemical Society","2003","125","","10494","10495","10.1021/ja030150k","","","0.7107","MoKα","","","0.0321","","","","0.0904","","","","","","1.134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114103","7.469","0.003","8.452","0.004","31.817","0.012","90","","90","","90","","2008.5","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C84 H92 N12 O20 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.1054","0.0624","","","0.1338","0.1581","","","","","","1.059","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114104","6.6763","0.0014","15.329","0.003","16.572","0.004","111.772","0.006","97.092","0.013","93.043","0.014","1553.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 N4 O6 -","- C36 H36 N4 O6 -","- C72 H72 N8 O12 -","2","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.0576","0.0387","","","0.1025","0.1154","","","","","","1.064","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114105","10.2589","0.0013","13.3262","0.0012","24.287","0.003","90","","90","","90","","3320.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H38 N4 O5 -","- C38 H38 N4 O5 -","- C152 H152 N16 O20 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.0497","0.0359","","","0.0813","0.0877","","","","","","1.028","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114106","10.8635","0.0012","13.9599","0.0017","15.9849","0.0018","90","","90","","90","","2424.2","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 O4 -","- C28 H27 N3 O4 -","- C112 H108 N12 O16 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.0646","0.0412","","","0.1003","0.1182","","","","","","1.158","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114107","9.8833","0.0005","24.7789","0.0012","37.5458","0.0019","90","","90","","90","","9194.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H98 Cl4 N10 O12 -","- C100.48 H108.078 Cl2 N10 O12 -","- C401.92 H432.312 Cl8 N40 O48 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.0988","0.081","","","0.2057","0.2161","","","","","","1.117","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114108","12.408","0.002","15.433","0.003","21.717","0.004","101.477","0.003","104.861","0.004","95.632","0.004","3890","1.2","183.2","","183.2","","","","","","","","","5","P 1","P 1","1","","","","- C175 H153 I N4 O26 -","- C175 I N4 O26 -","- C175 I N4 O26 -","1","1","","Kenji Kobayashi; Kei Ishii; Shigeru Sakamoto; Toshiaki Shirasaka; Kentaro Yamaguchi","Guest-Induced Assembly of Tetracarboxyl-Cavitand and Tetra(3-pyridyl)-Cavitand into a Heterodimeric Capsule via Hydrogen Bonds and CH-Halogen and/or CH-π Interaction: Control of the Orientation of the Encapsulated Guest","Journal of the American Chemical Society","2003","125","","10615","10624","10.1021/ja035337q","","","0.7107","MoKα","","0.1636","0.164","","0.197","","0.197","","","3.391","","","3.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114109","12.57","0.003","19.354","0.004","21.471","0.005","63.99","0.04","75.32","0.05","76.08","0.05","4491","2","103.2","","","","","","","","","","","4","P 1","P 1","1","","","","- C206 H189 N5 O26 -","- C206 N5 O26 -","- C206 N5 O26 -","1","1","","Kenji Kobayashi; Kei Ishii; Shigeru Sakamoto; Toshiaki Shirasaka; Kentaro Yamaguchi","Guest-Induced Assembly of Tetracarboxyl-Cavitand and Tetra(3-pyridyl)-Cavitand into a Heterodimeric Capsule via Hydrogen Bonds and CH-Halogen and/or CH-π Interaction: Control of the Orientation of the Encapsulated Guest","Journal of the American Chemical Society","2003","125","","10615","10624","10.1021/ja035337q","","","0.7107","MoKα","","","0.159","","","","0.173","","","","","","4.633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114110","10.0978","0.0002","26.1707","0.0006","26.6031","0.0007","90","","90","","90","","7030.3","0.3","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 N2 Ni O2 -","- C36 H52 N2 Ni O2 -","- C288 H416 N16 Ni8 O16 -","8","2","","Yuichi Shimazaki; Fumito Tani; Kôichi Fukui; Yoshinori Naruta; Osamu Yamauchi","One-Electron Oxidized Nickel(II)-(Disalicylidene)diamine Complex: Temperature-Dependent Tautomerism between Ni(III)-Phenolate and Ni(II)-Phenoxyl Radical States","Journal of the American Chemical Society","2003","125","","10512","10513","10.1021/ja035806o","","","0.7107","MoKα","","","0.0783","","","","0.2174","","","","","","0.996","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114111","14.14","0.003","14.218","0.003","18.155","0.004","98.7","0.03","101.5","0.03","105.75","0.03","3359.8","1.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","(o-C6F4Hg)3-4(Me2S)","","","- C26 H24 F12 Hg3 S4 -","- C26 H24 F12 Hg3 S4 -","- C104 H96 F48 Hg12 S16 -","4","2","","Mitsukimi Tsunoda; François P. Gabbaï","Hexacoordination of a Dimethyl Sulfide Molecule","Journal of the American Chemical Society","2003","125","","10492","10493","10.1021/ja036197n","","","0.71073","MoKα","","0.0836","0.0585","","","0.1493","0.169","","","","","","1.065","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114112","11.151","0.002","10.743","0.002","17.987","0.004","90","","90","","90","","2154.8","0.7","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","(o-C6F4Hg)3-(Me2S)","","","- C20 H6 F12 Hg3 S -","- C20 H6 F12 Hg3 S -","- C80 H24 F48 Hg12 S4 -","4","0.5","","Mitsukimi Tsunoda; François P. Gabbaï","Hexacoordination of a Dimethyl Sulfide Molecule","Journal of the American Chemical Society","2003","125","","10492","10493","10.1021/ja036197n","","","0.71073","MoKα","","0.1012","0.0702","","","0.1106","0.1221","","","","","","1.046","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114113","9.4525","0.0015","14.379","0.002","20.348","0.003","90","","90","","90","","2765.6","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H72 B2 Cl6 F8 O2 Pt4 -","- C48 H72 B2 Cl6 F8 O2 Pt4 -","- C96 H144 B4 Cl12 F16 O4 Pt8 -","2","0.5","","Endre Szuromi; Hui Shan; Paul R. Sharp","Alkene Oxidation by a Platinum Oxo Complex and Isolation of a Platinaoxetane","Journal of the American Chemical Society","2003","125","","10522","10523","10.1021/ja036496c","","","0.71073","MoKα","","0.0345","0.0276","","","0.048","0.0497","","","","","","0.999","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114114","15.588","0.002","15.588","0.002","16.268","0.003","90","","90","","90","","3952.9","1","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","polyoxovanadogermanate","","","- C8 H28 Ge4 N4 O28 V7 -","- C8 H28 Ge4 N4 O28 V7 -","- C32 H112 Ge16 N16 O112 V28 -","4","0.5","","Akhilesh Tripathi; Timothy Hughbanks; Abraham Clearfield","The First Framework Solid Composed of Vanadosilicate Clusters","Journal of the American Chemical Society","2003","125","","10528","10529","10.1021/ja0365173","","","0.71073","MoKα","","0.0677","0.0453","","","0.1265","0.1358","","","","","","1.079","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114115","16.169","0.002","16.169","0.002","18.199","0.004","90","","90","","90","","4757.9","1.3","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","vanadosilicate","","","- C8 H16 Ge0 N6.5 O27.5 Si4 V9 -","- C8 H16 N6.5 O27.5 Si4 V9 -","- C32 H64 N26 O110 Si16 V36 -","4","0.5","","Akhilesh Tripathi; Timothy Hughbanks; Abraham Clearfield","The First Framework Solid Composed of Vanadosilicate Clusters","Journal of the American Chemical Society","2003","125","","10528","10529","10.1021/ja0365173","","","0.71073","MoKα","","0.065","0.072","","","0.1537","0.1455","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114116","12.8563","0.0008","15.5927","0.0009","18.9159","0.0011","105.647","0.001","100.891","0.001","91.528","0.001","3573.6","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","2:1 Tri-N,N',N''-(n-butyl)mellitic triimide/2,3,6,7,10,11-hexahydroxytriphenylene co-crystal","","- C69 H85.4 N7 O25.2 -","- C69 H77 N7 O25.2 -","- C138 H154 N14 O50.4 -","2","1","","Lee Y. Park; Darren G. Hamilton; Edward A. McGehee; Kathryn A. McMenimen","Complementary C3-Symmetric Donor-Acceptor Components: Cocrystal Structure and Control of Mesophase Stability","Journal of the American Chemical Society","2003","125","","10586","10590","10.1021/ja036540o","","","0.71073","MoKα","","0.1166","0.1047","","","0.2368","0.2434","","","","","","1.281","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114117","15.507","0.0002","12.028","0.0003","8.874","0.0006","90","","90","","90","","1655.16","0.12","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","suzuki03","","","- C13 H21 Ir N4 S2 -","- C13 H21 Ir N4 S2 -","- C52 H84 Ir4 N16 S8 -","4","0.5","","Takayoshi Suzuki; Antonio G. DiPasquale; James M. Mayer","Nitrogen Atom Insertion into Ir-S and C-S Bonds Initiated by Photolysis of Iridium(III)-Azido-Dithiocarbamato Complexes","Journal of the American Chemical Society","2003","125","","10514","10515","10.1021/ja0365779","","","0.71073","MoKα","","0.0498","0.0302","","","0.0536","0.0572","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114118","10.454","0.0004","11.16","0.0006","14.133","0.001","84.117","0.0017","87.457","0.0016","66.235","0.004","1501.08","0.15","130","2","130","2","","","","","","","","5","P -1","-P 1","2","suzuki05d","","","- C26 H42 Ir2 N4 S4 -","- C26 H42 Ir2 N4 S4 -","- C52 H84 Ir4 N8 S8 -","2","1","","Takayoshi Suzuki; Antonio G. DiPasquale; James M. Mayer","Nitrogen Atom Insertion into Ir-S and C-S Bonds Initiated by Photolysis of Iridium(III)-Azido-Dithiocarbamato Complexes","Journal of the American Chemical Society","2003","125","","10514","10515","10.1021/ja0365779","","","0.71073","MoKα","","0.0783","0.0505","","","0.1115","0.1228","","","","","","0.999","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114119","9.729","0.0003","11.251","0.0004","14.133","0.0006","90","","101.808","0.0014","90","","1514.28","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","suzuki06","","","- C13 H21 Ir N2 S2 -","- C13 H21 Ir N2 S2 -","- C52 H84 Ir4 N8 S8 -","4","1","","Takayoshi Suzuki; Antonio G. DiPasquale; James M. Mayer","Nitrogen Atom Insertion into Ir-S and C-S Bonds Initiated by Photolysis of Iridium(III)-Azido-Dithiocarbamato Complexes","Journal of the American Chemical Society","2003","125","","10514","10515","10.1021/ja0365779","","","0.71073","MoKα","","0.0629","0.0384","","","0.072","0.0776","","","","","","1.005","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114120","23.885","0.002","6.8806","0.0005","13.1037","0.0011","90","","90.844","0.002","90","","2153.3","0.3","200","2","200","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","2-(tert-Butyldimethylsilanyloxy)-5-hydroxy-6-vinyl- 11-oxatricyclo[7.4.1.1^10,13^]pentadeca-3,7-diyn-12-one","","- C22 H30 O4 Si -","- C22 H30 O4 Si -","- C88 H120 O16 Si4 -","4","1","","M. F. Semmelhack; Lingyun Wu; Robert A. Pascal; Douglas M. Ho","Conformational Control in Activation of an Enediyne","Journal of the American Chemical Society","2003","125","","10496","10497","10.1021/ja036763e","","","0.71073","MoKα","","0.1076","0.0582","","0.1701","0.1413","","","","1.03","1.128","1.128","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114121","27.6648","0.0005","6.4448","0.0001","10.6563","0.0002","90","","90","","90","","1899.96","0.06","200","2","200","2","","","","","","","chemical synthesis","5","P n a 21","P 2c -2n","33","","2-(tert-Butyldimethylsilanyloxymethyl)-4-(2,2-dichlorovinyl)- 6-oxabicyclo[3.2.1]octan-7-one","","- C16 H26 Cl2 O3 Si -","- C16 H26 Cl2 O3 Si -","- C64 H104 Cl8 O12 Si4 -","4","1","","M. F. Semmelhack; Lingyun Wu; Robert A. Pascal; Douglas M. Ho","Conformational Control in Activation of an Enediyne","Journal of the American Chemical Society","2003","125","","10496","10497","10.1021/ja036763e","","","0.71073","MoKα","","0.0621","0.0439","","0.117","0.1055","","","","1.044","1.044","1.044","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114122","7.097","0.0004","12.8795","0.0008","14.9886","0.0009","97.534","0.002","96.639","0.003","100.131","0.003","1323.47","0.14","200","2","200","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","2,15-Dihydroxy-11,24-dioxapentacyclo[7.4.1.1^10,13^,7.4.1.1^23,26^]- triaconta-5,18-diene-3,7,16,20-tetrayne-12,25-dione Dichloromethane Solvate","","- C29 H26 Cl2 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","","M. F. Semmelhack; Lingyun Wu; Robert A. Pascal; Douglas M. Ho","Conformational Control in Activation of an Enediyne","Journal of the American Chemical Society","2003","125","","10496","10497","10.1021/ja036763e","","","0.71073","MoKα","","0.0908","0.0587","","0.1674","0.1528","","","","1.054","1.228","1.228","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114123","22.496","0.005","13.385","0.003","26.155","0.005","90","","99.54","0.03","90","","7767","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76.75 H108 Ga2 K2 N6 Ni -","- C76.75 H98 Ga2 K2 N6 Ni -","- C307 H392 Ga8 K8 N24 Ni4 -","4","1","","Robert J. Baker; Cameron Jones; Jamie A. Platts","Analogies between the Reactivities of an Anionic Gallium(I) Heterocycle and N-Heterocyclic Carbenes Toward Metallocenes","Journal of the American Chemical Society","2003","125","","10534","10535","10.1021/ja036933n","","","0.71073","MoKα","","0.1242","0.0846","","","0.1899","0.2105","","","","","","1.081","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114124","15.991","0.003","13.198","0.003","16.475","0.003","90","","96.27","0.03","90","","3456.2","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H104 Ga2 N8 Ni -","- C66 H96 Ga2 N8 Ni -","- C132 H192 Ga4 N16 Ni2 -","2","0.5","","Robert J. Baker; Cameron Jones; Jamie A. Platts","Analogies between the Reactivities of an Anionic Gallium(I) Heterocycle and N-Heterocyclic Carbenes Toward Metallocenes","Journal of the American Chemical Society","2003","125","","10534","10535","10.1021/ja036933n","","","0.71073","MoKα","","0.1144","0.0636","","","0.1291","0.145","","","","","","0.988","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114125","5.765","0.0003","11.109","0.0006","13.156","0.0008","100.428","0.002","98.991","0.0017","92.456","0.004","816.26","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tetrasodium bis(N,N'-1,4-phenylenebis(oxamate)) cuprate(II) undecahydrate","","- C20 H30 Cu2 N4 Na4 O23 -","- C20 H8 Cu2 N4 Na4 O23 -","- C20 H8 Cu2 N4 Na4 O23 -","1","0.5","","Emilio Pardo; Juan Faus; Miguel Julve; Francesc Lloret; M. Carmen Muñoz; Joan Cano; Xavier Ottenwaelder; Yves Journaux; Rosa Carrasco; Gonzalo Blay; Isabel Fernández; Rafael Ruiz-García","Long-Range Magnetic Coupling through Extended π-Conjugated Aromatic Bridges in Dinuclear Copper(II) Metallacyclophanes","Journal of the American Chemical Society","2003","125","","10770","10771","10.1021/ja030060f","","","0.71073","MoKα","","0.0849","0.0787","","","0.2193","0.2278","","","","","","0.94","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114126","13.9134","0.0015","13.9628","0.0018","19.057","0.002","106.645","0.003","107.171","0.004","91.862","0.005","3361.2","0.7","90","2","90","2","","","","","","","","3","P -1","-P 1","2","(Dipp*Al)2C7H8.2C7H8","","","- C81 H98 Al2 -","- C81 H98 Al2 -","- C162 H196 Al4 -","2","1","","Robert J. Wright; Andrew D. Phillips; Philip P. Power","The [2 + 4] Diels-Alder Cycloadditon Product of a Probable Dialuminene, Ar'AlAlAr' (Ar' = C6H3- 2,6-Dipp2; Dipp = C6H3-2,6-Pri2), with Toluene","Journal of the American Chemical Society","2003","125","","10784","10785","10.1021/ja034478p","","","0.71073","MoKα","","0.0552","0.0396","","","0.0988","0.1114","","","","","","1.036","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114127","13.5724","0.0012","19.0587","0.0017","15.5757","0.0014","90","","114.603","0.003","90","","3663.2","0.6","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Dipp*AlI)2.2C6H6","","","- C42 H49 Al I -","- C42 H49 Al I -","- C168 H196 Al4 I4 -","4","1","","Robert J. Wright; Andrew D. Phillips; Philip P. Power","The [2 + 4] Diels-Alder Cycloadditon Product of a Probable Dialuminene, Ar'AlAlAr' (Ar' = C6H3- 2,6-Dipp2; Dipp = C6H3-2,6-Pri2), with Toluene","Journal of the American Chemical Society","2003","125","","10784","10785","10.1021/ja034478p","","","0.71073","MoKα","","0.0471","0.0426","","","0.121","0.1245","","","","","","1.069","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114128","25.3192","0.0002","25.3192","0.0002","64.098","0.001","90","","90","","120","","35585.7","0.7","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C346 H555 Ba2 N97 O110 Si16 -","- C346 H535 Ba2 N97 O109.99 Si16 -","- C1038 H1605 Ba6 N291 O329.97 Si48 -","3","0.5","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.0944","0.0735","","","0.1984","0.2134","","","","","","1.063","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114129","53.2556","0.0018","66.114","0.002","27.398","0.0009","90","","90","","90","","96467","5","193","2","193","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C682.5 H1110.5 Ba4 Cl1.5 N190 O212 Si32 -","- C682.5 H1061.5 Ba4 Cl1.5 N190 O211.95 Si32 -","- C2730 H4246 Ba16 Cl6 N760 O847.8 Si128 -","4","1","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.1455","0.098","","","0.2552","0.2862","","","","","","1.155","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114130","30.797","0.0008","30.797","0.0008","25.8915","0.0013","90","","90","","90","","24556.9","1.5","193","2","193","2","","","","","","","","7","I 4","I 4","79","","","","- C356 H569 Ba2 Cl6 N99 O109 Si16 -","- C355.96 H551 Ba2 Cl6 N98.98 O109 Si16 -","- C711.92 H1102 Ba4 Cl12 N197.96 O218 Si32 -","2","0.25","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.0798","0.0595","","","0.1594","0.1816","","","","","","1.102","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114131","46.662","0.004","24.259","0.002","45.111","0.004","90","","93.139","0.002","90","","50988","8","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C351.3 H555.9 Ba2 Cl12.5 N95.4 O110.1 Si16 -","- C351.32 H543.74 Ba2 Cl12.54 N95.4 O110.1 Si16 -","- C1405.28 H2174.96 Ba8 Cl50.16 N381.6 O440.4 Si64 -","4","1","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.1011","0.0872","","","0.228","0.2369","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114132","12.096","0.01","17.406","0.015","16.336","0.014","90","","92.669","0.015","90","","3436","5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","A mixture of 1,2-bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene and 1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Masakazu Morimoto; Seiya Kobatake; Masahiro Irie","Multicolor Photochromism of Two- and Three-Component Diarylethene Crystals","Journal of the American Chemical Society","2003","125","","11080","11087","10.1021/ja035277o","","","0.71073","MoKα","","0.0695","0.0459","","","0.1221","0.1536","","","","","","1.097","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114133","17.136","0.016","8.778","0.008","11.208","0.011","90","","92.493","0.016","90","","1684","3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","A mixture of 1,2-bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene and 1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17.008 H14 F6.003 S2 -","- C68.032 H56 F24.012 S8 -","4","1","","Masakazu Morimoto; Seiya Kobatake; Masahiro Irie","Multicolor Photochromism of Two- and Three-Component Diarylethene Crystals","Journal of the American Chemical Society","2003","125","","11080","11087","10.1021/ja035277o","","","0.71073","MoKα","","0.0492","0.0361","","","0.0928","0.1009","","","","","","1.053","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114134","5.5425","0.0002","21.2867","0.0009","9.4522","0.0005","90","","100.512","0.0015","90","","1096.47","0.08","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Wei-Shan Yu; Chung-Chih Cheng; Yi-Ming Cheng; Pei-Chi Wu; Yi-Hwa Song; Yun Chi; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer in Five-Membered Hydrogen-Bonding Systems: 2-Pyridyl Pyrazoles","Journal of the American Chemical Society","2003","125","","10800","10801","10.1021/ja035382y","","","0.71073","MoKα","","0.1217","0.0483","","","0.1103","0.1421","","","","","","1.001","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114135","5.7083","0.0001","10.4009","0.0002","18.7144","0.0003","90","","92.104","0.0008","90","","1110.35","0.03","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Wei-Shan Yu; Chung-Chih Cheng; Yi-Ming Cheng; Pei-Chi Wu; Yi-Hwa Song; Yun Chi; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer in Five-Membered Hydrogen-Bonding Systems: 2-Pyridyl Pyrazoles","Journal of the American Chemical Society","2003","125","","10800","10801","10.1021/ja035382y","","","0.71073","MoKα","","0.0877","0.048","","","0.1162","0.1456","","","","","","1.076","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114136","18.578","0.006","8.438","0.003","18.997","0.007","90","","90.194","0.006","90","","2978","1.8","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H43 N4 O13.5 -","- C26 H43 N4 O13.5 -","- C104 H172 N16 O54 -","4","2","","Renate M. van Well; Luciana Marinelli; Cornelis Altona; Kees Erkelens; Gregg Siegal; Mark van Raaij; Antonio L. Llamas-Saiz; Horst Kessler; Ettore Novellino; Antonio Lavecchia; Jacques H. van Boom; Mark Overhand","Conformational Analysis of Furanoid ε-Sugar Amino Acid Containing Cyclic Peptides by NMR Spectroscopy, Molecular Dynamics Simulation, and X-ray Crystallography: Evidence for a Novel Turn Structure","Journal of the American Chemical Society","2003","125","","10822","10829","10.1021/ja035461+","","x-ray","0.71073","MoKα","","0.1664","0.1433","","","0.3781","0.3947","","","","","","1.386","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114137","4.356","0.002","11.575","0.003","20.09","0.004","91.71","0.03","92.9","0.03","90.04","0.03","1011.2","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C12.33 H8.67 Cl0.67 Cr0.33 Mn0.33 O4 S4 Se4 -","- C10 H8 S4 Se4 -","- C20 H16 S8 Se8 -","2","1","","Antonio Alberola; Eugenio Coronado; José R. Galán-Mascarós; Carlos Giménez-Saiz; Carlos J. Gómez-García","A Molecular Metal Ferromagnet from the Organic Donor Bis(ethylenedithio)tetraselenafulvalene and Bimetallic Oxalate Complexes","Journal of the American Chemical Society","2003","125","","10774","10775","10.1021/ja035772k","","","0.71069","MoKα","","0.1787","0.106","","","0.2533","0.3193","","","","","","1.084","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114138","12.155","0.006","22.181","0.011","18.561","0.01","90","","108.422","0.006","90","","4748","4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-silaanthracene dimer","","","- C86 H150 Si14 -","- C86 H150 Si14 -","- C172 H300 Si28 -","2","0.5","","Akihiro Shinohara; Nobuhiro Takeda; Norihiro Tokitoh","Photochemical and Thermal Reactions of a Kinetically Stabilized 9-Silaanthracene: The First Spectroscopic Observation of a 9,10-Dewar-9-silaanthracene Isomer","Journal of the American Chemical Society","2003","125","","10804","10805","10.1021/ja036106m","","","0.7107","MoKα","","0.0987","0.0808","","","0.1634","0.1712","","","","","","1.223","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114139","7.306","0.0015","16.133","0.003","7.094","0.0014","90","","90","","90","","836.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","beta-et-1","","","- C2 H4 Al Cl4 Cu -","- C2 H4 Al Cl4 Cu -","- C8 H16 Al4 Cl16 Cu4 -","4","1","","Roger M. Sullivan; Haiming Liu; D. Steve Smith; Jonathan C. Hanson; Derek Osterhout; Michael Ciraolo; Clare P. Grey; James D. Martin","Sorptive Reconstruction of the CuAlCl4 Framework upon Reversible Ethylene Binding","Journal of the American Chemical Society","2003","125","","11065","11079","10.1021/ja036172o","","","0.9376","","","0.0376","0.0375","","0.1421","0.1414","","","","1.486","1.482","1.482","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114140","7.1274","0.0005","12.509","0.0012","11.997","0.003","90","","91.19","0.012","90","","1069.4","0.3","143","","143","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C4 H8 Al Cl4 Cu -","- C4 H8 Al Cl4 Cu -","- C16 H32 Al4 Cl16 Cu4 -","4","2","","Roger M. Sullivan; Haiming Liu; D. Steve Smith; Jonathan C. Hanson; Derek Osterhout; Michael Ciraolo; Clare P. Grey; James D. Martin","Sorptive Reconstruction of the CuAlCl4 Framework upon Reversible Ethylene Binding","Journal of the American Chemical Society","2003","125","","11065","11079","10.1021/ja036172o","","","0.71073","MolybdenumKα","","0.035","0.035","","0.04","0.04","","","","","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114141","22.9273","0.0014","12.145","0.0007","14.1744","0.0008","90","","100.769","0.001","90","","3877.4","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 N Si Ti -","- C19 H27.949 N Si Ti -","- C152 H223.592 N8 Si8 Ti8 -","8","1","","Hongbo Li; Liting Li; Tobin J. Marks; Louise Liable-Sands; Arnold L. Rheingold","Catalyst/Cocatalyst Nuclearity Effects in Single-Site Olefin Polymerization. Significantly Enhanced 1-Octene and Isobutene Comonomer Enchainment in Ethylene Polymerizations Mediated by Binuclear Catalysts and Cocatalysts","Journal of the American Chemical Society","2003","125","","10788","10789","10.1021/ja036289c","","","0.71073","MoKα","","0.0534","0.0396","","","0.1041","0.11","","","","","","0.97","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114142","11.0774","0.0008","12.8788","0.0009","16.3857","0.0012","90.261","0.001","97.991","0.001","110.68","0.001","2162.2","0.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H39 B F15 N Si Ti -","- C44 H39 B F15 N Si Ti -","- C88 H78 B2 F30 N2 Si2 Ti2 -","2","1","","Hongbo Li; Liting Li; Tobin J. Marks; Louise Liable-Sands; Arnold L. Rheingold","Catalyst/Cocatalyst Nuclearity Effects in Single-Site Olefin Polymerization. Significantly Enhanced 1-Octene and Isobutene Comonomer Enchainment in Ethylene Polymerizations Mediated by Binuclear Catalysts and Cocatalysts","Journal of the American Chemical Society","2003","125","","10788","10789","10.1021/ja036289c","","","0.71073","MoKα","","0.0794","0.0549","","","0.1416","0.1556","","","","","","0.961","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114143","8.3171","0.0002","9.8177","0.0002","13.8667","0.0004","83.5443","0.001","83.2403","0.0011","83.5394","0.0008","1111.61","0.05","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 N6 Si2 Ti2 -","- C40 H68 N6 Si2 Ti2 -","- C40 H68 N6 Si2 Ti2 -","1","0.5","","Hongbo Li; Liting Li; Tobin J. Marks; Louise Liable-Sands; Arnold L. Rheingold","Catalyst/Cocatalyst Nuclearity Effects in Single-Site Olefin Polymerization. Significantly Enhanced 1-Octene and Isobutene Comonomer Enchainment in Ethylene Polymerizations Mediated by Binuclear Catalysts and Cocatalysts","Journal of the American Chemical Society","2003","125","","10788","10789","10.1021/ja036289c","","","0.71073","MoKα","","0.1142","0.0752","","0.2631","0.1875","","","","1.308","1.292","1.292","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114144","11.7243","0.0011","14.5838","0.0014","15.0066","0.0014","80.981","0.002","85.696","0.002","71.417","0.002","2401.2","0.4","96","2","96","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H170 B2 Fe2 N2 Na O8 P6 -","- C86 H170 B2 Fe2 N2 Na O8 P6 -","- C86 H170 B2 Fe2 N2 Na O8 P6 -","1","0.5","","Theodore A. Betley; Jonas C. Peters","Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms","Journal of the American Chemical Society","2003","125","","10782","10783","10.1021/ja036687f","","","0.71073","MoKα","","0.1338","0.0609","","","0.1131","0.124","","","","","","1.553","","","","has coordinates,has disorder","286259","2023-09-07","06:04:33",""
"4114145","11.6846","0.001","14.7047","0.0013","15.07","0.0013","80.204","0.002","85.159","0.002","70.543","0.002","2404.8","0.4","96","2","96","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H170 B2 Co2 N2 Na O8 P6 -","- C86 H170 B2 Co2 N2 Na O8 P6 -","- C86 H170 B2 Co2 N2 Na O8 P6 -","1","0.5","","Theodore A. Betley; Jonas C. Peters","Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms","Journal of the American Chemical Society","2003","125","","10782","10783","10.1021/ja036687f","","","0.71073","MoKα","","0.1073","0.0595","","","0.1162","0.1235","","","","","","1.779","","","","has coordinates,has disorder","286259","2023-09-07","06:04:36",""
"4114146","12.5232","0.0009","16.2311","0.0011","18.8942","0.0013","90","","101.948","0.001","90","","3757.3","0.5","96","2","96","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H68 B Fe N P3 -","- C37 H68 B Fe N P3 -","- C148 H272 B4 Fe4 N4 P12 -","4","1","","Theodore A. Betley; Jonas C. Peters","Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms","Journal of the American Chemical Society","2003","125","","10782","10783","10.1021/ja036687f","","","0.71073","MoKα","","0.0795","0.0495","","","0.0964","0.1018","","","","","","1.805","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114147","9.8016","0.0009","14.8639","0.0013","28.355","0.003","90","","99.692","0.002","90","","4072.1","0.7","96","2","96","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H68 B Co N P3 -","- C41 H68 B Co N P3 -","- C164 H272 B4 Co4 N4 P12 -","4","1","","Theodore A. Betley; Jonas C. Peters","Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms","Journal of the American Chemical Society","2003","125","","10782","10783","10.1021/ja036687f","","","0.71073","MoKα","","0.068","0.0446","","","0.0838","0.0871","","","","","","1.62","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114148","22.4373","0.0008","22.4373","0.0008","31.7568","0.0017","90","","90","","90","","15987.4","1.2","96","2","96","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C26.67 B0.76 Co0.76 Mg0.38 N1.52 O1.52 P2.29 -","- C70 B2 Co2 Mg N4 O4 P6 -","- C560 B16 Co16 Mg8 N32 O32 P48 -","8","0.5","","Theodore A. Betley; Jonas C. Peters","Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms","Journal of the American Chemical Society","2003","125","","10782","10783","10.1021/ja036687f","","","0.71073","MoKα","","0.2298","0.1044","","","0.1538","0.1681","","","","","","1.591","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114149","13.4823","0.0004","16.3546","0.0005","20.0818","0.0006","65.993","0.002","84.086","0.002","86.355","0.002","4022.3","0.2","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[Yb3(thf){Me3SiNCPhCHCPhNSiMe3}3]","","","- C67 H95 N6 O Si6 Yb3 -","- C67 H95 N6 O Si6 Yb3 -","- C134 H190 N12 O2 Si12 Yb6 -","2","1","","Odile Eisenstein; Peter B. Hitchcock; Alexei V. Khvostov; Michael F. Lappert; Laurent Maron; Lionel Perrin; Andrey V. Protchenko","Mono-, Di-, and Trianionic β-Diketiminato Ligands: A Computational Study and the Synthesis and Structure of [(YbL)3(THF)], L = [{N(SiMe3)C(Ph)}2CH]","Journal of the American Chemical Society","2003","125","","10790","10791","10.1021/ja036902s","","x-ray","0.71073","MoKα","","0.0546","0.0388","","","0.1","0.1091","","","","","","1.031","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114150","32.314","0.007","11.193","0.002","11.312","0.002","90","","108.345","0.006","90","","3883.5","1.3","213","2","213","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C28 H19 F9 N3 O14 S3 Sc -","- C28 H19 F9 N3 O14 S3 Sc -","- C112 H76 F36 N12 O56 S12 Sc4 -","4","1","","David A. Evans; Karl A. Scheidt; Keith R. Fandrick; Hon Wai Lam; Jimmy Wu","Enantioselective Indole Friedel-Crafts Alkylations Catalyzed by Bis(oxazolinyl)pyridine-Scandium(III) Triflate Complexes","Journal of the American Chemical Society","2003","125","","10780","10781","10.1021/ja036985c","","","0.71073","MoKα","","0.0779","0.0756","","","0.204","0.2117","","","","","","1.096","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114151","10.0026","0.0006","16.3913","0.0012","21.9296","0.0016","78.662","0.009","76.825","0.008","76.132","0.008","3360.2","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Tripotassium [bis-{2,4-bis-((1'-methyl-1'-phenyl)methyl) -6-(N,N-bis-(carboxymethyl)-aminomethyl)phenolato} -bis-(ν-carbonato)potassium(I)diiron(III)] 6(water) 2(ethanol) solvate","","- C64 H84 Fe2 K4 N2 O24 -","- C64 H60 Fe2 K4 N2 O24 -","- C128 H120 Fe4 K8 N4 O48 -","2","1","","Wolfgang Schmitt; Christopher E. Anson; Jonathan P. Hill; Annie K. Powell","Cation-π Binding of an Alkali Metal Ion by Pendant α,α-Dimethylbenzyl Groups within a Dinuclear Iron(III) Structural Unit","Journal of the American Chemical Society","2003","125","","11142","11143","10.1021/ja029409+","","","0.71073","MoKα","","0.1623","0.0637","","","0.1216","0.1443","","","","","","0.73","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114152","11.9224","0.0016","12.0853","0.0016","16.687","0.002","90","","103.489","0.002","90","","2338","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","02260","","","- C22 H40 N2 O Zn -","- C22 H40 N2 O Zn -","- C88 H160 N8 O4 Zn4 -","4","1","","Charlotte K. Williams; Laurie E. Breyfogle; Sun Kyung Choi; Wonwoo Nam; Victor G. Young; Marc A. Hillmyer; William B. Tolman","A Highly Active Zinc Catalyst for the Controlled Polymerization of Lactide","Journal of the American Chemical Society","2003","125","","11350","11359","10.1021/ja0359512","","","0.71073","MoKα","","0.0752","0.0467","","","0.1142","0.1233","","","","","","0.99","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4114153","38.339","0.003","17.0503","0.0015","17.3185","0.0015","90","","90","","90","","11321","1.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H80 N4 O4 Zn2 -","- C44 H80 N4 O4 Zn2 -","- C352 H640 N32 O32 Zn16 -","8","1","","Charlotte K. Williams; Laurie E. Breyfogle; Sun Kyung Choi; Wonwoo Nam; Victor G. Young; Marc A. Hillmyer; William B. Tolman","A Highly Active Zinc Catalyst for the Controlled Polymerization of Lactide","Journal of the American Chemical Society","2003","125","","11350","11359","10.1021/ja0359512","","","0.71073","MoKα","","0.0964","0.0514","","","0.1182","0.1318","","","","","","0.947","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114154","13.1013","0.0014","14.4428","0.0016","16.9894","0.0019","77.984","0.002","67.962","0.001","89.536","0.002","2905.8","0.6","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","David M. Jenkins; Jonas C. Peters","Solution and Solid-State Spin-Crossover Behavior in a Pseudotetrahedral d7 Ion","Journal of the American Chemical Society","2003","125","","11162","11163","10.1021/ja036198f","","","0.71073","MoKα","","0.0456","0.0336","","","0.0673","0.0698","","","","","","1.486","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114155","13.4295","0.0015","14.5619","0.0017","17.357","0.002","78.183","0.002","68.286","0.002","88.981","0.002","3080.4","0.6","295","","295","","","","","","","","","7","P -1","-P 1","2","BP3CoOSiPh3 295K","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","David M. Jenkins; Jonas C. Peters","Solution and Solid-State Spin-Crossover Behavior in a Pseudotetrahedral d7 Ion","Journal of the American Chemical Society","2003","125","","11162","11163","10.1021/ja036198f","","","0.71073","MoKα","","0.1288","0.0534","","","0.0738","0.0854","","","","","","1.063","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114156","8.8324","0.0007","11.2524","0.001","16.4861","0.0015","91.53","0.002","95.381","0.002","111.921","0.002","1509.9","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 Ga2 N2 -","- C35 H32 Ga2 N2 -","- C70 H64 Ga4 N4 -","2","1","","Chatu T. Sirimanne; John E. Knox; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Synthesis, Structure, Bridge-Terminal Exchange Kinetics, and Molecular Orbital Calculations of Pyrazolate-Bridged Digallium Complexes Containing Bridging Phenyl Groups","Journal of the American Chemical Society","2003","125","","11152","11153","10.1021/ja036256x","","","0.71073","MoKα","","0.0401","0.0286","","","0.0783","0.0822","","","","","","1.003","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114157","14.82","0.003","17.064","0.005","25.011","0.005","99.03","0.03","106.56","0.02","108.06","0.02","5551","3","295","2","298","","","","","","","","?","9","P -1","-P 1","2","","","","- C10 H50 K9 N4 Na4 O85 P2 Ru W19 -","- C10 K9 N4 Na4 O85 P2 Ru W19 -","- C20 K18 N8 Na8 O170 P4 Ru2 W38 -","2","1","","Vincent Artero; Anna Proust; Patrick Herson; Françoise Villain; Christophe Cartier dit Moulin; Pierre Gouzerh","Synthesis and Characterization of the First Carbene Derivative of a Polyoxometalate","Journal of the American Chemical Society","2003","125","","11156","11157","10.1021/ja036257p","","","0.71069","MoKα","","","0.067","","","0.0792","","","","","1.0738","1.0738","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114158","9.389","0.001","10.8","0.001","16.087","0.002","90","","90","","90","","1631.2","0.3","134.2","","134.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H29 N O2 S -","- C13 H29 N O2 S -","- C52 H116 N4 O8 S4 -","4","1","","Takuya Kochi; Tony P. Tang; Jonathan A. Ellman","Development and Application of a New General Method for the Asymmetric Synthesis of syn- and anti-1,3-Amino Alcohols","Journal of the American Chemical Society","2003","125","","11276","11282","10.1021/ja0363462","","","0.7107","MoKα","","0.108","0.0522","","","0.055","0.0625","","","","","","1.712","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114159","12.5069","0.0008","12.5069","0.0008","26.069","0.002","90","","90","","120","","3531.5","0.4","213","2","213","2","","","","","","","","5","P 65","P 65","170","","","","- C24 H23 F3 N2 O4 -","- C24 H23 F3 N2 O4 -","- C144 H138 F18 N12 O24 -","6","1","","Mark S. Taylor; Eric N. Jacobsen","Enantioselective Michael Additions to α,β-Unsaturated Imides Catalyzed by a Salen-Al Complex","Journal of the American Chemical Society","2003","125","","11204","11205","10.1021/ja037177o","","","0.71073","MoKα","","0.2359","0.0996","","","0.2532","0.3255","","","","","","0.99","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114160","11.3859","0.0013","9.2569","0.0013","17.701","0.003","90","","102.626","0.002","90","","1820.5","0.5","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Mark S. Taylor; Eric N. Jacobsen","Enantioselective Michael Additions to α,β-Unsaturated Imides Catalyzed by a Salen-Al Complex","Journal of the American Chemical Society","2003","125","","11204","11205","10.1021/ja037177o","","","0.71073","MoKα","","0.0717","0.0635","","","0.1329","0.1368","","","","","","1.236","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114161","26.8378","0.0015","7.2109","0.0004","34.9225","0.0018","90","","90","","90","","6758.4","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H24 Br2 N4 Ni -","- C48 H24 Br2 N4 Ni -","- C384 H192 Br16 N32 Ni8 -","8","1","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.1584","0.0539","","","0.0778","0.0953","","","","","","0.792","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114162","12.973","0.0007","19.9685","0.0013","35.238","0.002","90","","90","","90","","9128.5","0.9","120","2","120","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C60 H38 I2 N4 Ni -","- C58.56 H25 I2 N4 Ni -","- C468.48 H200 I16 N32 Ni8 -","8","1","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.2307","0.0623","","","0.0993","0.1321","","","","","","0.748","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114163","13.044","0.016","19.26","0.02","35.51","0.05","90","","90","","90","","8921","19","128","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C50 H28 Br2 Cl6 N4 Ni -","- C48.5 H27 Br2 Cl4.32 N4 Ni -","- C388 H216 Br16 Cl34.56 N32 Ni8 -","8","1","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.3019","0.1168","","","0.271","0.3597","","","","","","0.984","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114164","7.3867","0.0006","27.458","0.002","36.005","0.003","90","","95.371","0.005","90","","7270.6","1","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C105 H59 Cl2 N8 Ni2 -","- C50.25 H26.925 Cl N4 Ni -","- C402 H215.4 Cl8 N32 Ni8 -","8","2","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.1022","0.0656","","","0.191","0.2123","","","","","","1.07","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114165","8.0215","0.0001","8.0215","0.0001","12.2085","0.0002","90","","90","","90","","785.549","0.019","123","2","123","2","","","","","","","","5","I -4","I -4","82","","Tetraethylammoniumchloride Carbon Tetrabromide Molecular Complex 1 : 1","","- C9 H20 Br4 Cl N -","- C9 H20 Br4 Cl N -","- C18 H40 Br8 Cl2 N2 -","2","0.25","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0413","0.0365","","0.0846","0.0825","","","","1.015","1.04","1.04","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114166","8.0992","0.0003","8.0992","0.0003","12.4173","0.0005","90","","90","","90","","814.54","0.05","123","2","123","2","","","","","","","","4","I -4","I -4","82","","Tetraethylammoniumbromide Carbon Tetrabromide Molecular Complex 1 : 1","","- C9 H20 Br5 N -","- C9 H20 Br5 N -","- C18 H40 Br10 N2 -","2","0.25","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0269","0.0261","","0.0645","0.0642","","","","1.171","1.174","1.174","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114167","8.2859","0.0001","8.2859","0.0001","12.9194","0.0001","90","","90","","90","","886.996","0.017","123","2","123","2","","","","","","","","5","I -4","I -4","82","","Tetraethylammoniumiodide Carbon Tetrabromide Molecular Complex 1 : 1","","- C9 H20 Br4 I N -","- C9 H20 Br4 I N -","- C18 H40 Br8 I2 N2 -","2","0.25","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0454","0.0414","","0.0972","0.0922","","","","1.26","1.277","1.277","","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114168","12.185","0.0003","12.185","0.0003","12.185","0.0003","90","","90","","90","","1809.16","0.08","123","2","123","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Carbon tetrabromide/Tetramethylammonium bromide Molecular complex 2:1","","- C6 H12 Br9 N -","- C7.76 H13.44 Br9 N -","- C31.04 H53.76 Br36 N4 -","4","0.0208333","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0181","0.0169","","0.0444","0.0427","","","","0.786","0.789","0.789","","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114169","12.398","0.0014","12.398","0.0014","12.398","0.0014","90","","90","","90","","1905.7","0.4","123","2","123","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Carbon tetrabromide/Tetramethylammonium iodide Molecular complex 2:1","","- C6 H12 Br8 I N -","- C7.76 H13.44 Br8 I N -","- C31.04 H53.76 Br32 I4 N4 -","4","0.0208333","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0205","0.0201","","0.0528","0.0527","","","","1.162","1.18","1.18","","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114170","8.4857","0.0001","18.7993","0.0003","13.0299","0.0003","90","","99.992","0.001","90","","2047.07","0.06","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetrapropylammoniumbromide Carbon Tetrabromide Molecular Complex 1 : 1","","- C13 H28 Br5 N -","- C13 H28 Br5 N -","- C52 H112 Br20 N4 -","4","1","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.087","0.0459","","0.0894","0.0747","","","","1.134","1.146","1.146","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114171","8.2859","0.0001","22.4833","0.0004","8.3652","0.0001","90","","114.661","0.001","90","","1416.25","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrabutylammoniumbromide Carbon Tetrabromide Molecular Complex 1 : 1 Aceton solvate","","- C20 H42 Br5 N O -","- C20 H42 Br5 N O -","- C40 H84 Br10 N2 O2 -","2","1","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0575","0.0438","","0.1038","0.0945","","","","1.113","1.104","1.104","","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114172","7.6795","0.0001","12.9359","0.0001","16.5349","0.0001","90","","101.481","0.001","90","","1609.73","0.03","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1-Aza-8-azoniabicyclo(5.4.0)undec-7-ene bromide)/(carbon tetrabromide) molecular complex 1:1","","- C10 H17 Br5 N2 -","- C10 H17 Br5 N2 -","- C40 H68 Br20 N8 -","4","1","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0486","0.0322","","0.0717","0.0652","","","","1.046","1.064","1.064","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114173","21.086","0.002","11.8827","0.001","20.674","0.002","90","","111.38","0.002","90","","4823.6","0.8","123","2","123","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Carbon Tetrabromide","","- C Br4 -","- C Br4 -","- C32 Br128 -","32","4","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0888","0.0431","","0.1239","0.0959","","","","1.008","1.07","1.07","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114174","14.21","0.0009","14.417","0.0011","36.219","0.002","88.679","0.004","83.103","0.004","90.055","0.004","7364.3","0.8","120","","120","","","","","","","","","6","P -1","-P 1","2","","2-Phenyl-1,4,5-tris(tri-tert-butylsilyl)-1,4,5-trigermabicyclo [2.1.0]pent-2-en-5-ylium tetrakis(pentafluorophenyl)borate","","- C68 H87 B F20 Ge3 Si3 -","- C68 H87 B F20 Ge3 Si3 -","- C272 H348 B4 F80 Ge12 Si12 -","4","2","","Yutaka Ishida; Akira Sekiguchi; Yoshio Kabe","1,4,5-Trigermabicyclo[2.1.0]pent-2-en-5-ylium: The Isolable Bishomocyclopropenylium Ion Containing a Heavier Group 14 Element","Journal of the American Chemical Society","2003","125","","11468","11469","10.1021/ja030327a","","","0.7107","MoKα","","0.1465","0.0802","","","0.1901","0.2235","","","","","","1.034","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114175","5.7781","0.0002","15.209","0.0004","20.4982","0.0007","90","","90","","90","","1801.36","0.1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Ryan R. Huddleston; Hye-Young Jang; Michael J. Krische","First Catalytic Reductive Coupling of 1,3-Diynes to Carbonyl Partners: A New Regio- and Enantioselective C-C Bond Forming Hydrogenation","Journal of the American Chemical Society","2003","125","","11488","11489","10.1021/ja030415v","","","0.71073","MoKα","","0.1221","0.0657","","","0.0966","0.1175","","","","","","1.143","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114176","15.0817","0.0001","18.3646","0.0001","16.995","0.0002","90","","91.718","0.001","90","","4704.98","0.07","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 Fe N O P2 S4 -","- C52 H46 Fe N O P2 S4 -","- C208 H184 Fe4 N4 O4 P8 S16 -","4","1","","Chien-Ming Lee; Chung-Hung Hsieh; Amitava Dutta; Gene-Hsiang Lee; Wen-Feng Liaw","Oxygen Binding to Sulfur in Nitrosylated Iron-Thiolate Complexes: Relevance to the Fe-Containing Nitrile Hydratases","Journal of the American Chemical Society","2003","125","","11492","11493","10.1021/ja035292t","","","0.71073","MoKα","","0.0893","0.0495","","0.1296","0.1086","","","","1.005","1.076","1.076","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114177","10.05","0.002","14.599","0.003","17.125","0.003","109.24","0.02","94.64","0.02","95.99","0.02","2341.4","0.9","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H40 Cl2 Fe N2 O P2 S4 -","- C49 H40 Cl2 Fe N2 O P2 S4 -","- C98 H80 Cl4 Fe2 N4 O2 P4 S8 -","2","1","","Chien-Ming Lee; Chung-Hung Hsieh; Amitava Dutta; Gene-Hsiang Lee; Wen-Feng Liaw","Oxygen Binding to Sulfur in Nitrosylated Iron-Thiolate Complexes: Relevance to the Fe-Containing Nitrile Hydratases","Journal of the American Chemical Society","2003","125","","11492","11493","10.1021/ja035292t","","","0.71073","MoKα","","0.0574","0.0363","","0.1054","0.0971","","","","1.063","1.169","1.169","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114178","10.7699","0.0001","14.0136","0.0001","16.5901","0.0001","81.6595","0.0003","76.9557","0.0003","82.2321","0.0003","2399.79","0.03","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H46 Fe N2 O4 P2 S4 -","- C52 H46 Fe N2 O4 P2 S4 -","- C104 H92 Fe2 N4 O8 P4 S8 -","2","1","","Chien-Ming Lee; Chung-Hung Hsieh; Amitava Dutta; Gene-Hsiang Lee; Wen-Feng Liaw","Oxygen Binding to Sulfur in Nitrosylated Iron-Thiolate Complexes: Relevance to the Fe-Containing Nitrile Hydratases","Journal of the American Chemical Society","2003","125","","11492","11493","10.1021/ja035292t","","","0.71073","MoKα","","0.0782","0.0544","","","0.1486","0.1659","","","","","","1.052","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114179","13.2247","0.0002","13.8868","0.0002","15.9278","0.0003","89.5086","0.0006","69.3227","0.0005","85.1561","0.0007","2726.21","0.08","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C102 H88 Cl12 Fe2 N4 O10 P4 S8 -","- C102 H88 Cl12 Fe2 N4 O10 P4 S8 -","- C102 H88 Cl12 Fe2 N4 O10 P4 S8 -","1","0.5","","Chien-Ming Lee; Chung-Hung Hsieh; Amitava Dutta; Gene-Hsiang Lee; Wen-Feng Liaw","Oxygen Binding to Sulfur in Nitrosylated Iron-Thiolate Complexes: Relevance to the Fe-Containing Nitrile Hydratases","Journal of the American Chemical Society","2003","125","","11492","11493","10.1021/ja035292t","","","0.71073","MoKα","","0.1046","0.054","","","0.1216","0.1566","","","","","","1.085","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114180","5.1518","0.0004","36.487","0.003","7.9179","0.0006","90","","99.987","0.01","90","","1465.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","EDT-TTF-(CONH2)2","","","- C10 H8 N2 O2 S6 -","- C10 H4 N2 O2 S6 -","- C40 H16 N8 O8 S24 -","4","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Pascale Auban-Senzier","Singular Crystalline β'-Layered Topologies Directed by Ribbons of Self-Complementary Amide...Amide Ring Motifs in [EDT-TTF-(CONH2)2]2X (X = HSO4-, ClO4-, ReO4-, AsF6-): Coupled Activation of Ribbon Curvature, Electron Interactions, and Magnetic Susceptibility","Journal of the American Chemical Society","2003","125","","11583","11590","10.1021/ja0356129","","","0.71073","MoKα","","0.0921","0.0354","","","0.0603","0.0684","","","","","","0.686","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114181","15.37","0.0012","12.3553","0.0013","16.8756","0.0013","90","","98.138","0.009","90","","3172.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[EDT-TTF-(CONH2)2]2 ClO4","","","- C20 H16 Cl N4 O8 S12 -","- C20 H16 Cl N4 O8 S12 -","- C80 H64 Cl4 N16 O32 S48 -","4","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Pascale Auban-Senzier","Singular Crystalline β'-Layered Topologies Directed by Ribbons of Self-Complementary Amide...Amide Ring Motifs in [EDT-TTF-(CONH2)2]2X (X = HSO4-, ClO4-, ReO4-, AsF6-): Coupled Activation of Ribbon Curvature, Electron Interactions, and Magnetic Susceptibility","Journal of the American Chemical Society","2003","125","","11583","11590","10.1021/ja0356129","","","0.71073","MoKα","","0.0914","0.0373","","","0.0672","0.0757","","","","","","0.694","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114182","15.1947","0.0009","12.2388","0.0009","17.1149","0.0011","90","","99.799","0.007","90","","3136.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(EDT-TTF-(CONH2)2)2 HSO4","","","- C20 H17 N4 O8 S13 -","- C20 H16 N4 O8 S13 -","- C80 H64 N16 O32 S52 -","4","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Pascale Auban-Senzier","Singular Crystalline β'-Layered Topologies Directed by Ribbons of Self-Complementary Amide...Amide Ring Motifs in [EDT-TTF-(CONH2)2]2X (X = HSO4-, ClO4-, ReO4-, AsF6-): Coupled Activation of Ribbon Curvature, Electron Interactions, and Magnetic Susceptibility","Journal of the American Chemical Society","2003","125","","11583","11590","10.1021/ja0356129","","","0.71073","MoKα","","0.0694","0.0346","","","0.0593","0.0641","","","","","","0.793","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114183","8.9713","0.001","12.4561","0.0014","12.7006","0.0015","114.258","0.013","105.477","0.014","92.126","0.014","1229.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(EDT-TTF-(CONH2))2 (Mo6Cl14)","","","- C20 H16 Cl14 Mo6 N4 O4 S12 -","- C20 H16 Cl14 Mo6 N4 O4 S12 -","- C20 H16 Cl14 Mo6 N4 O4 S12 -","1","0.5","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Pascale Auban-Senzier","Singular Crystalline β'-Layered Topologies Directed by Ribbons of Self-Complementary Amide...Amide Ring Motifs in [EDT-TTF-(CONH2)2]2X (X = HSO4-, ClO4-, ReO4-, AsF6-): Coupled Activation of Ribbon Curvature, Electron Interactions, and Magnetic Susceptibility","Journal of the American Chemical Society","2003","125","","11583","11590","10.1021/ja0356129","","","0.71073","MoKα","","0.0373","0.0224","","","0.0462","0.0484","","","","","","0.881","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114184","5.833","0.0016","7.4593","0.0019","9.197","0.003","104.32","0.03","98.85","0.03","105.09","0.03","364","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H4 N2 O3 S2 -","- C5 H4 N2 O3 S2 -","- C10 H8 N4 O6 S4 -","2","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Pascale Auban-Senzier","Singular Crystalline β'-Layered Topologies Directed by Ribbons of Self-Complementary Amide...Amide Ring Motifs in [EDT-TTF-(CONH2)2]2X (X = HSO4-, ClO4-, ReO4-, AsF6-): Coupled Activation of Ribbon Curvature, Electron Interactions, and Magnetic Susceptibility","Journal of the American Chemical Society","2003","125","","11583","11590","10.1021/ja0356129","","","0.71073","MoKα","","0.0383","0.0265","","","0.0618","0.0658","","","","","","0.951","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114185","27.411","0.002","14.094","0.0008","15.5937","0.0009","90","","104.125","0.002","90","","5842.2","0.6","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Ar'GeCl]2.toluene","","","- C67 H82 Cl2 Ge2 -","- C67 H83 Cl2 Ge2 -","- C268 H332 Cl8 Ge8 -","4","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.0482","0.0356","","","0.0872","0.0957","","","","","","1.038","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114186","13.3297","0.0007","14.1189","0.0009","14.4249","0.001","90","","97.247","0.003","90","","2693.1","0.3","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Dipp*SnCl]~2~","","","- C60 H74 Cl2 Sn2 -","- C60 H74 Cl2 Sn2 -","- C120 H148 Cl4 Sn4 -","2","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.0771","0.0697","","","0.192","0.1997","","","","","","1.076","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114187","14.2725","0.0015","20.169","0.002","24.16","0.002","90","","98.192","0.008","90","","6883.8","1.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Bert*Ge]2Na.0.5hexane","","","- C75 H105 Ge2 Na -","- C75 H105 Ge2 Na -","- C300 H420 Ge8 Na4 -","4","1","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","1.54178","CuKα","","0.0676","0.0479","","","0.1056","0.1159","","","","","","1.02","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114188","10.6822","0.0013","19.393","0.002","26.455","0.003","90","","93.599","0.002","90","","5469.6","1.1","91","2","91","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dipp*GeGeDipp*K","","","- C60 H74 Ge2 K -","- C60 H74 Ge2 K -","- C240 H296 Ge8 K4 -","4","1","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.0473","0.0371","","","0.0922","0.0983","","","","","","1.051","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114189","9.617","0.002","12.705","0.003","12.833","0.004","113.68","0.005","97.789","0.009","110.46","0.02","1273.9","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(Dipp*GeLi)2","","","- C60 H74 Ge2 Li2 -","- C60 H74 Ge2 Li2 -","- C60 H74 Ge2 Li2 -","1","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.066","0.0486","","","0.1121","0.1174","","","","","","1.068","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114190","12.5633","0.0013","12.8465","0.0012","15.1597","0.0011","81.996","0.007","74.24","0.007","65.17","0.007","2136.2","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","K2[Bert*Ge]2.4benzene","","","- C96 H122 Ge2 K2 -","- C96.06 H116 Ge2 K2 -","- C96.06 H116 Ge2 K2 -","1","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","1.54178","CuKα","","0.0421","0.0376","","","0.0965","0.0994","","","","","","1.054","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114191","17.433","0.002","18.014","0.003","14.475","0.0018","90","","96.551","0.004","90","","4516","1.1","143","2","143","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","(Dipp*Sn)2K(THF)6.2THF","","","- C88 H130 K O8 Sn2 -","- C88 H130 K O8 Sn2 -","- C176 H260 K2 O16 Sn4 -","2","0.25","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.0705","0.0546","","","0.1542","0.175","","","","","","1.154","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114192","16.72","0.004","16.72","0.004","29.616","0.006","90","","90","","90","","8279","3","140","2","140","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","(NaSnBert*)~2~^.^3benzene","","","- C90 H116 Na2 Sn2 -","- C90 H116 Na2 Sn2 -","- C360 H464 Na8 Sn8 -","4","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.121","0.0604","","","0.0928","0.1122","","","","","","1.005","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114193","26.268","0.002","18.7851","0.0016","15.0562","0.0013","90","","111.697","0.002","90","","6903.1","1","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(Dipp*SnK)2.1.5C6H6","","","- C78 H92 K2 Sn2 -","- C79 H92 K2 Sn2 -","- C316 H368 K8 Sn8 -","4","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.0284","0.0242","","","0.0586","0.0617","","","","","","1.038","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114194","36.004","0.0005","36.004","0.0005","36.004","0.0005","90","","90","","90","","46671.6","1.1","129","","293","2","","","","","","","synthetic","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C33 H68 Cl18 N2 W6 -","- C33 H54 Cl18 N2 W6 -","- C1056 H1728 Cl576 N64 W192 -","32","0.166667","","Eric J. Welch; Nathan R. M. Crawford; Robert G. Bergman; Jeffrey R. Long","New Routes to Transition Metal-Carbido Species: Synthesis and Characterization of the Carbon-Centered Trigonal Prismatic Clusters [W6CCl18]n- (n= 1, 2, 3)","Journal of the American Chemical Society","2003","125","","11464","11465","10.1021/ja035962v","","","0.71073","MoKα","","0.0547","0.0428","","0.1142","0.1032","","","","1.126","1.131","1.131","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114195","12.4658","0.0005","13.2168","0.0005","13.6449","0.0005","99.757","0.002","113.24","0.001","92.073","0.002","2022.59","0.14","113","","293","2","","","","","","","synthetic","5","P -1","-P 1","2","","","","- C17 H36 Cl18 N W6 -","- C17 Cl18 N W6 -","- C34 Cl36 N2 W12 -","2","1","","Eric J. Welch; Nathan R. M. Crawford; Robert G. Bergman; Jeffrey R. Long","New Routes to Transition Metal-Carbido Species: Synthesis and Characterization of the Carbon-Centered Trigonal Prismatic Clusters [W6CCl18]n- (n= 1, 2, 3)","Journal of the American Chemical Society","2003","125","","11464","11465","10.1021/ja035962v","","","0.71073","MoKα","","0.0742","0.0492","","0.1347","0.1193","","","","1.018","1.063","1.063","","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114196","14.069","0.003","39.385","0.01","15.887","0.003","90","","93.928","0.013","90","","8782","3","120","","273","2","","","","","","","synthetic","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H73 Cl18 N O P3 W6 -","- C79 H73 Cl18 N O P3 W6 -","- C316 H292 Cl72 N4 O4 P12 W24 -","4","1","","Eric J. Welch; Nathan R. M. Crawford; Robert G. Bergman; Jeffrey R. Long","New Routes to Transition Metal-Carbido Species: Synthesis and Characterization of the Carbon-Centered Trigonal Prismatic Clusters [W6CCl18]n- (n= 1, 2, 3)","Journal of the American Chemical Society","2003","125","","11464","11465","10.1021/ja035962v","","","0.71073","MoKα","","0.1098","0.0563","","0.1315","0.1117","","","","0.989","1.074","1.074","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114197","6.9308","0.0018","7.6574","0.0019","33.874","0.009","90","","92.563","0.006","90","","1796","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","P. Andrew Evans; Jian Cui; Santosh J. Gharpure; Robert J. Hinkle","Stereoselective Construction of Cyclic Ethers Using a Tandem Two-Component Etherification: Elucidation of the Role of Bismuth Tribromide","Journal of the American Chemical Society","2003","125","","11456","11457","10.1021/ja036439j","","","0.71073","MoKα","","0.0656","0.0555","","","0.1249","0.1296","","","","","","1.171","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114198","19.2443","0.0016","25.525","0.002","24.118","0.003","90","","108.666","0.01","90","","11224","2","148","","148","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C113.37 H126.74 B2 Cl4.74 N12 O4 Zn2 -","- C114 H128 B2 Cl6 N12 O4 Zn2 -","- C456 H512 B8 Cl24 N48 O16 Zn8 -","4","1","","David A. Shultz; Rosario M. Fico; Scot H. Bodnar; R. Krishna Kumar; Kira E. Vostrikova; Jeff W. Kampf; Paul D. Boyle","Trends in Exchange Coupling for Trimethylenemethane-Type Bis(semiquinone) Biradicals and Correlation of Magnetic Exchange with Mixed Valency for Cross-Conjugated Systems","Journal of the American Chemical Society","2003","125","","11761","11771","10.1021/ja0367849","","","0.71073","MolybdenumKα","","0.092","0.091","","0.091","0.09","","","","","1.55","1.55","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114199","18.2397","0.0013","18.3714","0.0014","18.363","0.0013","81.61","0.004","67.429","0.003","70.397","0.003","5351.6","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C113.5 H141 B2 Cl N12 O4 Zn2 -","- C113 H140 B2 N12 O4 Zn2 -","- C226 H280 B4 N24 O8 Zn4 -","2","1","","David A. Shultz; Rosario M. Fico; Scot H. Bodnar; R. Krishna Kumar; Kira E. Vostrikova; Jeff W. Kampf; Paul D. Boyle","Trends in Exchange Coupling for Trimethylenemethane-Type Bis(semiquinone) Biradicals and Correlation of Magnetic Exchange with Mixed Valency for Cross-Conjugated Systems","Journal of the American Chemical Society","2003","125","","11761","11771","10.1021/ja0367849","","","0.71073","MoKα","","0.1488","0.0814","","","0.2151","0.244","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114200","32.376","0.002","18.979","0.0012","18.4471","0.0012","90","","116.337","0.003","90","","10158.5","1.1","118","2","118","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H128 B2 Cl4 N12 O4 Zn2 -","- C108 H128 B2 Cl4 N12 O4 Zn2 -","- C432 H512 B8 Cl16 N48 O16 Zn8 -","4","0.5","","David A. Shultz; Rosario M. Fico; Scot H. Bodnar; R. Krishna Kumar; Kira E. Vostrikova; Jeff W. Kampf; Paul D. Boyle","Trends in Exchange Coupling for Trimethylenemethane-Type Bis(semiquinone) Biradicals and Correlation of Magnetic Exchange with Mixed Valency for Cross-Conjugated Systems","Journal of the American Chemical Society","2003","125","","11761","11771","10.1021/ja0367849","","","0.71073","MoKα","","0.1366","0.0903","","","0.2638","0.3128","","","","","","1.025","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114201","13.3366","0.0013","18.8734","0.0018","27.555","0.003","106.665","0.002","96.63","0.002","104.208","0.002","6310.9","1.1","293","2","158","2","","","","","","","","7","P -1","-P 1","2","","","","- C111 H133 B2 Cl4 N12 O4 Zn2 -","- C111 H133 B2 Cl4 N12 O4 Zn2 -","- C222 H266 B4 Cl8 N24 O8 Zn4 -","2","1","","David A. Shultz; Rosario M. Fico; Scot H. Bodnar; R. Krishna Kumar; Kira E. Vostrikova; Jeff W. Kampf; Paul D. Boyle","Trends in Exchange Coupling for Trimethylenemethane-Type Bis(semiquinone) Biradicals and Correlation of Magnetic Exchange with Mixed Valency for Cross-Conjugated Systems","Journal of the American Chemical Society","2003","125","","11761","11771","10.1021/ja0367849","","","0.71073","MoKα","","0.117","0.0941","","","0.2774","0.285","","","","","","2.159","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114202","15.8309","0.0015","18.2583","0.0018","24.387","0.002","100.534","0.003","96.673","0.003","113.552","0.003","6211.2","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C114.5 H142 B2 Cl9 N12 O4 Zn2 -","- C114 H140 B2 Cl8 N12 O4 Zn2 -","- C228 H280 B4 Cl16 N24 O8 Zn4 -","2","1","","David A. Shultz; Rosario M. Fico; Scot H. Bodnar; R. Krishna Kumar; Kira E. Vostrikova; Jeff W. Kampf; Paul D. Boyle","Trends in Exchange Coupling for Trimethylenemethane-Type Bis(semiquinone) Biradicals and Correlation of Magnetic Exchange with Mixed Valency for Cross-Conjugated Systems","Journal of the American Chemical Society","2003","125","","11761","11771","10.1021/ja0367849","","","0.71073","MoKα","","0.1136","0.0821","","","0.2337","0.2446","","","","","","1.599","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114203","10.3906","","9.6213","0.0001","13.4593","0.0005","90","","95.347","0.002","90","","1339.69","0.05","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 N O3 Si -","- C26 H37 N O3 Si -","- C52 H74 N2 O6 Si2 -","2","1","","Naoki Kise; Hiroshi Ozaki; Noriaki Moriyama; Yasuo Kitagishi; Nasuo Ueda","Electroreductive Intramolecular Coupling of Chiral α-Imino Esters: Stereoselective Synthesis of Mixed Ketals of cis-2,4-Disubstituted Azetidine-3-ones","Journal of the American Chemical Society","2003","125","","11591","11596","10.1021/ja036975b","","","0.7107","MoKα","","","0.059","","","","0.195","","","","","","1.002","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114204","8.8306","0.0011","9.2307","0.0011","10.8926","0.0014","68.412","0.002","67.056","0.002","75.297","0.002","753.94","0.16","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 I2 O6 U -","- C8 H22 I0.685 N0.315 O4.945 U0.5 -","- C16 H44 I1.37 N0.63 O9.89 U -","2","1","","Margaret-Jane Crawford; Arkady Ellern; Heinrich Nöth; Max Suter","Synthesis and Structure of UO2I2(OH2)2.4Et2O: First Structurally Characterized U(VI)-I Bond and Lightest Missing Member of the UO2X2 (X = Halide) Series","Journal of the American Chemical Society","2003","125","","11778","11779","10.1021/ja030260r","","","0.71073","MoKα","","0.035","0.0323","","","0.0846","0.0873","","","","","","1.054","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4114205","10.582","0.002","13.246","0.003","14.854","0.003","102.93","0.004","96.721","0.007","102.373","0.011","1952.2","0.7","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Fe(OEPO)(NO)(pyridine)]~2~^.^pyridine","","","- C87 H101 Fe2 N13 O4 -","- C87 H101 Fe2 N13 O4 -","- C87 H101 Fe2 N13 O4 -","1","0.5","","Sankar Prasad Rath; Richard Koerner; Marilyn M. Olmstead; Alan L. Balch","Reversible Binding of Nitric Oxide and Carbon-Carbon Bond Formation in a Meso-hydroxylated Heme","Journal of the American Chemical Society","2003","125","","11798","11799","10.1021/ja035032b","","","0.71073","MoKα","","0.1157","0.0554","","","0.1148","0.135","","","","","","1.025","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114206","20.0878","0.001","20.0878","0.001","23.882","0.003","90","","90","","120","","8345.8","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 Cu F20 N4 -","- C44 H8 Cu F20 N4 -","- C396 H72 Cu9 F180 N36 -","9","0.5","","Hiromitsu Maeda; Yuichi Ishikawa; Tomoyuki Matsuda; Atsuhiro Osuka; Hiroyuki Furuta","Control of Cu(II) and Cu(III) States in N-Confused Porphyrin by Protonation/Deprotonation at the Peripheral Nitrogen","Journal of the American Chemical Society","2003","125","","11822","11823","10.1021/ja0356075","","","0.71073","MoKα","","0.0947","0.0681","","","0.1757","0.2006","","","","","","1.038","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114207","17.6761","0.0006","9.1902","0.0003","19.6839","0.0007","90","","103.483","0.001","90","","3109.46","0.18","141.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H43 N5 O4 S2 Zr -","- C26 H43 N5 O4 S2 Zr -","- C104 H172 N20 O16 S8 Zr4 -","4","2","","Lutz Ackermann; Robert G. Bergman; Rebecca N. Loy","Use of Group 4 Bis(sulfonamido) Complexes in the Intramolecular Hydroamination of Alkynes and Allenes","Journal of the American Chemical Society","2003","125","","11956","11963","10.1021/ja0361547","","","0.7107","MoKα","","","0.0396","","","","0.0455","","","","","","1.243","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114208","10.6","0.04","11.945","0.014","14.71","0.05","98.97","0.19","99.1","0.3","111","0.3","1671","10","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H53 N O2 Sn -","- C31 H53 N O2 Sn -","- C62 H106 N2 O4 Sn2 -","2","1","","Asunción Barbero; Francisco J. Pulido; Juan A. Rincón","Addition of Organometallic Compounds to Tin-Containing Cyclic Ketones. Remote Stereocontrol Induced by the Stannyl Group","Journal of the American Chemical Society","2003","125","","12049","12056","10.1021/ja036340c","","","0.71073","MoKα","","0.2748","0.0721","","","0.1699","0.2835","","","","","","0.863","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114209","11.483","","12.888","","15.22","","97.31","","97.65","","100.65","","2167.13","","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C41 H49 B9 Cl2 P2 Ru S -","- C41 H49 B9 Cl2 P2 Ru S -","- C82 H98 B18 Cl4 P4 Ru2 S2 -","2","1","","Oscar Tutusaus; Clara Viñas; Rosario Núñez; Francesc Teixidor; Albert Demonceau; Sébastien Delfosse; Alfred F. Noels; Ignasi Mata; Elies Molins","The Modulating Possibilities of Dicarbollide Clusters: Optimizing the Kharasch Catalysts","Journal of the American Chemical Society","2003","125","","11830","11831","10.1021/ja036342x","","x-ray","0.71073","MoKα","","0.2209","0.082","","","0.1809","0.2315","","","","","","0.96","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114210","10.9857","0.0016","14.119","0.002","16.374","0.002","90","","90","","90","","2539.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H21 N2 O6 P -","- C30 H21 N2 O6 P -","- C120 H84 N8 O24 P4 -","4","1","","Thomas P. Clark; Clark R. Landis","Resolved Chiral 3,4-Diazaphospholanes and Their Application to Catalytic Asymmetric Allylic Alkylation","Journal of the American Chemical Society","2003","125","","11792","11793","10.1021/ja036359f","","","0.71073","MoKα","","0.0362","0.034","","","0.084","0.0853","","","","","","1.047","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114211","8.822","0.002","10.189","0.002","12.997","0.002","104.96","0.03","98.34","0.03","108.47","0.03","1037.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","anne","","","- C23 H30 O2 S -","- C23 H30 O2 S -","- C46 H60 O4 S2 -","2","1","","Genia Sklute; Deborah Amsallem; Amal Shabli; Jos P. Varghese; Ilan Marek","Four-Component Reactions for a New Diastereoselective Synthesis of Chiral Quaternary Centers","Journal of the American Chemical Society","2003","125","","11776","11777","10.1021/ja036872t","","","0.7107","MoKα","","0.1408","0.0687","","","0.1693","0.2108","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114212","11.105","0.002","16.363","0.003","12","0.002","90","","114.12","0.03","90","","1990.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Marek-5 Dvora","","","- C22 H28 O2 S -","- C22 H28 O2 S -","- C88 H112 O8 S4 -","4","1","","Genia Sklute; Deborah Amsallem; Amal Shabli; Jos P. Varghese; Ilan Marek","Four-Component Reactions for a New Diastereoselective Synthesis of Chiral Quaternary Centers","Journal of the American Chemical Society","2003","125","","11776","11777","10.1021/ja036872t","","","0.71073","MoKα","","0.0997","0.0554","","","0.1266","0.1383","","","","","","0.875","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114213","8.999","0.002","13.651","0.003","13.679","0.003","65.48","0.02","72.5","0.02","72.4","0.02","1427.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Marek-6 Dvora","","","- C30 H37 N O3 S2 -","- C30 H37 N O3 S2 -","- C60 H74 N2 O6 S4 -","2","1","","Genia Sklute; Deborah Amsallem; Amal Shabli; Jos P. Varghese; Ilan Marek","Four-Component Reactions for a New Diastereoselective Synthesis of Chiral Quaternary Centers","Journal of the American Chemical Society","2003","125","","11776","11777","10.1021/ja036872t","","","0.71073","MoKα","","0.1526","0.0576","","","0.1076","0.1295","","","","","","0.875","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114214","8.145","0.009","13.984","0.012","15.698","0.014","90","","110","0.01","90","","1680","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 I N3 -","- C14 H28 I N3 -","- C56 H112 I4 N12 -","4","1","","Thomas W. Bell; Heung-Jin Choi; William Harte; Michael G. B. Drew","Syntheses, Conformations, and Basicities of Bicyclic Triamines","Journal of the American Chemical Society","2003","125","","12196","12210","10.1021/ja030236d","","","0.71073","MoKα","","0.175","0.073","","","0.073","0.175","","","","","","0.946","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114215","13.867","0.011","13.898","0.012","11.504","0.015","90","","90","","90","","2217","4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C12 H24 I N3 -","- C12 H24 I N3 -","- C96 H192 I8 N24 -","8","2","","Thomas W. Bell; Heung-Jin Choi; William Harte; Michael G. B. Drew","Syntheses, Conformations, and Basicities of Bicyclic Triamines","Journal of the American Chemical Society","2003","125","","12196","12210","10.1021/ja030236d","","","0.71073","MoKα","","0.172","0.084","","","0.086","0.177","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114216","34.5261","0.0022","6.0759","0.0004","10.5382","0.0009","90","","101.678","0.0026","90","","2164.9","0.3","150","1","150","1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H11 N3 -","- C19 H11 N3 -","- C114 H66 N18 -","6","1.5","","Takuya Yamamoto; Atta M. Arif; Peter J. Stang","Dynamic Equilibrium of a Supramolecular Dimeric Rhomboid and Trimeric Hexagon and Determination of Its Thermodynamic Constants","Journal of the American Chemical Society","2003","125","","12309","12317","10.1021/ja0302984","","","0.71073","MoKα","","0.1101","0.0663","","","0.14","0.1582","","","","","","1.129","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114217","8.6749","0.0002","9.0021","0.0002","23.7069","0.0006","92.233","0.0008","97.2203","0.0008","101.041","0.0016","1798.87","0.07","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C55 H62 F12 N6 O13 P4 Pt2 S4 -","- C55 H58 F12 N6 O13 P4 Pt2 S4 -","- C55 H58 F12 N6 O13 P4 Pt2 S4 -","1","0.5","","Takuya Yamamoto; Atta M. Arif; Peter J. Stang","Dynamic Equilibrium of a Supramolecular Dimeric Rhomboid and Trimeric Hexagon and Determination of Its Thermodynamic Constants","Journal of the American Chemical Society","2003","125","","12309","12317","10.1021/ja0302984","","","0.71073","MoKα","","0.0465","0.0404","","","0.1007","0.1046","","","","","","1.051","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114218","8.7747","0.0001","8.898","0.0001","24.3946","0.0004","99.106","0.001","95.762","0.001","99.214","0.001","1840.88","0.04","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C58 H68 F12 N6 O13 P4 Pt2 S4 -","- C58 H68 F12 N6 O13 P4 Pt2 S4 -","- C58 H68 F12 N6 O13 P4 Pt2 S4 -","1","0.5","","Takuya Yamamoto; Atta M. Arif; Peter J. Stang","Dynamic Equilibrium of a Supramolecular Dimeric Rhomboid and Trimeric Hexagon and Determination of Its Thermodynamic Constants","Journal of the American Chemical Society","2003","125","","12309","12317","10.1021/ja0302984","","","0.71073","MoKα","","0.0331","0.0292","","","0.0669","0.0689","","","","","","1.06","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114219","8.705","0.0015","13.351","0.002","13.484","0.002","87.207","0.003","84.974","0.003","81.127","0.003","1541.4","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 F3 Mn N3 O -","- C14 H19 F3 Mn N3 O -","- C56 H76 F12 Mn4 N12 O4 -","4","2","","Claire Mantel; Alia K. Hassan; Jacques Pécaut; Alain Deronzier; Marie-Noëlle Collomb; Carole Duboc-Toia","A High-Frequency and High-Field EPR Study of New Azide and Fluoride Mononuclear Mn(III) Complexes","Journal of the American Chemical Society","2003","125","","12337","12344","10.1021/ja034652+","","","0.71073","MoKα","","0.05","0.0365","","","0.0959","0.1004","","","","","","0.979","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114220","8.5919","0.0006","15.7208","0.0011","27.2838","0.0019","90","","90","","90","","3685.3","0.4","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Mn N12 -","- C14 H17 Mn N12 -","- C112 H136 Mn8 N96 -","8","1","","Claire Mantel; Alia K. Hassan; Jacques Pécaut; Alain Deronzier; Marie-Noëlle Collomb; Carole Duboc-Toia","A High-Frequency and High-Field EPR Study of New Azide and Fluoride Mononuclear Mn(III) Complexes","Journal of the American Chemical Society","2003","125","","12337","12344","10.1021/ja034652+","","","0.71073","MoKα","","0.0603","0.0303","","","0.0645","0.0691","","","","","","0.897","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114221","10.0235","0.0008","9.8795","0.0008","16.5225","0.0013","90","","101.181","0.002","90","","1605.1","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15.6 F3 Mn N3 O1.3 -","- C16 H15.6022 F3 Mn N3 O1.3011 -","- C64 H62.4088 F12 Mn4 N12 O5.2044 -","4","1","","Claire Mantel; Alia K. Hassan; Jacques Pécaut; Alain Deronzier; Marie-Noëlle Collomb; Carole Duboc-Toia","A High-Frequency and High-Field EPR Study of New Azide and Fluoride Mononuclear Mn(III) Complexes","Journal of the American Chemical Society","2003","125","","12337","12344","10.1021/ja034652+","","","0.71073","MoKα","","0.0819","0.0472","","","0.1047","0.1124","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114222","12.653","0.005","11.538","0.005","18.794","0.005","90","","97.116","0.005","90","","2722.6","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cl7 N2 O2 -","- C18 H27 Cl7 N2 O2 -","- C72 H108 Cl28 N8 O8 -","4","1","","Pierre Braunstein; Olivier Siri; Jean-philippe Taquet; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","A 6π + 6π Potentially Antiaromatic Zwitterion Preferred to a Quinoidal Structure: Its Reactivity Toward Organic and Inorganic Reagents","Journal of the American Chemical Society","2003","125","","12246","12256","10.1021/ja0354622","","","0.71069","MoKα","","0.1363","0.0861","","","0.2014","0.2145","","","","","","1.128","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114223","32.358","0.002","13.502","0.002","24.127","0.002","90","0.01","116.35","0.05","90","0.01","9446","4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H31 B Cl2 F4 N2 O2 -","- C18 H31 B Cl2 F4 N2 O2 -","- C288 H496 B16 Cl32 F64 N32 O32 -","16","2","","Pierre Braunstein; Olivier Siri; Jean-philippe Taquet; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","A 6π + 6π Potentially Antiaromatic Zwitterion Preferred to a Quinoidal Structure: Its Reactivity Toward Organic and Inorganic Reagents","Journal of the American Chemical Society","2003","125","","12246","12256","10.1021/ja0354622","","","0.7107","MoKα","","0.3036","0.1325","","","0.2118","0.248","","","","","","1.323","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114224","9.483","0.005","11.395","0.005","12.583","0.005","102.76","0.005","90.876","0.005","97.566","0.005","1313.2","1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Cl2 N2 O4 Pd -","- C22 H34 Cl2 N2 O4 Pd -","- C44 H68 Cl4 N4 O8 Pd2 -","2","1","","Pierre Braunstein; Olivier Siri; Jean-philippe Taquet; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","A 6π + 6π Potentially Antiaromatic Zwitterion Preferred to a Quinoidal Structure: Its Reactivity Toward Organic and Inorganic Reagents","Journal of the American Chemical Society","2003","125","","12246","12256","10.1021/ja0354622","","","0.71069","MoKα","","0.0464","0.0365","","","0.0929","0.0978","","","","","","1.029","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114225","19.827","0.005","12.558","0.005","21.186","0.005","90","0.005","90","0.005","90","0.005","5275","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C53 H54 Cl2 O12 P2 -","- C54 H52 Cl2 O12 P2 -","- C216 H208 Cl8 O48 P8 -","4","0.5","","Michele Suman; Micol Freddi; Chiara Massera; Franco Ugozzoli; Enrico Dalcanale","Rational Design of Cavitand Receptors for Mass Sensors","Journal of the American Chemical Society","2003","125","","12068","12069","10.1021/ja0355271","","","0.71073","MoKα","","0.073","0.0532","","","0.1351","0.1442","","","","","","0.947","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114226","9.3721","0.0006","16.7911","0.001","11.9364","0.0007","90","","98.028","0.001","90","","1860","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl O3 Ru -","- C20 H27 Cl O3 Ru -","- C80 H108 Cl4 O12 Ru4 -","4","1","","Yoshihiko Yamamoto; Takayasu Arakawa; Ryuji Ogawa; Kenji Itoh","Ruthenium(II)-Catalyzed Selective Intramolecular [2 + 2 + 2] Alkyne Cyclotrimerizations","Journal of the American Chemical Society","2003","125","","12143","12160","10.1021/ja0358697","","","0.71073","MoKα","","0.0344","0.0318","","","0.0855","0.0871","","","","","","1.077","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114227","16.559","0.002","7.331","0.0009","38.161","0.005","90","","90","","90","","4632.5","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl O Ru -","- C56 H58 Cl2 O2 Ru2 -","- C224 H232 Cl8 O8 Ru8 -","4","0.5","","Yoshihiko Yamamoto; Takayasu Arakawa; Ryuji Ogawa; Kenji Itoh","Ruthenium(II)-Catalyzed Selective Intramolecular [2 + 2 + 2] Alkyne Cyclotrimerizations","Journal of the American Chemical Society","2003","125","","12143","12160","10.1021/ja0358697","","","0.71073","MoKα","","0.0464","0.0437","","","0.1118","0.1179","","","","","","1.207","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114228","12.889","0.003","13.984","0.003","18.305","0.004","95.64","0.03","105.44","0.03","98.36","0.03","3113.8","1.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C73.5 H44 Ce Cl3 N16 O -","- C73.5 H41 Ce Cl3 N16 O -","- C147 H82 Ce2 Cl6 N32 O2 -","2","1","","Yongzhong Bian; Jianzhuang Jiang; Ye Tao; Michael T. M. Choi; Renjie Li; Anthony C. H. Ng; Peihua Zhu; Na Pan; Xuan Sun; Dennis P. Arnold; Zhong-Yuan Zhou; Hung-Wing Li; Thomas C. W. Mak; Dennis K. P. Ng","Tuning the Valence of the Cerium Center in (Na)phthalocyaninato and Porphyrinato Cerium Double-Deckers by Changing the Nature of the Tetrapyrrole Ligands","Journal of the American Chemical Society","2003","125","","12257","12267","10.1021/ja036017+","","","0.71073","MoKα","","0.0607","0.0577","","0.1789","0.1724","","","","1.214","1.199","1.199","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114229","29.048","0.007","10.888","0.002","26.642","0.006","90","","90","","90","","8426","3","293","2","293","2","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- C87 H74 Ce N12 -","- C87 H74 Ce N12 -","- C348 H296 Ce4 N48 -","4","0.5","","Yongzhong Bian; Jianzhuang Jiang; Ye Tao; Michael T. M. Choi; Renjie Li; Anthony C. H. Ng; Peihua Zhu; Na Pan; Xuan Sun; Dennis P. Arnold; Zhong-Yuan Zhou; Hung-Wing Li; Thomas C. W. Mak; Dennis K. P. Ng","Tuning the Valence of the Cerium Center in (Na)phthalocyaninato and Porphyrinato Cerium Double-Deckers by Changing the Nature of the Tetrapyrrole Ligands","Journal of the American Chemical Society","2003","125","","12257","12267","10.1021/ja036017+","","","0.71073","MoKα","","0.1443","0.074","","","0.2022","0.2634","","","","","","1.063","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114230","13.4244","0.0007","19.1277","0.001","9.5488","0.0005","90","","102.48","0.001","90","","2394","0.2","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 B O -","- C13 H23 B O -","- C104 H184 B8 O8 -","8","2","","Carl E. Wagner; Jang-Seob Kim; Kenneth J. Shea","The Polyhomologation of 1-Boraadamantane: Mapping the Migration Pathways of a Propagating Macrotricyclic Trialkylborane","Journal of the American Chemical Society","2003","125","","12179","12195","10.1021/ja0361291","","","0.71073","MoKα","","0.101","0.0494","","","0.1005","0.1269","","","","","","1","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114231","16.105","0.002","12.58","0.0016","13.6124","0.0017","90","","114.53","0.002","90","","2509","0.5","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 B O S -","- C12 H23 B O S -","- C96 H184 B8 O8 S8 -","8","2","","Carl E. Wagner; Jang-Seob Kim; Kenneth J. Shea","The Polyhomologation of 1-Boraadamantane: Mapping the Migration Pathways of a Propagating Macrotricyclic Trialkylborane","Journal of the American Chemical Society","2003","125","","12179","12195","10.1021/ja0361291","","","0.71073","MoKα","","0.086","0.0454","","","0.0981","0.1168","","","","","","1.023","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114232","22.74","0.004","22.735","0.003","30.569","0.005","74.971","0.005","88.762","0.006","59.955","0.004","13101","4","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C298.2 H346.8 Cl6.7 N24 O12.3 Zn6 -","- C298.2 H323.5 Cl6.7 N24 O12.3 Zn6 -","- C596.4 H647 Cl13.4 N48 O24.6 Zn12 -","2","1","","Hidemitsu Uno; Akane Masumoto; Noboru Ono","Hexagonal Columnar Porphyrin Assembly by Unique Trimeric Complexation of a Porphyrin Dimer with π-π Stacking: Remarkable Thermal Behavior in a Solid","Journal of the American Chemical Society","2003","125","","12082","12083","10.1021/ja036203f","","","0.7107","MoKa","","","0.09","","","","0.14","","","","","","1.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114233","10.093","0.002","12.653","0.002","16.267","0.003","89.477","0.007","85.161","0.007","86.061","0.007","2065.1","0.6","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H110 N10 O2 Zn2 -","- C100 H110 N10 O2 Zn2 -","- C100 H110 N10 O2 Zn2 -","1","0.5","","Hidemitsu Uno; Akane Masumoto; Noboru Ono","Hexagonal Columnar Porphyrin Assembly by Unique Trimeric Complexation of a Porphyrin Dimer with π-π Stacking: Remarkable Thermal Behavior in a Solid","Journal of the American Chemical Society","2003","125","","12082","12083","10.1021/ja036203f","","","0.7107","MoKa","","","0.079","","","","0.238","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114234","6.572","0.001","15.191","0.001","12.7036","0.0009","90","","94.812","0.009","90","","1263.8","0.2","298.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Hidemitsu Uno; Akane Masumoto; Noboru Ono","Hexagonal Columnar Porphyrin Assembly by Unique Trimeric Complexation of a Porphyrin Dimer with π-π Stacking: Remarkable Thermal Behavior in a Solid","Journal of the American Chemical Society","2003","125","","12082","12083","10.1021/ja036203f","","","0.7107","MoKa","","","0.046","","","","0.065","","","","","","1.861","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114235","13.851","0.0017","8.624","0.0011","19.889","0.003","90","","107.515","0.008","90","","2265.6","0.5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JDS-IV-16","JDS-IV-16","","- C19 H25 B Cl2 N7 Os -","- C19 H25 B Cl2 N7 Os -","- C76 H100 B4 Cl8 N28 Os4 -","4","1","","Jake D. Soper; James M. Mayer","Slow Hydrogen Atom Self-Exchange between Os(IV) Anilide and Os(III) Aniline Complexes: Relationships with Electron and Proton Transfer Self-Exchange","Journal of the American Chemical Society","2003","125","","12217","12229","10.1021/ja036328k","","","0.71073","MoKα","","0.1304","0.0535","","","0.0891","0.1075","","","","","","0.934","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114236","9.656","0.0002","20.688","0.0005","11.772","0.0002","90","","125.702","0.0013","90","","1909.66","0.08","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JDS-IV-17","JDS-IV-17","","- C16 H18 B Cl2 N7 Os -","- C16 H18 B Cl2 N7 Os -","- C64 H72 B4 Cl8 N28 Os4 -","4","1","","Jake D. Soper; James M. Mayer","Slow Hydrogen Atom Self-Exchange between Os(IV) Anilide and Os(III) Aniline Complexes: Relationships with Electron and Proton Transfer Self-Exchange","Journal of the American Chemical Society","2003","125","","12217","12229","10.1021/ja036328k","","","0.71073","MoKα","","0.0348","0.025","","","0.0517","0.0541","","","","","","1","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114237","11.389","0.002","26.182","0.004","16.82","0.003","90","","101.849","0.012","90","","4908.6","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 N O4 P3 W -","- C58 H46 N O4 P3 W -","- C232 H184 N4 O16 P12 W4 -","4","1","","William W. Ellis; Rebecca Ciancanelli; Susie M. Miller; James W. Raebiger; M. Rakowski DuBois; Daniel L. DuBois","Thermodynamic Hydride Donor Abilities of [HW(CO)4L]- Complexes (L = PPh3, P(OMe)3, CO) and Their Reactions with [C5Me5Re(PMe3)(NO)(CO)]+","Journal of the American Chemical Society","2003","125","","12230","12236","10.1021/ja036524r","","","0.71073","MoKα","","0.0382","0.034","","","0.0799","0.0819","","","","","","1.133","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114238","10.0678","0.0016","8.5275","0.0014","14.399","0.002","90","","96.023","0.003","90","","1229.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","02054","","","- C7 H12.38 F3 Li O6 S -","- C7 H12.372 F3 Li O6 S -","- C28 H49.488 F12 Li4 O24 S4 -","4","1","","Wesley A. Henderson; Neil R. Brooks; Victor G. Young","Single-Crystal Structures of Polymer Electrolytes","Journal of the American Chemical Society","2003","125","","12098","12099","10.1021/ja036535k","","","0.71073","MoKα","","0.0477","0.0367","","","0.0863","0.0931","","","","","","1.054","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4114239","12.5349","0.0015","36.295","0.004","13.0899","0.0015","90","","91.276","0.003","90","","5953.8","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","02027y","","","- C68 H82 B2 Li2 O10 -","- C68 H82 B2 Li2 O10 -","- C272 H328 B8 Li8 O40 -","4","1","","Wesley A. Henderson; Neil R. Brooks; Victor G. Young","Single-Crystal Structures of Polymer Electrolytes","Journal of the American Chemical Society","2003","125","","12098","12099","10.1021/ja036535k","","","0.71073","MoKα","","0.1752","0.0956","","","0.2539","0.304","","","","","","1.055","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114240","12.9852","0.0016","24.937","0.002","8.9006","0.0012","90","","104.745","0.016","90","","2787.2","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-Acetamido-3-(2-pyrimidinyl)-imidazolium hexafluorophosphate","","","- C9 H10 F6 N5 O P -","- C9 H10 F6 N5 O P -","- C72 H80 F48 N40 O8 P8 -","8","2","","Kwang Ming Lee; Hai-Chou Chang; Jyh-Chiang Jiang; Jack C. C. Chen; Hsiang-En Kao; Sheng Hsien Lin; Ivan J. B. Lin","C-H—O Hydrogen Bonds in β-Sheetlike Networks: Combined X-ray Crystallography and High-Pressure Infrared Study","Journal of the American Chemical Society","2003","125","","12358","12364","10.1021/ja036719z","","","0.71073","MoKα","","0.0609","0.0432","","","0.1078","0.1181","","","","","","1.032","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114241","26.02","0.006","7.128","0.002","11.941","0.006","90","","100.79","0.02","90","","2175.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1-Acetamido-3-(2-pyrimidinyl)-imidazolium bromide","","","- C9 H10 Br N5 O -","- C9 H10 Br N5 O -","- C72 H80 Br8 N40 O8 -","8","1","","Kwang Ming Lee; Hai-Chou Chang; Jyh-Chiang Jiang; Jack C. C. Chen; Hsiang-En Kao; Sheng Hsien Lin; Ivan J. B. Lin","C-H—O Hydrogen Bonds in β-Sheetlike Networks: Combined X-ray Crystallography and High-Pressure Infrared Study","Journal of the American Chemical Society","2003","125","","12358","12364","10.1021/ja036719z","","","0.71073","MoKα","","0.0476","0.04","","","0.1044","0.1096","","","","","","1.103","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114242","9.586","0.004","11.901","0.004","14.205","0.005","95.194","0.006","102.968","0.006","92.142","0.006","1570","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H45 Cu F6 N7 P -","- C27 H45 Cu F6 N7 P -","- C54 H90 Cu2 F12 N14 P2 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Copper Complexes of Nitrogen-Anchored Tripodal N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","12237","12245","10.1021/ja036880+","","","0.71073","MoKα","","0.0438","0.0346","","","0.0811","0.0838","","","","","","0.967","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114243","11.6256","0.0018","12.2828","0.0019","21.027","0.003","89.234","0.003","78.523","0.003","71.615","0.002","2788.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H61.5 Cu3 F18 N16.5 P3 -","- C40 H60 Cu3 F18 N16 P3 -","- C80 H120 Cu6 F36 N32 P6 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Copper Complexes of Nitrogen-Anchored Tripodal N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","12237","12245","10.1021/ja036880+","","","0.71073","MoKα","","0.0853","0.0597","","","0.1407","0.1471","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114244","14.131","0.004","20.193","0.006","20.713","0.006","116.583","0.005","98.521","0.005","98.861","0.005","5062","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 Br Cu N7 -","- C36 H39 Br Cu N7 -","- C216 H234 Br6 Cu6 N42 -","6","3","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Copper Complexes of Nitrogen-Anchored Tripodal N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2003","125","","12237","12245","10.1021/ja036880+","","","0.71073","MoKα","","0.0732","0.0428","","","0.0869","0.1015","","","","","","0.932","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114245","9.477","0.005","9.789","0.005","14.38","0.008","90","","90","","90","","1334","1.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Andrew G. Myers; Seth B. Herzon","Identification of a Novel Michael Acceptor Group for the Reversible Addition of Oxygen- and Sulfur-Based Nucleophiles. Synthesis and Reactivity of the 3-Alkylidene-3H-indole 1-Oxide Function of Avrainvillamide","Journal of the American Chemical Society","2003","125","","12080","12081","10.1021/ja0372006","","","0.71073","MoKα","","0.1893","0.0559","","","0.0926","0.1172","","","","","","0.727","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114246","9.1268","0.0011","15.632","0.003","9.5243","0.0009","90","","118.474","0.007","90","","1194.5","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H24 F9 K O8 S -","- C15 H24 F9 K O8 S -","- C30 H48 F18 K2 O16 S2 -","2","1","","Dmitri V. Sevenard; Alexander A. Kolomeitsev; Berthold Hoge; Enno Lork; Gerd-Volker Röschenthaler","Noncyclic [10-S-5] Sulfuranide Dioxide Salts with Three S-C Bonds: A New Class of Stable Hypervalent Compounds","Journal of the American Chemical Society","2003","125","","12366","12367","10.1021/ja030155h","","","0.71073","MoKα","","0.0623","0.0499","","","0.1144","0.1215","","","","","","1.042","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114247","4.692","0.004","13.185","0.01","13.287","0.01","113.94","0.03","91.177","0.015","92.157","0.014","750.2","1","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Zinc(II)octaethylporphyrin","","","- C36 H44 N4 Zn -","- C36 H44 N4 Zn -","- C36 H44 N4 Zn -","1","0.5","","Andrew Ozarowski; Hon Man Lee; Alan L. Balch","Crystal Environments Probed by EPR Spectroscopy. Variations in the EPR Spectra of CoII(octaethylporphyrin) Doped in Crystalline Diamagnetic Hosts and a Reassessment of the Electronic Structure of Four-Coordinate Cobalt(II)","Journal of the American Chemical Society","2003","125","","12606","12614","10.1021/ja030221f","","","0.71073","MoKα","","0.037","0.0349","","","0.0868","0.0897","","","","","","1.167","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114248","14.9979","0.0011","9.7677","0.0009","22.9303","0.0017","90","","90.021","0.003","90","","3359.2","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(dioxane)[Zn(OEP)]2","","","- C76 H96 N8 O2 Zn2 -","- C76 H96 N8 O2 Zn2 -","- C152 H192 N16 O4 Zn4 -","2","0.5","","Andrew Ozarowski; Hon Man Lee; Alan L. Balch","Crystal Environments Probed by EPR Spectroscopy. Variations in the EPR Spectra of CoII(octaethylporphyrin) Doped in Crystalline Diamagnetic Hosts and a Reassessment of the Electronic Structure of Four-Coordinate Cobalt(II)","Journal of the American Chemical Society","2003","125","","12606","12614","10.1021/ja030221f","","","0.71073","MoKα","","0.0609","0.0415","","","0.0971","0.1065","","","","","","1.026","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114249","9.8564","0.0009","10.3391","0.001","10.4252","0.0011","98.97","0.005","90.724","0.004","114.565","0.005","950.87","0.17","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Zn(OEP)(py)2","","","- C46 H54 N6 Zn -","- C46 H54 N6 Zn -","- C46 H54 N6 Zn -","1","0.5","","Andrew Ozarowski; Hon Man Lee; Alan L. Balch","Crystal Environments Probed by EPR Spectroscopy. Variations in the EPR Spectra of CoII(octaethylporphyrin) Doped in Crystalline Diamagnetic Hosts and a Reassessment of the Electronic Structure of Four-Coordinate Cobalt(II)","Journal of the American Chemical Society","2003","125","","12606","12614","10.1021/ja030221f","","","0.71073","MoKα","","0.0437","0.042","","","0.1385","0.1426","","","","","","1.106","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114250","8.8427","0.0006","14.0094","0.001","17.1887","0.0012","100.107","0.002","96.21","0.001","95.706","0.002","2068.7","0.3","273","2","273","2","","","","","","","","6","P 1","P 1","1","","","","- C48.5 H44 Cl2 N2 O2 Ru -","- C48.5 H44 Cl2 N2 O2 Ru -","- C97 H88 Cl4 N4 O4 Ru2 -","2","2","","Joshua J. Van Veldhuizen; Dennis G. Gillingham; Steven B. Garber; Osamu Kataoka; Amir H. Hoveyda","Chiral Ru-Based Complexes for Asymmetric Olefin Metathesis: Enhancement of Catalyst Activity through Steric and Electronic Modifications","Journal of the American Chemical Society","2003","125","","12502","12508","10.1021/ja0302228","","","0.71073","MoKα","","0.0359","0.034","","","0.0868","0.092","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114251","12.0416","0.0009","15.7116","0.0011","15.16","0.0011","90","","90","","90","","2868.2","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H18 O3 S -","- C15 H18 O3 S -","- C120 H144 O24 S8 -","8","2","","Shengming Ma; Junliang Zhang","2,3,4- or 2,3,5-Trisubstituted Furans: Catalyst-Controlled Highly Regioselective Ring-Opening Cycloisomerization Reaction of Cyclopropenyl Ketones","Journal of the American Chemical Society","2003","125","","12386","12387","10.1021/ja036616g","","","0.71073","MoKα","","0.0831","0.0446","","","0.0598","0.0666","","","","","","0.791","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114252","7.9303","0.0011","9.6961","0.0013","11.1246","0.0015","68.445","0.002","81.98","0.003","66.606","0.002","730.16","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 O3 S -","- C15 H18 O3 S -","- C30 H36 O6 S2 -","2","1","","Shengming Ma; Junliang Zhang","2,3,4- or 2,3,5-Trisubstituted Furans: Catalyst-Controlled Highly Regioselective Ring-Opening Cycloisomerization Reaction of Cyclopropenyl Ketones","Journal of the American Chemical Society","2003","125","","12386","12387","10.1021/ja036616g","","","0.71073","MoKα","","0.0708","0.0488","","","0.1119","0.1212","","","","","","0.911","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114253","9.793","0.007","16.613","0.006","25.393","0.003","90","","95","","90","","4115","3","294.2","","294.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H62 Cl3 Fe N6 O5 -","- C35 H62 Cl3 Fe N6 O5 -","- C140 H248 Cl12 Fe4 N24 O20 -","4","1","","Anindya Ghosh; Alexander D. Ryabov; Sherry M. Mayer; David C. Horner; Duane E. Prasuhn; Sayam Sen Gupta; Leonard Vuocolo; Caleb Culver; Michael P. Hendrich; Cliffton E. F. Rickard; Richard E. Norman; Colin P. Horwitz; Terrence J. Collins","Understanding the Mechanism of H±Induced Demetalation as a Design Strategy for Robust Iron(III) Peroxide-Activating Catalysts","Journal of the American Chemical Society","2003","125","","12378","12379","10.1021/ja0367344","","","0.7107","MoKα","","0.2128","0.089","","0.331","","0.117","","","4.238","","","2.42","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114254","22.3876","0.0002","22.3876","0.0002","14.8709","0.0002","90","","90","","90","","7453.36","0.14","150","2","150","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","[FeClDFB]{Et4N]2","","- C33 H56 Cl F2 Fe N6 O4 -","- C33 H56 Cl F2 Fe N6 O4 -","- C264 H448 Cl8 F16 Fe8 N48 O32 -","8","1","","Anindya Ghosh; Alexander D. Ryabov; Sherry M. Mayer; David C. Horner; Duane E. Prasuhn; Sayam Sen Gupta; Leonard Vuocolo; Caleb Culver; Michael P. Hendrich; Cliffton E. F. Rickard; Richard E. Norman; Colin P. Horwitz; Terrence J. Collins","Understanding the Mechanism of H±Induced Demetalation as a Design Strategy for Robust Iron(III) Peroxide-Activating Catalysts","Journal of the American Chemical Society","2003","125","","12378","12379","10.1021/ja0367344","","","0.71073","MoKα","","0.0617","0.0518","","","0.1366","0.1463","","","","","","1.019","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114255","9.8668","0.0003","15.9815","0.0004","13.1301","0.0004","90","","95.106","0.001","90","","2062.22","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Complex PPh4 3(H2)0","","- C43 H48 Fe N4 O8 P -","- C43 H48 Fe N4 O8 P -","- C86 H96 Fe2 N8 O16 P2 -","2","1","","Anindya Ghosh; Alexander D. Ryabov; Sherry M. Mayer; David C. Horner; Duane E. Prasuhn; Sayam Sen Gupta; Leonard Vuocolo; Caleb Culver; Michael P. Hendrich; Cliffton E. F. Rickard; Richard E. Norman; Colin P. Horwitz; Terrence J. Collins","Understanding the Mechanism of H±Induced Demetalation as a Design Strategy for Robust Iron(III) Peroxide-Activating Catalysts","Journal of the American Chemical Society","2003","125","","12378","12379","10.1021/ja0367344","","","0.71073","MoKα","","0.037","0.0317","","","0.0733","0.0764","","","","","","1.019","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114256","11.459","0.008","13.782","0.009","14.696","0.005","90","","107.89","0.03","90","","2209","2","291.2","","291.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H53 F3 Ir2 O3 P2 S -","- C46 H51 F3 Ir2 O3 P2 S -","- C92 H102 F6 Ir4 O6 P4 S2 -","2","1","","Ken-ichi Fujita; Hirohide Nakaguma; Taro Hamada; Ryohei Yamaguchi","Inter- and Intramolecular Activation of Aromatic C-H Bonds by Diphosphine and Hydrido-Bridged Dinuclear Iridium Complexes","Journal of the American Chemical Society","2003","125","","12368","12369","10.1021/ja036929b","","","0.7107","MoKα","","0.0455","0.045","","0.044","","0.044","","","1.206","","","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114257","13.702","0.003","14.763","0.004","11.466","0.005","112.75","0.03","97.02","0.03","98.27","0.02","2076.1","1.3","203.2","","203.2","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H59 F3 Ir2 O3 P2 S -","- C39 H59 F3 Ir2 O3 P2 S -","- C78 H118 F6 Ir4 O6 P4 S2 -","2","1","","Ken-ichi Fujita; Hirohide Nakaguma; Taro Hamada; Ryohei Yamaguchi","Inter- and Intramolecular Activation of Aromatic C-H Bonds by Diphosphine and Hydrido-Bridged Dinuclear Iridium Complexes","Journal of the American Chemical Society","2003","125","","12368","12369","10.1021/ja036929b","","","0.7107","MoKα","","0.0302","0.03","","0.033","","0.033","","","1.302","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114258","10.845","0.003","19.462","0.004","17.299","0.004","90","","107.7","0.02","90","","3478.4","1.5","203.2","","203.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H49 F3 Ir2 O4 P2 S -","- C30 H47 F3 Ir2 O4 P2 S -","- C120 H188 F12 Ir8 O16 P8 S4 -","4","2","","Ken-ichi Fujita; Hirohide Nakaguma; Taro Hamada; Ryohei Yamaguchi","Inter- and Intramolecular Activation of Aromatic C-H Bonds by Diphosphine and Hydrido-Bridged Dinuclear Iridium Complexes","Journal of the American Chemical Society","2003","125","","12368","12369","10.1021/ja036929b","","","0.7107","MoKα","","0.0326","0.033","","0.032","","0.032","","","1.183","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114259","28.961","0.006","9.605","0.0019","28.086","0.006","90","","91.17","0.03","90","","7811","3","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Bi3 K1.5 N1.5 O30 -","- C18 H12 Bi3 K N2 O27 -","- C144 H96 Bi24 K8 N16 O216 -","8","1","","Wei Li; Lan Jin; Nianyong Zhu; Xuemei Hou; Feng Deng; Hongzhe Sun","Structure of Colloidal Bismuth Subcitrate (CBS) in Dilute HCl: Unique Assembly of Bismuth Citrate Dinuclear Units ([Bi(cit)2Bi]2-)","Journal of the American Chemical Society","2003","125","","12408","12409","10.1021/ja037019x","","","0.71073","MoKα","","0.0861","0.0603","","","0.1652","0.1802","","","","","","0.997","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114260","19.93","0.009","8.914","0.005","17.642","0.007","90","","95.87","0.03","90","","3118","3","297","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Fe N10 Nd O8 -","- C18 H28 Fe N10 Nd O8 -","- C72 H112 Fe4 N40 Nd4 O32 -","4","1","","Guangming Li; Takashiro Akitsu; Osamu Sato; Yasuaki Einaga","Photoinduced Magnetization of the Cyano-Bridged 3d-4f Heterobimetallic Assembly Nd(DMF)4(H2O)3(μ-CN)Fe(CN)5.H2O (DMF =N,N-Dimethylformamide)","Journal of the American Chemical Society","2003","125","","12396","12397","10.1021/ja037183k","","","0.71073","MoKα","","","0.0734","","","","0.1122","","","","","","3.654","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114261","14.345","0.012","5.09","0.004","33.68","0.03","90","","94.83","0.013","90","","2450","4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dihydroxy-benzoic_acid_penta-2,4-diynyl_ester polymer N,N'bis-pyridin-4-ylmethyloxalamide","","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","- C104 H88 N16 O24 -","4","1","","Xi Ouyang; Frank W. Fowler; Joseph W. Lauher","Single-Crystal-to-Single-Crystal Topochemical Polymerizations of a Terminal Diacetylene: Two Remarkable Transformations Give the Same Conjugated Polymer","Journal of the American Chemical Society","2003","125","","12400","12401","10.1021/ja037557+","","","0.71073","MoKα","","0.2169","0.0861","","","0.1604","0.2211","","","","","","0.695","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114262","14.568","0.012","4.912","0.004","33.07","0.03","90","","91.913","0.013","90","","2365","3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,5-dihydroxy-benzoic_acid_penta-2,4-diynyl_ester _polymer_N,N'bis-pyridin-4-ylmethyloxalamide","","","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","- C104 H88 N16 O24 -","4","1","","Xi Ouyang; Frank W. Fowler; Joseph W. Lauher","Single-Crystal-to-Single-Crystal Topochemical Polymerizations of a Terminal Diacetylene: Two Remarkable Transformations Give the Same Conjugated Polymer","Journal of the American Chemical Society","2003","125","","12400","12401","10.1021/ja037557+","","","0.71073","MoKα","","0.1961","0.0844","","","0.1901","0.2218","","","","","","0.774","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114263","4.7249","0.0013","7.878","0.002","30.482","0.008","90","","90.502","0.005","90","","1134.6","0.5","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,5-dihydroxy-benzoic_acid_penta-2,4-diynyl_ester_monohydrate","","","- C12 H10 O5 -","- C12 H10 O5 -","- C48 H40 O20 -","4","1","","Xi Ouyang; Frank W. Fowler; Joseph W. Lauher","Single-Crystal-to-Single-Crystal Topochemical Polymerizations of a Terminal Diacetylene: Two Remarkable Transformations Give the Same Conjugated Polymer","Journal of the American Chemical Society","2003","125","","12400","12401","10.1021/ja037557+","","","0.71073","MoKα","","0.0965","0.0575","","","0.1357","0.153","","","","","","0.844","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114264","4.876","0.0016","7.814","0.003","27.407","0.009","90","","87.203","0.007","90","","1043","0.6","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-dihydroxy-benzoic_acid_penta-2,4-diynyl_ester_polymer_hydrate","","- C12 H10 O5 -","- C12 H10 O5 -","- C48 H40 O20 -","4","1","","Xi Ouyang; Frank W. Fowler; Joseph W. Lauher","Single-Crystal-to-Single-Crystal Topochemical Polymerizations of a Terminal Diacetylene: Two Remarkable Transformations Give the Same Conjugated Polymer","Journal of the American Chemical Society","2003","125","","12400","12401","10.1021/ja037557+","","","0.71073","MoKα","","0.1755","0.0674","","","0.1503","0.1794","","","","","","0.786","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114265","6.8","0.002","9.819","0.002","16.63","0.004","90","","90","","90","","1110.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","02286vv","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Hui Xiong; Jian Huang; Sunil K. Ghosh; Richard P. Hsung","Stereoselective Intramolecular [4 + 3] Cycloadditions of Nitrogen-Stabilized Chiral Oxyallyl Cations via Epoxidation of N-Tethered Allenamides","Journal of the American Chemical Society","2003","125","","12694","12695","10.1021/ja030416n","","","0.71073","MoKα","","0.0417","0.0325","","","0.0794","0.0873","","","","","","1.049","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114266","10.9417","0.0008","10.7162","0.0008","11.6477","0.0009","90","","90","","90","","1365.73","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","03081vv","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","","Hui Xiong; Jian Huang; Sunil K. Ghosh; Richard P. Hsung","Stereoselective Intramolecular [4 + 3] Cycloadditions of Nitrogen-Stabilized Chiral Oxyallyl Cations via Epoxidation of N-Tethered Allenamides","Journal of the American Chemical Society","2003","125","","12694","12695","10.1021/ja030416n","","","0.71073","MoKα","","0.034","0.0327","","","0.0873","0.0888","","","","","","1.041","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114267","9.139","0.0002","15.139","0.0005","22.115","0.0006","90","","94.278","0.002","90","","3051.2","0.15","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(trimethylsilyl)tetrahedranyllithium (N,N,N',N'-tetramethyletylenediamine)","","- C22 H51 Li N3 Si3 -","- C22 H51 Li N3 Si3 -","- C88 H204 Li4 N12 Si12 -","4","1","","Akira Sekiguchi; Masanobu Tanaka","Tetrahedranyllithium: Synthesis, Characterization, and Reactivity","Journal of the American Chemical Society","2003","125","","12684","12685","10.1021/ja030476t","","","0.7107","MoKα","","0.0426","0.0368","","","0.1012","0.1054","","","","","","1.033","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114268","16.4781","0.0007","16.4781","0.0007","15.9151","0.0008","90","","90","","120","","3742.4","0.3","93.1","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C45 H30 Ir N3 -","- C45 H30 Ir N3 -","- C180 H120 Ir4 N12 -","4","0.333333","","Akira Tsuboyama; Hironobu Iwawaki; Manabu Furugori; Taihei Mukaide; Jun Kamatani; Satoshi Igawa; Takashi Moriyama; Seishi Miura; Takao Takiguchi; Shinjiro Okada; Mikio Hoshino; Kazunori Ueno","Homoleptic Cyclometalated Iridium Complexes with Highly Efficient Red Phosphorescence and Application to Organic Light-Emitting Diode","Journal of the American Chemical Society","2003","125","","12971","12979","10.1021/ja034732d","","","0.7107","MoKα","","","0.031","","","","0.124","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114269","12.783","0.003","18.55","0.004","7.2338","0.0014","90","","101.687","0.005","90","","1679.8","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","glycine and pyridine-2-carboxylic acid(2-benzoyl-phenyl)-amide","","- C21 H15 N3 Ni O3 -","- C21 H15 N3 Ni O3 -","- C84 H60 N12 Ni4 O12 -","4","1","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.71073","MoKα","","0.0761","0.0528","","","0.115","0.1228","","","","","","1.071","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114270","7.987","0.004","21.557","0.008","10.936","0.005","90","","110.403","0.009","90","","1764.8","1.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R,S)-alanine and pyridine-2-carboxylic acid(2-benzoyl-phenyl)-amide","","- C22 H17 N3 Ni O3 -","- C22 H17 N3 Ni O3 -","- C88 H68 N12 Ni4 O12 -","4","1","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.71073","MoKα","","0.1058","0.0537","","","0.1161","0.1341","","","","","","0.935","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114271","13.753","0.0003","14.139","0.0003","17.572","0.0003","90","","90","","90","","3416.94","0.12","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","2","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.7107","MoKα","","0.0518","0.0434","","","0.0985","0.103","","","","","","1.064","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114272","11.173","0.0002","8.94","0.0002","11.669","0.0002","90","","98.011","0.0012","90","","1154.2","0.04","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C62 H58 N2 O4 -","2","1","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.7107","MoKα","","0.0366","0.0333","","","0.0788","0.0813","","","","","","1.041","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114273","7.75","0.0002","9.632","0.0002","13.403","0.0003","90","","102.561","0.0015","90","","976.56","0.04","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C50 H46 N2 O4 -","2","1","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.7107","MoKα","","0.0384","0.0351","","","0.0861","0.0885","","","","","","1.042","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114274","20.631","0.0002","9.512","0.0002","16.837","0.0003","90","","96.24","0.0006","90","","3284.55","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 N4 O8 Zn4 -","- C24 H52 N4 O8 Zn4 -","- C96 H208 N16 O32 Zn16 -","4","0.5","","Janusz Lewiński; Wojciech Marciniak; Janusz Lipkowski; Iwona Justyniak","New Insights into the Reaction of Zinc Alkyls with Dioxygen","Journal of the American Chemical Society","2003","125","","12698","12699","10.1021/ja036020t","","","0.7107","MoKα","","0.0435","0.0342","","","0.0707","0.074","","","","","","1.124","","","","has coordinates","288091","2023-12-06","15:51:22",""
"4114275","22.5","0.003","22.5","0.003","19.7","0.004","90","","90","","120","","8637","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H42 O8 Zn7 -","- C14 H41.985 O8 Zn7 -","- C168 H503.82 O96 Zn84 -","12","0.666667","","Janusz Lewiński; Wojciech Marciniak; Janusz Lipkowski; Iwona Justyniak","New Insights into the Reaction of Zinc Alkyls with Dioxygen","Journal of the American Chemical Society","2003","125","","12698","12699","10.1021/ja036020t","","","0.71073","MoKα","","0.0513","0.0398","","","0.0819","0.0863","","","","","","1.248","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114276","8.447","0.0009","9.4655","0.001","22.508","0.002","90","","92.254","0.002","90","","1798.2","0.3","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F6 N2 Pt S -","- C16 H16 F6 N2 Pt S -","- C64 H64 F24 N8 Pt4 S4 -","4","1","","Carl N. Iverson; Charles A. G. Carter; R. Tom Baker; John D. Scollard; Jay A. Labinger; John E. Bercaw","C-H Bond Activation by Unsymmetrical 2-(N-Arylimino)pyrrolide Pt Complexes: Geometric Effects on Reactivity","Journal of the American Chemical Society","2003","125","","12674","12675","10.1021/ja036511d","","","0.71073","MoKα","","0.0447","0.0296","","","0.0456","0.0474","","","","","","1.211","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114277","24.0988","0.0018","11.5512","0.0009","42.783","0.003","90","","90.917","0.001","90","","11908","1.5","98","","98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N3 Pt -","- C20 H24 N3 Pt -","- C480 H576 N72 Pt24 -","24","6","","Carl N. Iverson; Charles A. G. Carter; R. Tom Baker; John D. Scollard; Jay A. Labinger; John E. Bercaw","C-H Bond Activation by Unsymmetrical 2-(N-Arylimino)pyrrolide Pt Complexes: Geometric Effects on Reactivity","Journal of the American Chemical Society","2003","125","","12674","12675","10.1021/ja036511d","","","0.71073","MoKα","","0.072","0.0442","","","0.0694","0.0724","","","","","","1.306","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114278","33.341","0.006","14.642","0.003","21.305","0.004","90","","90","","90","","10401","3","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","(n-Bu4N)[Fe(Tripyrrole)(Cl)].1.5Cyclohexane 0.5H2O","","","- C52 H87 Cl Fe N4 O3.5 -","- C52 H86 Cl Fe N4 O3.495 -","- C416 H688 Cl8 Fe8 N32 O27.96 -","8","2","","Sankar Prasad Rath; Marilyn M. Olmstead; Lechoslaw Latos-Grażyński; Alan L. Balch","Formation and Isolation of an Iron-Tripyrrole Complex from Heme Degradation","Journal of the American Chemical Society","2003","125","","12678","12679","10.1021/ja036656k","","","0.71073","MoKα","","0.1609","0.1105","","","0.2769","0.3049","","","","","","1.055","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114279","13.659","0.0006","8.427","0.0003","18.642","0.0009","90","","90","","90","","2145.78","0.16","120","","120","","","","","","","","?","6","P n n b","-P 2b 2n","52","","","","- C14 H12 F5 N3 O13 Th2 -","- C14 H12 F5 N3 O13 Th2 -","- C56 H48 F20 N12 O52 Th8 -","4","0.5","","Jong-Young Kim; Alexander J. Norquist; Dermot O'Hare","[(Th2F5)(NC7H5O4)2(H2O)][NO3]: An Actinide-Organic Open Framework","Journal of the American Chemical Society","2003","125","","12688","12689","10.1021/ja036832p","","","0.71073","MoKα","","0.078","0.0282","","0.0611","0.05","0.05","","","","","","0.9224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114280","9.167","0.001","7.5255","0.0006","10.327","0.001","90","","97.571","0.005","90","","706.21","0.12","293","2","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B F4 Fe N3 O3 -","- B F4 Fe N3 O3 -","- B4 F16 Fe4 N12 O12 -","4","1","","Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins","Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes","Journal of the American Chemical Society","2003","125","","12935","12944","10.1021/ja036887r","","","0.71069","MoKα","","0.0424","0.0318","","","0.0759","0.0801","","","","","","1.085","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114281","7.472","0.001","7.539","0.001","12.357","0.001","73.44","0.01","89.41","0.01","61.11","0.01","577.41","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H5 F6 Fe N4 O3 P -","- C3 H5 F6 Fe N4 O3 P -","- C6 H10 F12 Fe2 N8 O6 P2 -","2","1","","Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins","Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes","Journal of the American Chemical Society","2003","125","","12935","12944","10.1021/ja036887r","","","0.71073","MoKα","","0.0871","0.0682","","","0.1912","0.2017","","","","","","1.083","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114282","7.1701","0.0015","7.1701","0.0015","6.0403","0.0012","90","","90","","120","","268.93","0.1","293","2","173","1","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Cl Fe N3 O3 -","- Cl Fe N3 O3 -","- Cl2 Fe2 N6 O6 -","2","0.166667","","Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins","Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes","Journal of the American Chemical Society","2003","125","","12935","12944","10.1021/ja036887r","","","0.71069","MoKα","","0.0241","0.0241","","","0.0583","0.0583","","","","","","1.212","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114283","22.81","0.003","7.5762","0.0012","8.8993","0.0014","90","","90","","90","","1537.9","0.4","293","2","173","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C0 F8 Fe2 N6 O8 P2 -","- F8 Fe2 N6 O8 P2 -","- F32 Fe8 N24 O32 P8 -","4","1","","Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins","Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes","Journal of the American Chemical Society","2003","125","","12935","12944","10.1021/ja036887r","","","0.71069","MoKα","","0.0558","0.0487","","","0.109","0.1144","","","","","","1.127","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114284","13.8487","0.0003","13.8487","0.0003","57.189","0.002","90","","90","","90","","10968.1","0.5","213","2","213","2","","","","","","","","9","P 41","P 4w","76","[Mo2(DAniF)3]2Zn(OCH3)4(PF6),4(CH2Cl2)","","","- C98 H110 Cl8 F6 Mo4 N12 O16 P Zn -","- C98 H110 Cl8 F6 Mo4 N12 O16 P Zn -","- C392 H440 Cl32 F24 Mo16 N48 O64 P4 Zn4 -","4","1","","F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang","Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion","Journal of the American Chemical Society","2003","125","","12945","12952","10.1021/ja036920+","","","0.71073","MoKα","","0.0785","0.0696","","","0.1619","0.1673","","","","","","1.092","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114285","13.8316","0.0003","13.8316","0.0003","57.273","0.002","90","","90","","90","","10957.1","0.5","213","2","213","2","","","","","","","","9","P 41","P 4w","76","[Mo2(DAniF)3]2Co(OCH3)4(PF6),4(CH2Cl2)","","","- C98 H110 Cl8 Co F6 Mo4 N12 O16 P -","- C98 H110 Cl8 Co F6 Mo4 N12 O16 P -","- C392 H440 Cl32 Co4 F24 Mo16 N48 O64 P4 -","4","1","","F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang","Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion","Journal of the American Chemical Society","2003","125","","12945","12952","10.1021/ja036920+","","","0.71073","MoKα","","0.0486","0.0426","","","0.098","0.102","","","","","","1.076","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114286","34.4726","0.0015","15.2086","0.0007","44.285","0.002","90","","105.497","0.001","90","","22373.6","1.7","213","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","[Mo2(DAniF)3]2Zn(OCH3)3(OH)(PF6)2,3.44(CH2Cl2)","","","- C96.44 H109.88 Cl6.88 F12 Mo4 N12 O16 P2 Zn -","- C96.44 H96 Cl6.881 F12 Mo4 N12 O16 P2 Zn -","- C771.52 H768 Cl55.048 F96 Mo32 N96 O128 P16 Zn8 -","8","1","","F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang","Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion","Journal of the American Chemical Society","2003","125","","12945","12952","10.1021/ja036920+","","","0.71073","MoKα","","0.0855","0.0667","","","0.1316","0.1402","","","","","","1.094","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114287","9.716","0.007","13.917","0.009","14.745","0.01","101.404","0.011","98.752","0.011","91.087","0.009","1929","2","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H35 Cu3 N3 P S3 W -","- C37 H35 Cu3 N3 P S3 W -","- C74 H70 Cu6 N6 P2 S6 W2 -","2","1","","Jian-Ping Lang; Qing-Feng Xu; Zhong-Ning Chen; Brendan F. Abrahams","Assembly of a Supramolecular Cube, [(Cp*WS3Cu3)8Cl8(CN)12Li4] from a Preformed Incomplete Cubane-like Compound [PPh4][Cp*WS3(CuCN)3]","Journal of the American Chemical Society","2003","125","","12682","12683","10.1021/ja036995d","","","0.7107","MoKα","","","0.059","","","","0.064","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114288","17.131","0.003","17.131","0.003","33.136","0.009","90","","90","","90","","9724","4","193.1","","","","","","","","","","","9","I 4/m","-I 4","87","","","","- C124 H193 Cl8 Cu24 Li6 N18 O8.5 S24 W8 -","- C94 H120 Cl8 Cu24 Li6 N14 S24 W8 -","- C188 H240 Cl16 Cu48 Li12 N28 S48 W16 -","2","0.125","","Jian-Ping Lang; Qing-Feng Xu; Zhong-Ning Chen; Brendan F. Abrahams","Assembly of a Supramolecular Cube, [(Cp*WS3Cu3)8Cl8(CN)12Li4] from a Preformed Incomplete Cubane-like Compound [PPh4][Cp*WS3(CuCN)3]","Journal of the American Chemical Society","2003","125","","12682","12683","10.1021/ja036995d","","","0.7107","MoKα","","","0.063","","","","0.072","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114289","12.6464","0.0004","12.0047","0.0004","15.3782","0.0006","90","","94.742","0.001","90","","2326.67","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dmcrcnc","","","- C18 H23 Cl5 Cr N5 -","- C18 H23 Cl5 Cr N5 -","- C72 H92 Cl20 Cr4 N20 -","4","1","","David S. McGuinness; Vernon C. Gibson; Duncan F. Wass; Jonathan W. Steed","Bis(carbene)pyridine Complexes of Cr(III): Exceptionally Active Catalysts for the Oligomerization of Ethylene","Journal of the American Chemical Society","2003","125","","12716","12717","10.1021/ja037217o","","","0.71073","MoKα","","0.1282","0.0632","","","0.1506","0.1795","","","","","","1.025","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114290","23.625","0.004","10.4889","0.0015","10.5495","0.0015","90","","101.302","0.005","90","","2563.5","0.7","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H32 Cu N2 O6 -","- C27 H29 Cu N2 O6.5 -","- C108 H116 Cu4 N8 O26 -","4","1","","David A. Evans; Daniel Seidel; Magnus Rueping; Hon Wai Lam; Jared T. Shaw; C. Wade Downey","A New Copper Acetate-Bis(oxazoline)-Catalyzed, Enantioselective Henry Reaction","Journal of the American Chemical Society","2003","125","","12692","12693","10.1021/ja0373871","","","0.71073","MoKα","","0.04","0.0336","","","0.0785","0.0808","","","","","","0.938","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114291","15.8823","0.0011","12.4917","0.0009","21.3487","0.0015","90","","109.591","0.002","90","","3990.3","0.5","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl6 Fe I2 P2 Pd -","- C28 H46 Cl6 Fe I2 P2 Pd -","- C112 H184 Cl24 Fe4 I8 P8 Pd4 -","4","1","","Eric Fillion; Nicholas J. Taylor","Cine-Substitution in the Stille Coupling: Evidence for the Carbenoid Reactivity of sp3-gem-Organodimetallic Iodopalladio-trialkylstannylalkane Intermediates","Journal of the American Chemical Society","2003","125","","12700","12701","10.1021/ja037409j","","","0.71073","MoKα","","0.0592","0.0494","","","0.0841","0.0866","","","","","","1.371","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114292","26.58","0.02","12.026","0.004","22","0.01","90","","127.48","0.01","90","","5581","5","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C53 H76 N4 O10 S4 -","- C53 H76 N4 O10 S4 -","- C212 H304 N16 O40 S16 -","4","1","","Stefan Koep; Hans-Joachim Gais; Gerhard Raabe","Asymmetric Synthesis of Unsaturated, Fused Bicyclic Proline Analogues through Amino Alkylation of Cyclic Bis(allylsulfoximine)titanium Complexes and Migratory Cyclization of δ-Amino Alkenyl Aminosulfoxonium Salts","Journal of the American Chemical Society","2003","125","","13243","13251","10.1021/ja030324y","","","1.54179","CuKα","","0.059","0.057","","0.145","","0.144","","","1.099","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114293","8.317","0.004","10.069","0.004","12.645","0.005","90.143","0.008","94.813","0.008","112.329","0.008","975.4","0.7","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 Cl6 -","- C20 H18 Cl6 -","- C40 H36 Cl12 -","2","1","","Joseph D. Rule; Scott R. Wilson; Jeffrey S. Moore","Radical Polymerization Initiated by Bergman Cyclization","Journal of the American Chemical Society","2003","125","","12992","12993","10.1021/ja0359198","","","0.71073","MoKα","","0.1578","0.0553","","","0.0865","0.1042","","","","","","0.839","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114294","6.9798","0.0017","10.934","0.003","10.495","0.003","90","","90.905","0.004","90","","800.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl2 N2 Pd -","- C12 H30 Cl2 N2 Pd -","- C24 H60 Cl4 N4 Pd2 -","2","0.5","","Vitaliy I. Timokhin; Natia R. Anastasi; Shannon S. Stahl","Dioxygen-Coupled Oxidative Amination of Styrene","Journal of the American Chemical Society","2003","125","","12996","12997","10.1021/ja0362149","","","0.71073","MoKα","","0.0237","0.0226","","","0.0597","0.0606","","","","","","1.047","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114295","14.983","0.002","20.812","0.006","5.729","0.004","90.11","0.04","89.99","0.03","89.99","0.02","1786.4","1.4","298.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Br O2 Si -","- C16 H21 Br O2 Si -","- C64 H84 Br4 O8 Si4 -","4","1","","Wei-Wei Liao; Kai Li; Yong Tang","Controllable Diastereoselective Cyclopropanation. Enantioselective Synthesis of Vinylcyclopropanes via Chiral Telluronium Ylides","Journal of the American Chemical Society","2003","125","","13030","13031","10.1021/ja036254c","","","0.7107","MoKα","","","0.042","","","","0.043","","","","","","0.74","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114296","11.8162","0.001","14.1277","0.0011","10.3477","0.0008","90","","90","","90","","1727.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H25 Br Si Te -","- C12 H25 Br Si Te -","- C48 H100 Br4 Si4 Te4 -","4","1","","Wei-Wei Liao; Kai Li; Yong Tang","Controllable Diastereoselective Cyclopropanation. Enantioselective Synthesis of Vinylcyclopropanes via Chiral Telluronium Ylides","Journal of the American Chemical Society","2003","125","","13030","13031","10.1021/ja036254c","","","0.71073","MoKα","","0.0646","0.0392","","","0.0667","0.072","","","","","","0.812","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114297","6.1465","0.0005","16.5995","0.0014","19.958","0.0016","90","","90","","90","","2036.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br O Si -","- C21 H23 Br O Si -","- C84 H92 Br4 O4 Si4 -","4","1","","Wei-Wei Liao; Kai Li; Yong Tang","Controllable Diastereoselective Cyclopropanation. Enantioselective Synthesis of Vinylcyclopropanes via Chiral Telluronium Ylides","Journal of the American Chemical Society","2003","125","","13030","13031","10.1021/ja036254c","","","0.71073","MoKα","","0.0837","0.038","","","0.0557","0.0612","","","","","","0.746","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114298","6.8502","0.0003","12.676","0.004","14.0451","0.0003","90","","90","","90","","1219.6","0.4","273.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Barry M. Trost; Oliver R. Thiel; Hon-Chung Tsui","Total Syntheses of Furaquinocin A, B, and E","Journal of the American Chemical Society","2003","125","","13155","13164","10.1021/ja0364118","","","0.7107","MoKα","","","0.041","","","","0.098","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114299","11.589","0.003","14.135","0.004","19.59","0.006","108.786","0.006","94.938","0.006","104.164","0.005","2897.8","1.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C63.5 H53 Cl4 Mn2 N4 O10 -","- C63.5 H53 Cl4 Mn2 N4 O10 -","- C127 H106 Cl8 Mn4 N8 O20 -","2","1","","Sumitra Mukhopadhyay; William H. Armstrong","Multinuclear Oxo-Bridged Manganese Complexes with a Bulky Substituted Benzoate Ligand: Novel Species Obtained by Using Steric Control","Journal of the American Chemical Society","2003","125","","13010","13011","10.1021/ja036490n","","","0.71073","MoKα","","0.0861","0.0566","","","0.1341","0.1508","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114300","15.4471","0.0008","15.0773","0.0009","27.7033","0.0017","90","","91.679","0.002","90","","6449.3","0.6","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C118 H106 F12 Mn6 N12 O24 S4 -","- C118 H106 F12 Mn6 N12 O24 S4 -","- C236 H212 F24 Mn12 N24 O48 S8 -","2","0.5","","Sumitra Mukhopadhyay; William H. Armstrong","Multinuclear Oxo-Bridged Manganese Complexes with a Bulky Substituted Benzoate Ligand: Novel Species Obtained by Using Steric Control","Journal of the American Chemical Society","2003","125","","13010","13011","10.1021/ja036490n","","","0.71073","MoKα","","0.1599","0.077","","","0.2012","0.2495","","","","","","1.004","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114301","9.952","0.002","19.642","0.004","14.316","0.003","90","","90.39","0.03","90","","2798.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 Mo2 O2 P -","- C30 H39 Mo2 O2 P -","- C120 H156 Mo8 O8 P4 -","4","1","","M. Esther García; Víctor Riera; Miguel A. Ruiz; David Sáez; Hayrullo Hamidov; John C. Jeffery; Thomas Riis-Johannessen","Ten-Electron Coordination and Reactivity of an Arylphosphinidene Ligand","Journal of the American Chemical Society","2003","125","","13044","13045","10.1021/ja037293r","","","0.71073","MoKα","","0.0216","0.0194","","","0.0493","0.05","","","","","","1.051","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114302","15.1853","0.0003","21.1676","0.0005","19.476","0.0004","90","","98.695","0.001","90","","6188.3","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H52 B F24 Mo2 O2 P -","- C62 H52 B F24 Mo2 O2 P -","- C248 H208 B4 F96 Mo8 O8 P4 -","4","1","","M. Esther García; Víctor Riera; Miguel A. Ruiz; David Sáez; Hayrullo Hamidov; John C. Jeffery; Thomas Riis-Johannessen","Ten-Electron Coordination and Reactivity of an Arylphosphinidene Ligand","Journal of the American Chemical Society","2003","125","","13044","13045","10.1021/ja037293r","","","1.54185","CuKα","","0.0452","0.0329","","","0.0717","0.0749","","","","","","0.91","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114303","9.409","0.002","11.449","0.003","13.198","0.003","119.27","0.02","112.33","0.02","83.36","0.02","1142.9","0.6","93.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 B F4 I O7 -","- C18 H30 B F4 I O7 -","- C36 H60 B2 F8 I2 O14 -","2","1","","Masahito Ochiai; Kazunori Miyamoto; Motoo Shiro; Tomoyuki Ozawa; Kentaro Yamaguchi","Isolation, Characterization, and Reaction of Activated Iodosylbenzene Monomer Hydroxy(phenyl)iodonium Ion with Hypervalent Bonding: Supramolecular Complex PhI+OH.18-Crown-6 with Secondary I...O Interactions","Journal of the American Chemical Society","2003","125","","13006","13007","10.1021/ja0377899","","","0.7107","MoKα","","","0.0252","","","","0.0827","","","","","","1.053","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114304","16.4042","0.0013","9.1502","0.0011","21.1802","0.0015","90","","90","","90","","3179.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Cl2 N O2 S -","- C15 H13 Cl2 N O2 S -","- C120 H104 Cl16 N8 O16 S8 -","8","1","","Subramanian Karur; S. R. S. Saibabu Kotti; Xin Xu; John F. Cannon; Allan Headley; Guigen Li","A Catalytic Reaction of Alkynes via Multiple-Site Functionalization","Journal of the American Chemical Society","2003","125","","13340","13341","10.1021/ja0304188","","","0.71073","MoKα","","0.0939","0.0511","","","0.1132","0.133","","","","","","1.019","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114305","46.377","0.0018","16.843","0.0003","28.779","0.0011","90","","121.573","0.002","90","","19152.4","1.2","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(18-crown-6)potassium tris{bis[bis(trimethylsilyl)methyl](methyl)silyl} tetrasilatetrahedranide","","- C59.5 H153 K O6 Si19 -","- C59.5 H153 K O6 Si19 -","- C476 H1224 K8 O48 Si152 -","8","1","","Masaaki Ichinohe; Masafumi Toyoshima; Rei Kinjo; Akira Sekiguchi","Tetrasilatetrahedranide: A Silicon Cage Anion","Journal of the American Chemical Society","2003","125","","13328","13329","10.1021/ja0305050","","","0.7107","MoKα","","0.1146","0.0667","","","0.1697","0.2004","","","","","","0.994","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114306","23.84","0.0008","5.962","0.0002","22.529","0.001","90","","93.761","0.0012","90","","3195.2","0.2","130","2","130","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,7-Bis(4'-tert-butylphenyl)-4,9-diphenylanthrazoline","2,7-Bis(4'-tert-butylphenyl)-4,9-diphenylanthrazoline","","- C44 H38 N2 -","- C44 H40 N2 -","- C176 H160 N8 -","4","0.5","","Christopher J. Tonzola; Maksudul M. Alam; Werner Kaminsky; Samson A. Jenekhe","New n-Type Organic Semiconductors: Synthesis, Single Crystal Structures, Cyclic Voltammetry, Photophysics, Electron Transport, and Electroluminescence of a Series of Diphenylanthrazolines","Journal of the American Chemical Society","2003","125","","13548","13558","10.1021/ja036314e","","","0.71073","MoKα","","0.0488","0.035","","","0.085","0.0923","","","","","","1.051","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114307","14.291","0.001","5.837","0.0004","21.752","0.002","90","","104.231","0.003","90","","1758.8","0.2","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,7-Bis(4'-n-hexylphenyl)-4,9-diphenylanthrazoline","2,7-Bis(4'-n-hexylphenyl)-4,9-diphenylanthrazoline","","- C48 H48 N2 -","- C48 H48 N2 -","- C96 H96 N4 -","2","0.5","","Christopher J. Tonzola; Maksudul M. Alam; Werner Kaminsky; Samson A. Jenekhe","New n-Type Organic Semiconductors: Synthesis, Single Crystal Structures, Cyclic Voltammetry, Photophysics, Electron Transport, and Electroluminescence of a Series of Diphenylanthrazolines","Journal of the American Chemical Society","2003","125","","13548","13558","10.1021/ja036314e","","","0.71073","MoKα","","0.1176","0.0657","","","0.1514","0.1825","","","","","","1.018","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114308","12.758","0.0008","4.868","0.0006","21.476","0.002","90","","95.856","0.002","90","","1326.8","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,7-Bis(4'-methoxyphenyl)-4,9-diphenylanthrazoline","2,7-Bis(4'-methoxyphenyl)-4,9-diphenylanthrazoline","","- C38 H28 N2 O2 -","- C38 H28 N2 O2 -","- C76 H56 N4 O4 -","2","0.5","","Christopher J. Tonzola; Maksudul M. Alam; Werner Kaminsky; Samson A. Jenekhe","New n-Type Organic Semiconductors: Synthesis, Single Crystal Structures, Cyclic Voltammetry, Photophysics, Electron Transport, and Electroluminescence of a Series of Diphenylanthrazolines","Journal of the American Chemical Society","2003","125","","13548","13558","10.1021/ja036314e","","","0.71073","MoKα","","0.1205","0.0508","","","0.1058","0.1332","","","","","","0.933","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114309","16.313","0.0015","9.8226","0.0009","9.3062","0.0009","90","","97.01","0.002","90","","1480","0.2","300","2","300","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H36 Cu2 F12 N6 O4 P2 -","- C16 H36 Cu2 F12 N6 O4 P2 -","- C32 H72 Cu4 F24 N12 O8 P4 -","2","0.5","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0523","0.0479","","","0.1368","0.1433","","","","","","1.037","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114310","7.3995","0.0007","10.71","0.001","17.683","0.0017","90","","99.086","0.002","90","","1383.8","0.2","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H48 Cu2 N6 O16 P2 -","- C12 H32 Cu2 N6 O16 P2 -","- C24 H64 Cu4 N12 O32 P4 -","2","0.5","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0633","0.0462","","","0.1173","0.1228","","","","","","1.016","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114311","11.4848","0.0007","16.6537","0.0009","18.2556","0.0011","90","","90","","90","","3491.6","0.4","300","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H52 Cu2 N6 O14 P2 -","- C24 H40 Cu2 N6 O14 P2 -","- C96 H160 Cu8 N24 O56 P8 -","4","0.5","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0929","0.05","","","0.1228","0.1344","","","","","","1.03","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114312","23.187","0.008","8.135","0.002","18.158","0.007","90","","106.72","0.02","90","","3280.3","1.9","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H54 Cu2 N6 O17 P2 -","- C18 H44 Cu2 N6 O17 P2 -","- C72 H176 Cu8 N24 O68 P8 -","4","1","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0687","0.0627","","","0.1588","0.1648","","","","","","1.034","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114313","9.938","0.001","41.791","0.004","10.8866","0.0011","90","","95.386","0.002","90","","4501.4","0.8","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H48 Mo2 N6 O8 -","- C47 H48 Mo2 N6 O8 -","- C188 H192 Mo8 N24 O32 -","4","1","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Modifying Electronic Communication in Dimolybdenum Units by Linkage Isomers of Bridged Oxamidate Dianions","Journal of the American Chemical Society","2003","125","","13564","13575","10.1021/ja036884e","","","0.71073","MoKα","","0.0728","0.0649","","","0.1451","0.1491","","","","","","1.089","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114314","20.5501","0.0013","18.9896","0.0012","28.821","0.0018","90","","105.4","0.001","90","","10843.2","1.2","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mo2(DAniF)3]2(C16H14N2O4),2(CH2Cl2)","","","- C108 H108 Cl4 Mo4 N14 O16 -","- C108 H106 Cl4 Mo4 N14 O16 -","- C432 H424 Cl16 Mo16 N56 O64 -","4","0.5","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Modifying Electronic Communication in Dimolybdenum Units by Linkage Isomers of Bridged Oxamidate Dianions","Journal of the American Chemical Society","2003","125","","13564","13575","10.1021/ja036884e","","","0.71073","MoKα","","0.0882","0.0638","","","0.1647","0.1854","","","","","","1.072","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114315","30.8134","0.0019","12.3766","0.0008","28.069","0.0017","90","","106.751","0.001","90","","10250.3","1.1","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mo2(DAniF)3]2(C14H10N2O2),2(CH2Cl2)","","","- C106 H104 Cl4 Mo4 N14 O14 -","- C106 H100 Cl4 Mo4 N14 O14 -","- C424 H400 Cl16 Mo16 N56 O56 -","4","0.5","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Modifying Electronic Communication in Dimolybdenum Units by Linkage Isomers of Bridged Oxamidate Dianions","Journal of the American Chemical Society","2003","125","","13564","13575","10.1021/ja036884e","","","0.71073","MoKα","","0.0445","0.0356","","","0.0903","0.0973","","","","","","1.068","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114316","30.833","0.002","12.4356","0.0008","28.0484","0.0019","90","","100.423","0.001","90","","10577","1.2","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mo2(DAniF)3]2(C16H14N2O2),2(CH2Cl2)","","","- C108 H108 Cl4 Mo4 N14 O16 -","- C108.001 H104 Cl3.9992 Mo4 N14 O16 -","- C432.004 H416 Cl15.9968 Mo16 N56 O64 -","4","0.5","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Modifying Electronic Communication in Dimolybdenum Units by Linkage Isomers of Bridged Oxamidate Dianions","Journal of the American Chemical Society","2003","125","","13564","13575","10.1021/ja036884e","","","0.71073","MoKα","","0.049","0.0375","","","0.0812","0.0881","","","","","","1.082","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114317","12.3488","0.0014","12.3488","0.0014","12.3488","0.0014","90","","90","","90","","1883.1","0.4","122","1","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","bis(tetramethylammonium)tetrachloronitridochromate(V)hydrate","","- C8 H26 Cl4 Cr N3 O -","- C8 H49.56 Cl4.02 Cr1.02 N3.02 O0.96 -","- C32 H198.24 Cl16.08 Cr4.08 N12.08 O3.84 -","4","0.0208333","","Jesper Bendix","[Cr(N)Cl4]2-: A Simple Nitrido Complex Synthesized by Nitrogen-Atom Transfer","Journal of the American Chemical Society","2003","125","","13348","13349","10.1021/ja0371000","","x-ray","0.71073","MoKα","","0.0714","0.0703","","","0.2184","0.2201","","","","","","1.197","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114318","9.223","0.004","8.553","0.004","10.143","0.005","90","","117.04","0.04","90","","712.7","0.6","223","2","223","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","1","","Patrick Bazinet; Glenn P. A. Yap; Darrin S. Richeson","Constructing a Stable Carbene with a Novel Topology and Electronic Framework","Journal of the American Chemical Society","2003","125","","13314","13315","10.1021/ja0372661","","","0.71073","MoKα","","0.088","0.0759","","","0.2471","0.2596","","","","","","1.035","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114319","10.241","0.002","16.129","0.003","14.067","0.003","90","","104.722","0.004","90","","2247.3","0.8","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cl N2 Rh -","- C25 H32 Cl N2 Rh -","- C100 H128 Cl4 N8 Rh4 -","4","1","","Patrick Bazinet; Glenn P. A. Yap; Darrin S. Richeson","Constructing a Stable Carbene with a Novel Topology and Electronic Framework","Journal of the American Chemical Society","2003","125","","13314","13315","10.1021/ja0372661","","","0.71073","MoKα","","0.0922","0.0724","","","0.1916","0.2037","","","","","","1.043","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114320","16.0423","0.0015","16.0437","0.0016","21.991","0.002","90","","98.632","0.002","90","","5595.9","0.9","295","2","295","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C17 H20 O -","- C17 H20 O -","- C272 H320 O16 -","16","4","","Gireesh M. Mahandru; Andy R. L. Skauge; Sanjoy K. Chowdhury; Kande K. D. Amarasinghe; Mary Jane Heeg; John Montgomery","Cascade Cyclizations and Couplings Involving Nickel Enolates","Journal of the American Chemical Society","2003","125","","13481","13485","10.1021/ja037423w","","","0.71073","MoKα","","0.2863","0.0599","","","0.1491","0.2117","","","","","","0.766","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114321","9.8636","0.0011","5.7493","0.0007","25.496","0.003","90","","99.645","0.002","90","","1425.4","0.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Gireesh M. Mahandru; Andy R. L. Skauge; Sanjoy K. Chowdhury; Kande K. D. Amarasinghe; Mary Jane Heeg; John Montgomery","Cascade Cyclizations and Couplings Involving Nickel Enolates","Journal of the American Chemical Society","2003","125","","13481","13485","10.1021/ja037423w","","","0.71073","MoKα","","0.1655","0.0436","","","0.0803","0.1078","","","","","","0.784","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114322","9.65","0.001","9.8364","0.0012","14.572","0.0017","90","","91.676","0.003","90","","1382.6","0.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","","Gireesh M. Mahandru; Andy R. L. Skauge; Sanjoy K. Chowdhury; Kande K. D. Amarasinghe; Mary Jane Heeg; John Montgomery","Cascade Cyclizations and Couplings Involving Nickel Enolates","Journal of the American Chemical Society","2003","125","","13481","13485","10.1021/ja037423w","","","0.71073","MoKα","","0.088","0.048","","","0.1172","0.1328","","","","","","0.971","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114323","7.7796","0.0015","7.8028","0.0015","9.2994","0.0018","99.115","0.003","90.767","0.003","100.417","0.003","547.67","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H42 O2 Os P2 -","- C18 H42 O2 Os P2 -","- C18 H42 O2 Os P2 -","1","0.5","","Miguel A. Esteruelas; Francisco J. Modrego; Enrique Oñate; Eva Royo","Dioxygen Activation by an Osmium-dihydride: Preparation and Characterization of a d4 Square-Planar Complex","Journal of the American Chemical Society","2003","125","","13344","13345","10.1021/ja037484u","","","0.71073","MoKα","","0.0231","0.0231","","","0.0485","0.0485","","","","","","1","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114324","8.0247","0.0015","9.0401","0.0017","16.608","0.003","90","","91.187","0.003","90","","1204.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Cl2 O2 Os P2 -","- C18 H42 Cl2 O2 Os P2 -","- C36 H84 Cl4 O4 Os2 P4 -","2","0.5","","Miguel A. Esteruelas; Francisco J. Modrego; Enrique Oñate; Eva Royo","Dioxygen Activation by an Osmium-dihydride: Preparation and Characterization of a d4 Square-Planar Complex","Journal of the American Chemical Society","2003","125","","13344","13345","10.1021/ja037484u","","","0.71073","MoKα","","0.0714","0.0465","","","0.103","0.1089","","","","","","0.933","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114325","14.0023","0.0007","18.9516","0.001","22.5404","0.0011","90","","90","","90","","5981.5","0.5","122","2","122","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H80 F6 N6 O9 -","- C59.92 H85.4 F0.864 N6 O8.607 -","- C239.68 H341.6 F3.456 N24 O34.428 -","4","1","","Cindy W. Wu; Kent Kirshenbaum; Tracy J. Sanborn; James A. Patch; Kai Huang; Ken A. Dill; Ronald N. Zuckermann; Annelise E. Barron","Structural and Spectroscopic Studies of Peptoid Oligomers with α-Chiral Aliphatic Side Chains","Journal of the American Chemical Society","2003","125","","13525","13530","10.1021/ja037540r","","","0.71073","MoKα","","0.1403","0.0924","","","0.2247","0.2488","","","","","","1.513","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114326","9.733","0.002","10.284","0.005","36.391","0.007","97.523","0.006","90.015","0.013","118.133","0.007","3176.5","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1,2-oxastibetane","3,4'-Diphenyl-3,4'-bis(trifluoromethyl)-1-[4-(t-butyl)phenyl]spiro [2,1-benzoxastibole-1(3H),2'λ^5^-[1,2-oxastibetane]","","- C34 H28 F9 O2 Sb -","- C34 H28 F9 O2 Sb -","- C136 H112 F36 O8 Sb4 -","4","2","","Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima","Synthesis, Structure, and Thermolysis of a Pentacoordinate 1,2-Oxastibetane","Journal of the American Chemical Society","2003","125","","13346","13347","10.1021/ja037586k","","","0.7107","MoKα","","0.1113","0.0988","","","0.1917","0.1964","","","","","","1.382","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114327","14.8309","0.0002","16.4624","0.0002","21.0129","0.0002","78.821","0.001","73.072","0.001","72.512","0.001","4649.28","0.1","176","2","176","2","","","","","","","synthetic","7","P -1","-P 1","2","Europium Macrobicyclic TRENSAM","","","- C36 H41 Br0.25 Cl0.25 Eu0.5 N8 O9 -","- C38.5 H41.5 Br0.25 Cl0.25 Eu0.5 N8.5 O13.975 -","- C154 H166 Br Cl Eu2 N34 O55.9 -","4","2","","Stéphane Petoud; Seth M. Cohen; Jean-Claude G. Bünzli; Kenneth N. Raymond","Stable Lanthanide Luminescence Agents Highly Emissive in Aqueous Solution: Multidentate 2-Hydroxyisophthalamide Complexes of Sm3+, Eu3+, Tb3+, Dy3+","Journal of the American Chemical Society","2003","125","","13324","13325","10.1021/ja0379363","","","0.71073","MoKα","","0.1646","0.1348","","0.3893","0.3411","","","","1.133","1.118","1.118","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114328","7.9727","0.0013","8.516","0.001","13.153","0.002","84.086","0.003","81.373","0.003","84.421","0.003","875.2","0.2","153.2","","153.2","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Todd L. Kurth; Frederick D. Lewis","Ground-State Conformational Equilibrium and Photochemical Behavior of Syn and Anti N,N'-Dimethyl-N,N'-di-1-naphthylurea Protophanes","Journal of the American Chemical Society","2003","125","","13760","13767","10.1021/ja034311w","","","0.7107","MoKα","","0.064","0.061","","0.134","","0.0889","","","3.834","","","4.24","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114329","4.58","0.02","11.27","0.03","14.71","0.05","90","0.007","91.3","0.8","90","","759","5","153.2","","153.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H16 N2 O -","- C21 H14 N2 O -","- C42 H28 N4 O2 -","2","1","","Todd L. Kurth; Frederick D. Lewis","Ground-State Conformational Equilibrium and Photochemical Behavior of Syn and Anti N,N'-Dimethyl-N,N'-di-1-naphthylurea Protophanes","Journal of the American Chemical Society","2003","125","","13760","13767","10.1021/ja034311w","","","0.70932","synchrotron","","0.1961","0.149","","0.275","","","","","9.503","","","9.5","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114330","11.239","0.005","10.953","0.005","12.182","0.005","90","0.005","105.337","0.005","90","0.005","1446.2","1.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H49 Cl N4 -","- C26 H49 Cl N4 -","- C52 H98 Cl2 N8 -","2","1","","Olivier Siri; Pierre Braunstein; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","Novel ""Potentially Antiaromatic"", Acidichromic Quinonediimines with Tunable Delocalization of Their 6π-Electron Subunits","Journal of the American Chemical Society","2003","125","","13793","13803","10.1021/ja035463u","","","0.71069","MoKα","","0.1003","0.0691","","","0.1785","0.1963","","","","","","1.052","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114331","10.944","0.005","22.92","0.005","12.172","0.005","90","0.005","96.949","0.005","90","0.005","3031","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H49 B F4 N4 -","- C26 H49 B F4 N4 -","- C104 H196 B4 F16 N16 -","4","1","","Olivier Siri; Pierre Braunstein; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","Novel ""Potentially Antiaromatic"", Acidichromic Quinonediimines with Tunable Delocalization of Their 6π-Electron Subunits","Journal of the American Chemical Society","2003","125","","13793","13803","10.1021/ja035463u","","","0.71069","MoKα","","0.3093","0.0941","","","0.1631","0.2358","","","","","","0.853","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114332","15.0604","0.0002","14.9707","0.0003","19.7491","0.0003","90","","108.537","0.001","90","","4221.71","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 Cl11 N4 -","- C29 H53 Cl11 N4 -","- C116 H212 Cl44 N16 -","4","1","","Olivier Siri; Pierre Braunstein; Marie-Madeleine Rohmer; Marc Bénard; Richard Welter","Novel ""Potentially Antiaromatic"", Acidichromic Quinonediimines with Tunable Delocalization of Their 6π-Electron Subunits","Journal of the American Chemical Society","2003","125","","13793","13803","10.1021/ja035463u","","","0.71073","MoKα","","0.1074","0.0708","","","0.1992","0.2189","","","","","","1.058","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114333","10.367","0.006","11.437","0.006","19.44","0.01","90","","102.35","0.03","90","","2252","2","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H36 Co N14 S2 -","- C50 H36 Co N14 S2 -","- C100 H72 Co2 N28 S4 -","2","0.5","","Satoru Karasawa; Guangyuan Zhou; Hiroshi Morikawa; Noboru Koga","Magnetic Properties of Tetrakis[4-(α-diazobenzyl)pyridine]bis(thiocyanato-N)cobalt(II) in Frozen Solution after Irradiation. Formation of a Single-Molecule Magnet in Frozen Solution","Journal of the American Chemical Society","2003","125","","13676","13677","10.1021/ja035478s","","","0.7107","MoKα","","","0.039","","","","0.081","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114334","14.8174","0.0008","15.9698","0.0012","17.6032","0.0011","107.677","0.006","94.282","0.005","103.261","0.005","3815.9","0.5","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H114 N6 O9 Ru3 -","- C75 H114 N6 O9 Ru3 -","- C150 H228 N12 O18 Ru6 -","2","1","","Zacharias Grote; Marie-Line Lehaire; Rosario Scopelliti; Kay Severin","Selective Complexation of Li+ in Water at Neutral pH Using a Self-Assembled Ionophore","Journal of the American Chemical Society","2003","125","","13638","13639","10.1021/ja036621k","","","0.71073","MoKα","","0.0475","0.0397","","","0.1064","0.1123","","","","","","1.106","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114335","10.0322","0.0002","10.0322","0.0002","15.514","0.0005","90","","90","","120","","1352.22","0.06","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C31 H45 O U -","- C31 H45 O U -","- C62 H90 O2 U2 -","2","0.166667","","William J. Evans; Stosh A. Kozimor; Gregory W. Nyce; Joseph W. Ziller","Comparative Reactivity of Sterically Crowded nf3 (C5Me5)3Nd and (C5Me5)3U Complexes with CO: Formation of a Nonclassical Carbonium Ion versus an f Element Metal Carbonyl Complex","Journal of the American Chemical Society","2003","125","","13831","13835","10.1021/ja036631l","","","0.71073","MoKα","","0.0174","0.0161","","","0.0419","0.0425","","","","","","1.148","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114336","10.9999","0.0003","12.3577","0.0002","16.7301","0.0003","90","","93.935","0.001","90","","2268.82","0.08","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H53 F6 N4 O4 P -","- C48 H53 F6 N4 O4 P -","- C96 H106 F12 N8 O8 P2 -","2","1","","Sung-Gon Kim; Kyung-Hyun Kim; Young Kook Kim; Seung Koo Shin; Kyo Han Ahn","Crucial Role of Three-Center Hydrogen Bonding in a Challenging Chiral Molecular Recognition","Journal of the American Chemical Society","2003","125","","13819","13824","10.1021/ja037031p","","","0.71073","MoKα","","0.0917","0.0665","","","0.1434","0.165","","","","","","1.106","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114337","10.661","0.0002","13.027","0.0003","21.9266","0.0004","90","","101.584","0.001","90","","2983.16","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Ir N P2 -","- C30 H50 Ir N P2 -","- C120 H200 Ir4 N4 P8 -","4","1","","Mira Kanzelberger; Xiawei Zhang; Thomas J. Emge; Alan S. Goldman; Jing Zhao; Christopher Incarvito; John F. Hartwig","Distinct Thermodynamics for the Formation and Cleavage of N-H Bonds in Aniline and Ammonia. Directly-Observed Reductive Elimination of Ammonia from an Isolated Amido Hydride Complex","Journal of the American Chemical Society","2003","125","","13644","13645","10.1021/ja037363u","","","0.71073","MoKα","","0.0198","0.0176","","","0.0386","0.0392","","","","","","0.998","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114338","9.7518","0.0003","15.587","0.0005","20.1914","0.0007","90","","96.472","0.001","90","","3049.56","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H50 Ir N O P2 -","- C31 H50 Ir N O P2 -","- C124 H200 Ir4 N4 O4 P8 -","4","1","","Mira Kanzelberger; Xiawei Zhang; Thomas J. Emge; Alan S. Goldman; Jing Zhao; Christopher Incarvito; John F. Hartwig","Distinct Thermodynamics for the Formation and Cleavage of N-H Bonds in Aniline and Ammonia. Directly-Observed Reductive Elimination of Ammonia from an Isolated Amido Hydride Complex","Journal of the American Chemical Society","2003","125","","13644","13645","10.1021/ja037363u","","","0.71073","MoKα","","0.0285","0.0235","","","0.0505","0.0522","","","","","","1.01","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114339","14.938","0.003","15.383","0.003","24.065","0.005","90","","106.9","0.03","90","","5291","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Ir N P2 -","- C24 H46 Ir N P2 -","- C192 H368 Ir8 N8 P16 -","8","2","","Mira Kanzelberger; Xiawei Zhang; Thomas J. Emge; Alan S. Goldman; Jing Zhao; Christopher Incarvito; John F. Hartwig","Distinct Thermodynamics for the Formation and Cleavage of N-H Bonds in Aniline and Ammonia. Directly-Observed Reductive Elimination of Ammonia from an Isolated Amido Hydride Complex","Journal of the American Chemical Society","2003","125","","13644","13645","10.1021/ja037363u","","","0.71073","MoKα","","0.081","0.0349","","","0.0587","0.0708","","","","","","0.912","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114340","11.291","0.002","11.463","0.002","24.15","0.005","90","","90","","90","","3125.7","1","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H55 Ir N2 P2 -","- C29 H55 Ir N2 P2 -","- C116 H220 Ir4 N8 P8 -","4","1","","Mira Kanzelberger; Xiawei Zhang; Thomas J. Emge; Alan S. Goldman; Jing Zhao; Christopher Incarvito; John F. Hartwig","Distinct Thermodynamics for the Formation and Cleavage of N-H Bonds in Aniline and Ammonia. Directly-Observed Reductive Elimination of Ammonia from an Isolated Amido Hydride Complex","Journal of the American Chemical Society","2003","125","","13644","13645","10.1021/ja037363u","","","0.71073","MoKα","","0.0423","0.0335","","","0.0727","0.0763","","","","","","1.071","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114341","24.519","0.006","9.344","0.002","19.291","0.005","90","0.004","122.694","0.003","90","0.004","3719.5","1.6","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H70 Li2 N4 -","- C38 H70 Li2 N4 -","- C152 H280 Li8 N16 -","4","1","","Carsten Strohmann; Katja Strohfeldt; Daniel Schildbach","The Crystal Structures of the Chiral Alkyllithium Bases [n-BuLi.(-)-Sparteine]2 and [Et2O.(i-PrLi)2.(-)-Sparteine]","Journal of the American Chemical Society","2003","125","","13672","13673","10.1021/ja0374372","","","0.71073","MoKα","","0.069","0.0584","","","0.1568","0.1639","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114342","12.7609","0.0007","11.7641","0.0007","18.4451","0.0011","90","","105.703","0.001","90","","2665.6","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H50 Li2 N2 O -","- C25 H50 Li2 N2 O -","- C100 H200 Li8 N8 O4 -","4","2","","Carsten Strohmann; Katja Strohfeldt; Daniel Schildbach","The Crystal Structures of the Chiral Alkyllithium Bases [n-BuLi.(-)-Sparteine]2 and [Et2O.(i-PrLi)2.(-)-Sparteine]","Journal of the American Chemical Society","2003","125","","13672","13673","10.1021/ja0374372","","","0.71073","MoKα","","0.0912","0.051","","","0.0747","0.0801","","","","","","1.011","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114343","10.955","0.0006","14.568","0.0008","6.737","0.0002","90","","99.408","0.003","90","","1060.71","0.09","110","2","110","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C16 H36 Cl2 F2 P2 Pd -","- C16 H36 Cl2 F2 P2 Pd -","- C32 H72 Cl4 F4 P4 Pd2 -","2","0.5","","Anette Yahav; Israel Goldberg; Arkadi Vigalok","Synthesis of the Elusive (R3P)2MF2 (M = Pd, Pt) Complexes","Journal of the American Chemical Society","2003","125","","13634","13635","10.1021/ja0377753","","","0.71073","MoKα","","0.044","0.0375","","","0.0744","0.0774","","","","","","1.066","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114344","10.6046","0.0001","18.4424","0.0004","7.9205","0.0002","90","","107.209","0.001","90","","1479.7","0.05","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 O2 -","- C36 H40 N4 O2 -","- C72 H80 N8 O4 -","2","0.5","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch","Calix[2]bipyrrole[2]furan and Calix[2]bipyrrole[2]thiophene: New Pyrrolic Receptors Exhibiting a Preference for Carboxylate Anions","Journal of the American Chemical Society","2003","125","","13646","13647","10.1021/ja038264j","","","0.71073","MoKα","","0.1372","0.0946","","","0.1249","0.1356","","","","","","1.198","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114345","10.0674","0.0003","20.8027","0.0005","19.2138","0.0006","90","","97.053","0.001","90","","3993.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 N4 O2 S2 -","- C41.9 H53.2 N4 O2 S1.65 -","- C167.6 H212.8 N16 O8 S6.6 -","4","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch","Calix[2]bipyrrole[2]furan and Calix[2]bipyrrole[2]thiophene: New Pyrrolic Receptors Exhibiting a Preference for Carboxylate Anions","Journal of the American Chemical Society","2003","125","","13646","13647","10.1021/ja038264j","","","0.71073","MoKα","","0.1571","0.1223","","","0.1846","0.1885","","","","","","3.072","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114346","8.1904","0.0003","28.139","0.001","9.196","0.0004","90","","92.723","0.003","90","","2117.01","0.14","173.2","","173.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C48 H52 Si4 -","- C48 H52 Si4 -","- C96 H104 Si8 -","2","0.5","","Shigehiro Yamaguchi; Caihong Xu; Kohei Tamao","Bis-Silicon-Bridged Stilbene Homologues Synthesized by New Intramolecular Reductive Double Cyclization","Journal of the American Chemical Society","2003","125","","13662","13663","10.1021/ja038487+","","","0.7107","MoKα","","0.0481","0.0481","","","0.0701","0.0701","","","","","","1.223","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114347","37.6785","0.0007","37.6785","0.0007","8.196","0.0001","90","","90","","120","","10076.7","0.3","200","2","200","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C468 H486 N18 O54 S18 -","18","1","","Aaron C. Kinsman; Michael A. Kerr","The Total Synthesis of (+)-Hapalindole Q by an Organomediated Diels-Alder Reaction","Journal of the American Chemical Society","2003","125","","14120","14125","10.1021/ja036191y","","","0.71073","MoKα","","0.0609","0.0407","","","0.0907","0.0973","","","","","","1.006","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114348","9.9592","0.0012","12.7307","0.0015","17.002","0.002","97.201","0.014","97.631","0.014","109.184","0.014","1984.8","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cl4 Mn4 N4 O8 -","- C36 H36 Cl4 Mn4 N4 O8 -","- C72 H72 Cl8 Mn8 N8 O16 -","2","1","","Colette Boskovic; Roland Bircher; Philip L. W. Tregenna-Piggott; Hans U. Güdel; Carley Paulsen; Wolfgang Wernsdorfer; Anne-Laure Barra; Eugene Khatsko; Antonia Neels; Helen Stoeckli-Evans","Ferromagnetic and Antiferromagnetic Intermolecular Interactions in a New Family of Mn4 Complexes with an Energy Barrier to Magnetization Reversal","Journal of the American Chemical Society","2003","125","","14046","14058","10.1021/ja0367086","","","0.71073","MoKα","","0.1358","0.0844","","","0.2106","0.2323","","","","","","0.893","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114349","10.2734","0.0009","12.5078","0.0012","19.1271","0.0019","71.96","0.011","88.22","0.011","81.644","0.011","2311.9","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H42.75 Cl4 Mn4 N6.25 O8 -","- C40.5 H42.75 Cl4 Mn4 N6.25 O8 -","- C81 H85.5 Cl8 Mn8 N12.5 O16 -","2","1","","Colette Boskovic; Roland Bircher; Philip L. W. Tregenna-Piggott; Hans U. Güdel; Carley Paulsen; Wolfgang Wernsdorfer; Anne-Laure Barra; Eugene Khatsko; Antonia Neels; Helen Stoeckli-Evans","Ferromagnetic and Antiferromagnetic Intermolecular Interactions in a New Family of Mn4 Complexes with an Energy Barrier to Magnetization Reversal","Journal of the American Chemical Society","2003","125","","14046","14058","10.1021/ja0367086","","","0.71073","MoKα","","0.0621","0.0349","","","0.0728","0.0784","","","","","","0.84","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114350","10.2776","0.001","13.1387","0.0012","19.0355","0.0016","71.828","0.01","89.729","0.011","83.569","0.011","2425.6","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45 Br4 Mn4 N7 O8 -","- C42 H45 Br4 Mn4 N7 O8 -","- C84 H90 Br8 Mn8 N14 O16 -","2","1","","Colette Boskovic; Roland Bircher; Philip L. W. Tregenna-Piggott; Hans U. Güdel; Carley Paulsen; Wolfgang Wernsdorfer; Anne-Laure Barra; Eugene Khatsko; Antonia Neels; Helen Stoeckli-Evans","Ferromagnetic and Antiferromagnetic Intermolecular Interactions in a New Family of Mn4 Complexes with an Energy Barrier to Magnetization Reversal","Journal of the American Chemical Society","2003","125","","14046","14058","10.1021/ja0367086","","","0.71073","MoKα","","0.083","0.0428","","","0.0865","0.094","","","","","","0.889","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114351","15.8213","0.0008","15.8213","0.0008","11.4105","0.0006","90","","90","","90","","2856.2","0.3","153","2","153","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H68 Cl4 Mn4 N4 O8 -","- C52 H68 Cl4 Mn4 N4 O8 -","- C104 H136 Cl8 Mn8 N8 O16 -","2","0.25","","Colette Boskovic; Roland Bircher; Philip L. W. Tregenna-Piggott; Hans U. Güdel; Carley Paulsen; Wolfgang Wernsdorfer; Anne-Laure Barra; Eugene Khatsko; Antonia Neels; Helen Stoeckli-Evans","Ferromagnetic and Antiferromagnetic Intermolecular Interactions in a New Family of Mn4 Complexes with an Energy Barrier to Magnetization Reversal","Journal of the American Chemical Society","2003","125","","14046","14058","10.1021/ja0367086","","","0.71073","MoKα","","0.0363","0.0333","","","0.0896","0.0918","","","","","","1.045","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114352","23.584","0.004","24.664","0.004","12.91","0.002","90","","90","","90","","7509","2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(K-crypt)2[[Ph-(Ge9)-SbPh2].tol","","- C61 H95 Ge9 K2 N4 O12 Sb -","- C61 H95 Ge9 K2 N4 O12 Sb -","- C244 H380 Ge36 K8 N16 O48 Sb4 -","4","1","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.0966","0.0646","","","0.1642","0.1859","","","","","","1.103","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114353","14.333","0.005","26.108","0.008","38.643","0.014","80.472","0.007","82.169","0.006","84.332","0.008","14085","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)4[Ph2Sb-Ge9-Ge9-SbPh2].2.5en","","- C101 H184 Ge18 K4 N13 O24 Sb2 -","- C101 H184.05 Ge18 K4 N13 O24 Sb2 -","- C404 H736.2 Ge72 K16 N52 O96 Sb8 -","4","2","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.1734","0.084","","","0.1928","0.2404","","","","","","1.002","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114354","9.3854","0.0005","13.5391","0.0007","19.456","0.001","84.522","0.001","81.39","0.001","80.176","0.001","2402.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(K-crypt)2K4[Ge9-Ge9].8en","","- C26 H61 Ge9 K3 N10 O6 -","- C26 H61 Ge9 K3 N10 O6 -","- C52 H122 Ge18 K6 N20 O12 -","2","1","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.0783","0.052","","","0.1297","0.1467","","","","","","0.952","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114355","15.187","0.003","37.638","0.008","23.04","0.005","90","","90","","90","","13170","5","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","(K-18C6)6[Ge9=Ge9=Ge9].2en","","- C75 H158 Ge27 K6 N4 O36 -","- C75 H157.99 Ge27 K6 N4 O36 -","- C300 H631.96 Ge108 K24 N16 O144 -","4","0.5","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.1782","0.1184","","","0.2735","0.2939","","","","","","1.097","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114356","9.8013","0.0006","30.734","0.002","15.5347","0.001","90","","101.774","0.001","90","","4581.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(K-18C6)2K2[Ge9]","","- C24 H48 Ge9 K4 O12 -","- C24 H48 Ge9 K4 O12 -","- C96 H192 Ge36 K16 O48 -","4","1","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.1763","0.0866","","","0.2197","0.2578","","","","","","0.987","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114357","18.1006","0.0018","15.4909","0.0016","24.589","0.003","90","","96.513","0.002","90","","6850.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(K-18C6)3[Ge9].3en","","- C42 H96 Ge9 K3 N6 O18 -","- C42 H96.03 Ge9 K3 N6 O18 -","- C168 H384.12 Ge36 K12 N24 O72 -","4","1","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.1832","0.1041","","","0.2835","0.3255","","","","","","1.077","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114358","10.138","0.003","13.881","0.002","19.311","0.004","76.76","0.01","80.9","0.02","78.6","0.01","2574.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Rb-crypt)2Rb4(Ge9)(Ge9).7en","","- C24 H34 Ge9 N9 O6 Rb3 -","- C24 H34 Ge9 N9 O6 Rb3 -","- C48 H68 Ge18 N18 O12 Rb6 -","2","1","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.2263","0.0948","","","0.209","0.2541","","","","","","0.963","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114359","18.139","0.002","24.386","0.003","22.478","0.003","90","","110.283","0.002","90","","9326","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Ir4(CO)3(mu4-CH)(PMe3)2(mu-PMe2)(CNCH2C6H5) (mu-eta2,eta2-C60)(mu4-eta1,eta1,eta2,eta2-C60) (1)","","- C147.75 H36 Cl2 Ir4 N O3 P3 S3.5 -","- C147.75 H36 Cl2 Ir4 N O3 P3 S3.5 -","- C591 H144 Cl8 Ir16 N4 O12 P12 S14 -","4","1","","Gaehang Lee; Youn-Jaung Cho; Bo Keun Park; Kwangyeol Lee; Joon T. Park","Two Metal Centers Bridging Two C60 Cages as a Wide Passage for Efficient Interfullerene Electronic Interaction","Journal of the American Chemical Society","2003","125","","13920","13921","10.1021/ja037106p","","","0.71073","MoKα","","0.1427","0.0646","","","0.1528","0.1956","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114360","6.1314","0.0003","12.8797","0.0007","13.1406","0.0007","98.324","0.001","103.448","0.001","101.176","0.001","970.33","0.09","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C40 H56 N4 O10 -","2","1","","Deborah M. Smith; Michelle B. Tran; K. A. Woerpel","Nucleophilic Additions to Fused Bicyclic Five-Membered Ring Oxocarbenium Ions: Evidence for Preferential Attack on the Inside Face","Journal of the American Chemical Society","2003","125","","14149","14152","10.1021/ja0375176","","","0.71073","MoKα","","0.0903","0.0522","","","0.1072","0.1268","","","","","","1.035","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114361","11.872","0.0002","12.8355","0.0003","20.9817","0.0004","79.8348","0.001","74.1654","0.0011","73.5959","0.0012","2933.55","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C96 H152 Cl8 O8 P8 Pt4 -","- C96 H152 Cl8 O8 P8 Pt4 -","- C96 H152 Cl8 O8 P8 Pt4 -","1","0.5","","Neeladri Das; Partha Sarathi Mukherjee; Atta M. Arif; Peter J. Stang","Facile Self-Assembly of Predesigned Neutral 2D Pt-Macrocycles via a New Class of Rigid Oxygen Donor Linkers","Journal of the American Chemical Society","2003","125","","13950","13951","10.1021/ja037788g","","","0.71073","MoKα","","0.0683","0.0465","","","0.1191","0.1332","","","","","","1.041","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114362","16.5367","0.0003","14.5788","0.0003","22.3754","0.0003","90","","110.644","0.001","90","","5047.99","0.16","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H142 Cl6 O8 P8 Pt4 -","- C86 H142 Cl6 O8 P8 Pt4 -","- C172 H284 Cl12 O16 P16 Pt8 -","2","0.5","","Neeladri Das; Partha Sarathi Mukherjee; Atta M. Arif; Peter J. Stang","Facile Self-Assembly of Predesigned Neutral 2D Pt-Macrocycles via a New Class of Rigid Oxygen Donor Linkers","Journal of the American Chemical Society","2003","125","","13950","13951","10.1021/ja037788g","","","0.71073","MoKα","","0.1072","0.0948","","","0.2684","0.2759","","","","","","1.124","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114363","8.8037","0.0006","22.6796","0.0015","17.6793","0.00012","90","","102.919","0.001","90","","3440.6","0.3","153","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Co3 N24 S6 -","- C18 H24 Co3 N24 S6 -","- C72 H96 Co12 N96 S24 -","4","1","","Tian-Fu Liu; Dan Fu; Song Gao; Yuan-Zhu Zhang; Hao-Ling Sun; Gang Su; Yong-Jiang Liu","An Azide-Bridged Homospin Single-Chain Magnet: [Co(2,2'-bithiazoline)(N3)2]n","Journal of the American Chemical Society","2003","125","","13976","13977","10.1021/ja0380751","","","0.71073","MoKα","","0.1256","0.0602","","","0.1187","0.137","","","","","","0.874","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114364","9.4795","0.0019","9.6597","0.0019","9.7248","0.0019","60.95","0.03","66.93","0.03","73.92","0.03","712","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Co N8 -","- C14 H12 Co N8 -","- C28 H24 Co2 N16 -","2","1","","Tian-Fu Liu; Dan Fu; Song Gao; Yuan-Zhu Zhang; Hao-Ling Sun; Gang Su; Yong-Jiang Liu","An Azide-Bridged Homospin Single-Chain Magnet: [Co(2,2'-bithiazoline)(N3)2]n","Journal of the American Chemical Society","2003","125","","13976","13977","10.1021/ja0380751","","","0.71073","MoKα","","0.0939","0.0543","","","0.1148","0.1299","","","","","","1.062","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114365","17.5719","0.0016","8.3749","0.0007","23.26","0.002","90","","90","","90","","3423","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 I O4 -","- C16 H17 I O4 -","- C128 H136 I8 O32 -","8","1","","Shengming Ma; Junliang Zhang; Yangjun Cai; Lianghua Lu","An X-(X = I, Br)-Triggered Ring-Opening Coupling Reaction of Cyclopropenes with Organic Halides","Journal of the American Chemical Society","2003","125","","13954","13955","10.1021/ja038131y","","","0.71073","MoKα","","0.0724","0.0422","","","0.1055","0.1162","","","","","","0.916","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114366","7.0765","0.0004","22.4698","0.0012","11.6678","0.0006","90","","100.383","0.002","90","","1824.89","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Christopher E. Katz; Jeffrey Aubé","Unusual Tethering Effects in the Schmidt Reaction of Hydroxyalkyl Azides with Ketones: Cation-π and Steric Stabilization of a Pseudoaxial Phenyl Group","Journal of the American Chemical Society","2003","125","","13948","13949","10.1021/ja0382361","","","0.71073","MoKα","","0.0659","0.0535","","","0.1383","0.1473","","","","","","1.038","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114367","17.508","0.002","13.1488","0.0017","9.3053","0.0012","90","","98.716","0.003","90","","2117.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N O5 -","- C22 H35 N O5 -","- C88 H140 N4 O20 -","4","1","","Christopher E. Katz; Jeffrey Aubé","Unusual Tethering Effects in the Schmidt Reaction of Hydroxyalkyl Azides with Ketones: Cation-π and Steric Stabilization of a Pseudoaxial Phenyl Group","Journal of the American Chemical Society","2003","125","","13948","13949","10.1021/ja0382361","","","0.71073","MoKα","","0.11","0.0672","","","0.15","0.1679","","","","","","1.04","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114368","15.809","0.014","6.497","0.006","18.623","0.019","90","","97.64","0.03","90","","1896","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 N O3 -","- C20 H31 N O3 -","- C80 H124 N4 O12 -","4","1","","Christopher E. Katz; Jeffrey Aubé","Unusual Tethering Effects in the Schmidt Reaction of Hydroxyalkyl Azides with Ketones: Cation-π and Steric Stabilization of a Pseudoaxial Phenyl Group","Journal of the American Chemical Society","2003","125","","13948","13949","10.1021/ja0382361","","","0.71073","MoKα","","0.1249","0.0768","","","0.1868","0.2075","","","","","","0.976","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114369","40.0967","0.0009","40.0967","0.0009","6.2389","0.0003","90","","90","","120","","8686.7","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19.33 H28.67 Cl0.67 N2 O4 -","- C19 H28 N2 O4 -","- C342 H504 N36 O72 -","18","1","","Christopher E. Katz; Jeffrey Aubé","Unusual Tethering Effects in the Schmidt Reaction of Hydroxyalkyl Azides with Ketones: Cation-π and Steric Stabilization of a Pseudoaxial Phenyl Group","Journal of the American Chemical Society","2003","125","","13948","13949","10.1021/ja0382361","","","0.71073","MoKα","","0.0541","0.0466","","","0.1172","0.1214","","","","","","1.033","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114370","11.859","0.004","12.026","0.004","13.269","0.003","90","","97.4","0.02","90","","1876.6","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C80 H124 N4 O8 -","4","1","","Christopher E. Katz; Jeffrey Aubé","Unusual Tethering Effects in the Schmidt Reaction of Hydroxyalkyl Azides with Ketones: Cation-π and Steric Stabilization of a Pseudoaxial Phenyl Group","Journal of the American Chemical Society","2003","125","","13948","13949","10.1021/ja0382361","","","1.54178","CuKα","","0.0714","0.0526","","","0.1485","0.1605","","","","","","1.037","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114371","11.5178","0.0009","21.9995","0.0018","11.0513","0.0009","90","","103.298","0.002","90","","2725.2","0.4","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 Cl6 S6 -","- C24 H8 Cl6 S6 -","- C96 H32 Cl24 S24 -","4","1","","Michael J. Marsella; Kunsang Yoon; Adah Almutairi; Sheraz K. Butt; Fook S. Tham","Helical Sexithiophenes: An Experimental and Theoretical Study Implicating the Alternating 2,2':3,3' Regioisomer as a Reliable Helical Motif","Journal of the American Chemical Society","2003","125","","13928","13929","10.1021/ja038260e","","","0.71073","MoKα","","0.036","0.0311","","","0.0805","0.0853","","","","","","1.029","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114372","11.127","0.005","16.123","0.01","32.806","0.013","90","","96.92","0.013","90","","5843","5","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H6 Cl8 S6 -","- C24 H6 Cl8 S6 -","- C192 H48 Cl64 S48 -","8","2","","Michael J. Marsella; Kunsang Yoon; Adah Almutairi; Sheraz K. Butt; Fook S. Tham","Helical Sexithiophenes: An Experimental and Theoretical Study Implicating the Alternating 2,2':3,3' Regioisomer as a Reliable Helical Motif","Journal of the American Chemical Society","2003","125","","13928","13929","10.1021/ja038260e","","","0.71073","MoKα","","0.0551","0.0411","","","0.1034","0.1129","","","","","","1.027","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114373","10.88","0.003","19.026","0.005","15.552","0.004","90","","109.939","0.006","90","","3026.3","1.4","218","2","218","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H6 Br2 Cl6 S6 -","- C24 H6 Br2 Cl6 S6 -","- C96 H24 Br8 Cl24 S24 -","4","1","","Michael J. Marsella; Kunsang Yoon; Adah Almutairi; Sheraz K. Butt; Fook S. Tham","Helical Sexithiophenes: An Experimental and Theoretical Study Implicating the Alternating 2,2':3,3' Regioisomer as a Reliable Helical Motif","Journal of the American Chemical Society","2003","125","","13928","13929","10.1021/ja038260e","","","0.71073","MoKα","","0.0749","0.0509","","","0.128","0.1412","","","","","","1.045","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114374","9.175","0.002","13.37","0.002","11.119","0.002","90","","103.68","0.02","90","","1325.3","0.4","301.2","","301.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H39 N3 O5 -","- C24 H39 N3 O5 -","- C48 H78 N6 O10 -","2","1","","Dan Yang; Jin Qu; Wei Li; De-Ping Wang; Yi Ren; Yun-Dong Wu","A Reverse Turn Structure Induced by ad,l-α-Aminoxy Acid Dimer","Journal of the American Chemical Society","2003","125","","14452","14457","10.1021/ja029514j","","","0.7107","MoKalpha","","","0.0821","","","0.1046","","","","","1.747","1.747","","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114375","13.371","0.006","13.509","0.006","13.777","0.007","90","","107.313","0.006","90","","2375.8","1.9","223.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 F3 N2 O3 Ru S -","- C23 H27 F3 N2 O3 Ru S -","- C92 H108 F12 N8 O12 Ru4 S4 -","4","1","","Hideki Hayashi; Seiji Ogo; Tsutomu Abura; Shunichi Fukuzumi","Accelerating Effect of a Proton on the Reduction of CO2 Dissolved in Water under Acidic Conditions. Isolation, Crystal Structure, and Reducing Ability of a Water-Soluble Ruthenium Hydride Complex","Journal of the American Chemical Society","2003","125","","14266","14267","10.1021/ja036117f","","","0.7107","MoKα","","","0.0453","","","","0.0827","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114376","18.934","0.003","10.451","0.0016","15.711","0.002","90","","90","","90","","3108.9","0.8","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H43 F3 O3 P2 S -","- C31 H43 F3 O3 P2 S -","- C124 H172 F12 O12 P8 S4 -","4","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","x-ray","0.71073","MoKα","","0.056","0.041","","","0.0798","0.085","","","","","","1.02","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114377","9.881","0.001","14.6051","0.0014","28.467","0.003","90","","91.502","0.002","90","","4106.7","0.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H35 Cl5 Ga P3 -","- C42 H34 Cl4 Ga P3 -","- C168 H136 Cl16 Ga4 P12 -","4","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","","0.71073","MoKα","","0.136","0.0829","","","0.2024","0.2272","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114378","10.0399","0.0015","10.6383","0.0016","14.648","0.002","102.753","0.003","107.407","0.003","100.374","0.003","1404.2","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 F3 O3 P3 S -","- C27 H32 F3 O3 P3 S -","- C54 H64 F6 O6 P6 S2 -","2","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","x-ray","0.71073","MoKα","","0.0835","0.0508","","","0.1055","0.1179","","","","","","1.024","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114379","11.569","0.003","8.265","0.002","19.965","0.005","90","","97.214","0.005","90","","1893.9","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 F3 O3 P2 S -","- C16 H19 F3 O3 P2 S -","- C64 H76 F12 O12 P8 S4 -","4","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","","0.71073","MoKα","","0.1424","0.0956","","","0.2113","0.2418","","","","","","1.038","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114380","18.482","0.006","27.662","0.008","10.744","0.005","90","","90","","90","","5493","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl5 Ga P2 -","- C24 H20 Cl5 Ga P2 -","- C192 H160 Cl40 Ga8 P16 -","8","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","","1.5418","CuKα","","0.2658","0.0512","","0.2082","0.1329","","","","0.971","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114381","6.8309","0.0004","6.8118","0.0004","22.2279","0.001","90","","90","","113.993","0.003","944.91","0.09","298","2","298","","","","","","","","synthesis as described","5","B 1 1 m","B -2","8","","","","- Eu1.14 K0.5 Na1.08 O10.28 Si3 -","- Eu1.14 K0.5 Na1.08 O10.28 Si3 -","- Eu4.56 K2 Na4.32 O41.12 Si12 -","4","1","","Artur Ferreira; Duarte Ananias; Luís D. Carlos; Cláudia M. Morais; João Rocha","Novel Microporous Lanthanide Silicates with Tobermorite-Like Structure","Journal of the American Chemical Society","2003","125","","14573","14579","10.1021/ja036988p","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0764","2.41","","","","","","","has coordinates","213922","2020-10-21","18:00:00",""
"4114382","10.4","0.01","6.717","0.006","5.962","0.007","80.37","0.05","118.08","0.05","114.8","0.05","333.3","0.6","293","2","293","2","","","","","","","","3","P 1","P 1","1","cellulose","","","- C12 H24 O10 -","- C12 H14 O10 -","- C12 H14 O10 -","1","1","","Yoshiharu Nishiyama; Junji Sugiyama; Henri Chanzy; Paul Langan","Crystal Structure and Hydrogen Bonding System in Cellulose Iαfrom Synchrotron X-ray and Neutron Fiber Diffraction","Journal of the American Chemical Society","2003","125","","14300","14306","10.1021/ja037055w","","","0.7206","synchrotron","","0.1867","0.1779","","","0.4296","0.4353","","","","","","2.408","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114383","10.4","0.0005","6.717","0.006","5.962","0.007","80.37","0.05","118.08","0.05","114.8","0.05","333.3","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","cellulose","","","- C12 H14 D10 O6 -","- C12 H14 D6 O10 -","- C12 H14 D6 O10 -","1","1","","Yoshiharu Nishiyama; Junji Sugiyama; Henri Chanzy; Paul Langan","Crystal Structure and Hydrogen Bonding System in Cellulose Iαfrom Synchrotron X-ray and Neutron Fiber Diffraction","Journal of the American Chemical Society","2003","125","","14300","14306","10.1021/ja037055w","","","1.3058","","","0.205","0.2049","","","0.4566","0.4566","","","","","","2.688","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114384","4.9128","0.0018","14.764","0.005","13.671","0.005","90","","98.129","0.006","90","","981.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HBPEt","4-Ethyl-4H-bis[1,2,3]dithiazolo[4,5-b:5',4'-e]pyridin-yl","","- C7 H6 N3 S4 -","- C7 H6 N3 S4 -","- C28 H24 N12 S16 -","4","1","","Leanne Beer; James F. Britten; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Douglas S. MacGregor; Richard T. Oakley; Robert W. Reed; Craig M. Robertson","Prototypal Dithiazolodithiazolyl Radicals: Synthesis, Structures, and Transport Properties","Journal of the American Chemical Society","2003","125","","14394","14403","10.1021/ja0371350","","","0.71073","MoKα","","0.0628","0.037","","","0.0851","0.0935","","","","","","1.018","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114385","19.2352","0.0008","6.0039","0.0003","8.1627","0.0004","90","","90","","90","","942.68","0.08","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-(3-aminophenyl)phenol","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0519","0.0378","","","0.093","0.1","","","","","","1.033","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114386","5.918","0.0012","19.213","0.004","9.651","0.0019","90","","101.25","0.03","90","","1076.3","0.4","12","1","12","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-aminobenzyl)phenol","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","neutron","","neutron","","0.0793","0.0791","","","0.223","0.2231","","","","","","1.081","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114387","5.982","0.0003","19.367","0.0009","9.739","0.0004","90","","100.86","0.002","90","","1108.09","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-aminobenzyl)phenol","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0599","0.0449","","","0.1049","0.1131","","","","","","1.03","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114388","13.682","0.003","5.2619","0.0011","8.1916","0.0016","90","","107.28","0.03","90","","563.1","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-(4-aminophenethyl)phenol","","- C14 H15 N O -","- C14 H15 N O -","- C28 H30 N2 O2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0448","0.0405","","","0.1087","0.1137","","","","","","1.034","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114389","23.937","0.0007","6.216","0.0002","8.397","0.0003","90","","90","","90","","1249.41","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-[3-(4-aminophenyl)propyl]phenol","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.051","0.0389","","","0.0856","0.0918","","","","","","1.016","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114390","15.7888","0.0016","5.2088","0.0006","8.3399","0.0008","90","","100.912","0.005","90","","673.48","0.12","105","2","105","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[4-(4-aminophenyl)butyl]phenol","","- C16 H19 N O -","- C16 H19 N O -","- C32 H38 N2 O2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0615","0.0418","","","0.0921","0.1038","","","","","","1.03","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114391","14.9554","0.0009","11.237","0.0008","8.6841","0.0006","90","","90.893","0.003","90","","1459.22","0.17","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[5-(4-aminophenyl)pentyl]phenol","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","2","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0418","0.0355","","","0.0885","0.0938","","","","","","1.033","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114392","9.8597","0.0003","10.0879","0.0003","21.8081","0.0007","90","","102.809","0.001","90","","2115.13","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-aminophenylsulfamyl)phenol","","- C12 H11 N O S -","- C12 H11 N O S -","- C96 H88 N8 O8 S8 -","8","2","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0611","0.0437","","","0.117","0.1275","","","","","","1.041","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114393","13.844","0.003","5.1626","0.001","8.2485","0.0016","90","","107.22","0.03","90","","563.1","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-(4-aminobenzylsulfamyl)phenol","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","1.54178","CuKα","","0.0497","0.0435","","","0.117","0.1259","","","","","","1.095","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114394","13.7422","0.0012","5.1725","0.0004","8.3055","0.0007","90","","105.548","0.004","90","","568.76","0.08","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-(4-aminophenylsulfamylmethyl)phenol","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0533","0.0402","","","0.0841","0.0882","","","","","","1.021","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114395","10.4321","0.0012","8.1179","0.0011","14.791","0.002","90","","109.633","0.006","90","","1179.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-aminophenyldisulfamyl)phenol","","- C12 H11 N O S2 -","- C12 H11 N O S2 -","- C48 H44 N4 O4 S8 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0417","0.0348","","","0.0836","0.0871","","","","","","1.078","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114396","12.6341","0.0009","5.8636","0.0004","8.5671","0.0005","90","","90.351","0.003","90","","634.65","0.07","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-[2-(4-aminophenylsulfamyl)ethyl]phenol","","- C14 H15 N O S -","- C14 H15 N O S -","- C28 H30 N2 O2 S2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0337","0.0322","","","0.0822","0.0835","","","","","","1.055","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114397","12.951","0.008","5.226","0.003","8.046","0.003","90","","98.12","0.03","90","","539.1","0.5","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[(E)-2-(4-aminophenyl)-1-ethenyl]phenol","","- C14 H13 N O -","- C14 H13 N O -","- C28 H26 N2 O2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0554","0.0392","","","0.0996","0.1122","","","","","","1.045","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114398","22.4911","0.0011","5.4647","0.0002","8.0466","0.0004","90","","95.674","0.002","90","","984.14","0.08","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-(4-aminophenoxy)phenol","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0332","0.0329","","","0.0863","0.0866","","","","","","1.047","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114399","7.981","0.0007","17.469","0.002","14.626","0.001","90","","104.344","0.001","90","","1975.6","0.3","123.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O Zr -","- C21 H29 N O Zr -","- C84 H116 N4 O4 Zr4 -","4","1","","Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman","Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes","Journal of the American Chemical Society","2003","125","","14276","14277","10.1021/ja037267t","","","0.7107","MoKα","","","0.04","","","","0.0468","","","","","","1.398","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114400","9.88","0.001","24.145","0.003","8.214","0.001","90","","108.288","0.002","90","","1860.5","0.4","143.2","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H29 N O Zr -","- C21 H29 N O Zr -","- C84 H116 N4 O4 Zr4 -","4","1","","Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman","Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes","Journal of the American Chemical Society","2003","125","","14276","14277","10.1021/ja037267t","","","0.7107","MoKα","","","0.0387","","","","0.0431","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114401","8.599","0.013","40.63","0.04","8.717","0.014","90","","108.85","0.04","90","","2882","7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 N O Zr -","- C36 H41 N O Zr -","- C144 H164 N4 O4 Zr4 -","4","1","","Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman","Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes","Journal of the American Chemical Society","2003","125","","14276","14277","10.1021/ja037267t","","","0.8856","synchrotron","","0.0457","0.0338","","","0.0747","0.077","","","","","","1.345","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114402","10.504","0.001","10.981","0.001","16.801","0.002","98.244","0.002","104.656","0.002","93.355","0.001","1846.4","0.3","118.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 N O Zr -","- C48 H51 N O Zr -","- C96 H102 N2 O2 Zr2 -","2","1","","Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman","Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes","Journal of the American Chemical Society","2003","125","","14276","14277","10.1021/ja037267t","","","0.7107","MoKα","","","0.0532","","","","0.0617","","","","","","1.422","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114403","23.291","0.005","13.814","0.003","23.758","0.005","90","","103.965","0.003","90","","7418","3","173.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H107 K O10 Ta2 -","- C76 H108 K2 O10 Ta2 -","- C304 H432 K8 O40 Ta8 -","4","0.5","","Hiroyuki Kawaguchi; Tsukasa Matsuo","Aryl-Oxygen Bond Cleavage by a Trihydride-Bridging Ditantalum Complex","Journal of the American Chemical Society","2003","125","","14254","14255","10.1021/ja037551k","","","0.7107","MoKα","","","0.029","","","","0.07","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114404","12.48","0.003","12.884","0.003","24.519","0.006","81.175","0.005","82.109","0.006","86.36","0.005","3855.3","1.6","293.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H111 Li O8 Ta2 -","- C83 H97 Li O8 Ta2 -","- C166 H194 Li2 O16 Ta4 -","2","1","","Hiroyuki Kawaguchi; Tsukasa Matsuo","Aryl-Oxygen Bond Cleavage by a Trihydride-Bridging Ditantalum Complex","Journal of the American Chemical Society","2003","125","","14254","14255","10.1021/ja037551k","","","0.7107","MoKα","","","0.032","","","","0.075","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114405","17.773","0.003","17.833","0.005","17.925","0.004","88.551","0.01","64.739","0.007","83.902","0.01","5108","2","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H139 K O15.5 Ta2 -","- C94 H123 K2 O15.5 Ta2 -","- C188 H246 K4 O31 Ta4 -","2","1","","Hiroyuki Kawaguchi; Tsukasa Matsuo","Aryl-Oxygen Bond Cleavage by a Trihydride-Bridging Ditantalum Complex","Journal of the American Chemical Society","2003","125","","14254","14255","10.1021/ja037551k","","","0.7107","MoKα","","","0.054","","","","0.137","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114406","11.341","0.005","12.419","0.006","28.25","0.011","87.84","0.02","79.62","0.02","84.042","0.013","3892","3","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H95 Li O7 Ta2 -","- C72 H95 Li O7 Ta2 -","- C144 H190 Li2 O14 Ta4 -","2","1","","Hiroyuki Kawaguchi; Tsukasa Matsuo","Aryl-Oxygen Bond Cleavage by a Trihydride-Bridging Ditantalum Complex","Journal of the American Chemical Society","2003","125","","14254","14255","10.1021/ja037551k","","","0.7107","MoKα","","","0.065","","","","0.185","","","","","","1.057","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114407","9.651","0.0004","10.32","0.0004","10.886","0.0004","86.489","0.002","86.233","0.002","83.437","0.0017","1073.21","0.07","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","2","","Mikio Sasaki; Andrei K. Yudin","Oxidative Cycloamination of Olefins with Aziridines as a Versatile Route to Saturated Nitrogen-Containing Heterocycles","Journal of the American Chemical Society","2003","125","","14242","14243","10.1021/ja037726q","","","0.71073","MoKα","","0.0908","0.0493","","","0.1245","0.1463","","","","","","1.004","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114408","15.29","0.0009","15.29","0.0009","6.905","0.0003","90","","90","","120","","1398.01","0.13","145","2","145","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Ag6 Fe3 N24 O2 -","- C48 H24 Ag6 Fe3 N24 O2 -","- C48 H24 Ag6 Fe3 N24 O2 -","1","0.166667","","Ana Galet; Virginie Niel; M. Carmen Muñoz; José A. Real","Synergy between Spin Crossover and Metallophilicity in Triple Interpenetrated 3D Nets with the NbO Structure Type","Journal of the American Chemical Society","2003","125","","14224","14225","10.1021/ja0377347","","","0.71073","MoKα","","0.0637","0.0333","","","0.0629","0.0693","","","","","","0.961","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114409","15.707","0.0009","15.707","0.0009","7.204","0.0003","90","","90","","120","","1539.19","0.14","240","2","240","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Ag6 Fe3 N24 O2 -","- C48 Ag6 Fe3 N24 O2 -","- C48 Ag6 Fe3 N24 O2 -","1","0.166667","","Ana Galet; Virginie Niel; M. Carmen Muñoz; José A. Real","Synergy between Spin Crossover and Metallophilicity in Triple Interpenetrated 3D Nets with the NbO Structure Type","Journal of the American Chemical Society","2003","125","","14224","14225","10.1021/ja0377347","","","0.71073","MoKα","","0.1382","0.0879","","","0.2393","0.2725","","","","","","1.017","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114410","16.0199","0.0018","11.1848","0.0013","12.1863","0.0014","90","","102.917","0.002","90","","2128.3","0.4","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C21 H30 Ir N O4 -","- C21 H30 Ir N O4 -","- C84 H120 Ir4 N4 O16 -","4","0.5","","Antek G. Wong-Foy; Gaurav Bhalla; Xiang Yang Liu; Roy A. Periana","Alkane C-H Activation and Catalysis by an O-Donor Ligated Iridium Complex","Journal of the American Chemical Society","2003","125","","14292","14293","10.1021/ja037849a","","","0.71073","MoKα","","0.0471","0.0382","","","0.0719","0.074","","","","","","1.244","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114411","7.2589","0.0004","10.2403","0.0005","13.9655","0.0007","74.568","0.001","85.452","0.001","74.785","0.001","965.55","0.09","193","2","193","2","","","","","","","","3","P -1","-P 1","2","frowh01","12a","","- C21 H26 O6 -","- C21 H26 O6 -","- C42 H52 O12 -","2","1","","Wei He; Xiufeng Sun; Alison J. Frontier","Polarizing the Nazarov Cyclization: Efficient Catalysis under Mild Conditions","Journal of the American Chemical Society","2003","125","","14278","14279","10.1021/ja037910b","","","0.71073","MoKα","","0.0495","0.0407","","","0.103","0.1085","","","","","","1.041","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114412","10.1639","0.0019","12.296","0.002","14.944","0.003","90","","109.88","0.01","90","","1756.3","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frowh02","4a","","- C19 H22 O7 -","- C19 H22 O7 -","- C76 H88 O28 -","4","1","","Wei He; Xiufeng Sun; Alison J. Frontier","Polarizing the Nazarov Cyclization: Efficient Catalysis under Mild Conditions","Journal of the American Chemical Society","2003","125","","14278","14279","10.1021/ja037910b","","","0.71073","MoKα","","0.0515","0.04","","","0.0974","0.1032","","","","","","1.034","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114413","11.608","0.002","11.884","0.002","14.13","0.003","98.34","0.03","103.13","0.03","105.27","0.03","1787.2","0.8","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Cl Ir N O2 P -","- C44 H42 Cl Ir N O2 P -","- C88 H84 Cl2 Ir2 N2 O4 P2 -","2","1","","Christoph A. Kiener; Chutian Shu; Christopher Incarvito; John F. Hartwig","Identification of an Activated Catalyst in the Iridium-Catalyzed Allylic Amination and Etherification. Increased Rates, Scope, and Selectivity","Journal of the American Chemical Society","2003","125","","14272","14273","10.1021/ja038319h","","","0.71073","MoKα","","0.0456","0.0335","","","0.0775","0.083","","","","","","1.112","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114414","10.15","0.002","19.125","0.004","20.818","0.004","90","","90","","90","","4041.2","1.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 Ir N O2 P2 -","- C47 H50 Ir N O2 P2 -","- C188 H200 Ir4 N4 O8 P8 -","4","1","","Christoph A. Kiener; Chutian Shu; Christopher Incarvito; John F. Hartwig","Identification of an Activated Catalyst in the Iridium-Catalyzed Allylic Amination and Etherification. Increased Rates, Scope, and Selectivity","Journal of the American Chemical Society","2003","125","","14272","14273","10.1021/ja038319h","","","0.71073","MoKα","","0.0542","0.0371","","","0.0685","0.074","","","","","","1.003","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114415","11.1747","0.001","16.058","0.0015","18.4175","0.0017","80.469","0.003","81.481","0.003","70.212","0.002","3051.7","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H82 Cl2 Fe Mg0.5 N6 O29.5 -","- C41 H82 Cl2 Fe Mg0.5 N6 O31 -","- C82 H164 Cl4 Fe2 Mg N12 O62 -","2","1","","Suraj Dhungana; Peter S. White; Alvin L. Crumbliss","Crystal and Molecular Structures of Ionophore-Siderophore Host-Guest Supramolecular Assemblies Relevant to Molecular Recognition","Journal of the American Chemical Society","2003","125","","14760","14767","10.1021/ja035778+","","","0.71073","MolybdenumKα","","0.127","0.07","","0.105","0.082","","","","","1.67","1.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114416","20.1473","0.0013","21.5778","0.0015","14.8013","0.001","90","","94.586","0.002","90","","6414","0.7","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.67 H84.5 Cl2 Fe Mg0.5 N6 O26.5 -","- C47 H87 Cl2 Fe Mg0.5 N6 O31 -","- C188 H348 Cl8 Fe4 Mg2 N24 O124 -","4","1","","Suraj Dhungana; Peter S. White; Alvin L. Crumbliss","Crystal and Molecular Structures of Ionophore-Siderophore Host-Guest Supramolecular Assemblies Relevant to Molecular Recognition","Journal of the American Chemical Society","2003","125","","14760","14767","10.1021/ja035778+","","","0.71073","MolybdenumKα","","0.188","0.085","","0.114","0.096","","","","","2.41","2.41","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114417","19.8327","0.0011","20.4111","0.0011","15.1698","0.0008","90","","96.435","0.001","90","","6102.2","0.6","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H85 Cl2 Fe Mg0.5 N6 O28.5 -","- C39 H88 Cl2 Fe Mg0.5 N6 O29 -","- C156 H352 Cl8 Fe4 Mg2 N24 O116 -","4","1","","Suraj Dhungana; Peter S. White; Alvin L. Crumbliss","Crystal and Molecular Structures of Ionophore-Siderophore Host-Guest Supramolecular Assemblies Relevant to Molecular Recognition","Journal of the American Chemical Society","2003","125","","14760","14767","10.1021/ja035778+","","","0.71073","MolybdenumKα","","0.125","0.071","","0.091","0.086","","","","","2.48","2.48","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114418","11.7693","0.0009","17.6598","0.0014","18.4591","0.0015","90","","90","","90","","3836.6","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H63 Lu N2 O2 Si4 -","- C29 H63 Lu N2 O2 Si4 -","- C116 H252 Lu4 N8 O8 Si16 -","4","1","","Sukwon Hong; Shun Tian; Matthew V. Metz; Tobin J. Marks","C2-Symmetric Bis(oxazolinato)lanthanide Catalysts for Enantioselective Intramolecular Hydroamination/Cyclization","Journal of the American Chemical Society","2003","125","","14768","14783","10.1021/ja0364672","","","0.71073","MoKα","","0.0428","0.0286","","","0.0588","0.0624","","","","","","0.954","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114419","9.489","0.0019","9.5687","0.0019","11.685","0.002","84.38","0.03","78.94","0.03","83.32","0.03","1031.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 N2 O2 S2 Zn -","- C26 H16 N2 O2 S2 Zn -","- C52 H32 N4 O4 S4 Zn2 -","2","1","","Gui Yu; Shiwei Yin; Yunqi Liu; Zhigang Shuai; Daoben Zhu","Structures, Electronic States, and Electroluminescent Properties of a Zinc(II) 2-(2-Hydroxyphenyl)benzothiazolate Complex","Journal of the American Chemical Society","2003","125","","14816","14824","10.1021/ja0371505","","","0.71073","MoKα","","0.0635","0.0566","","","0.1452","0.1491","","","","","","1.072","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114420","9.5159","0.0005","9.5888","0.0006","11.7126","0.0009","84.229","0.0018","79.011","0.005","83.538","0.0011","1039.03","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 N2 O2 S2 Zn -","- C26 H16 N2 O2 S2 Zn -","- C52 H32 N4 O4 S4 Zn2 -","2","1","","Gui Yu; Shiwei Yin; Yunqi Liu; Zhigang Shuai; Daoben Zhu","Structures, Electronic States, and Electroluminescent Properties of a Zinc(II) 2-(2-Hydroxyphenyl)benzothiazolate Complex","Journal of the American Chemical Society","2003","125","","14816","14824","10.1021/ja0371505","","","0.71073","MoKα","","0.0421","0.0296","","","0.0698","0.0722","","","","","","0.944","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114421","7.1731","0.0001","9.5405","0.0001","27.2413","0.0004","90","","90","","90","","1864.26","0.04","173","2","173","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C6 H22 B18 Co Cs -","- C6 H22 B18 Co Cs -","- C24 H88 B72 Co4 Cs4 -","4","1","","Isabel Rojo; Francesc Teixidor; Raikko Kivekäs; Reijo Sillanpää; Clara Viñas","Formation of Bridging Alkene and Conjugated Dialkenes Exclusively Generated from Alkynes on the [3,3'-Co(1,2-C~2~B~9~H~11~)~2~]^-^ Platform. The Unique Hydroboration Role of [3,3'-Co(1,2-C~2~B~9~H~11~)~2~]^-^","Journal of the American Chemical Society","2003","125","","14720","14721","10.1021/ja037279e","","x-ray","0.71073","MoKα","","0.041","0.0297","","","0.0569","0.0603","","","","","","1.027","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114422","24.302","0.003","6.9786","0.0008","9.7306","0.0011","90","","91.644","0.002","90","","1649.6","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.0649","0.0485","","","0.1294","0.1426","","","","","","1.019","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114423","24.461","0.003","5.3473","0.0007","17.869","0.003","90","","110.651","0.003","90","","2187.1","0.5","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.1093","0.0717","","","0.144","0.1616","","","","","","0.948","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114424","5.2065","0.0016","8.686","0.003","22.676","0.007","89.9","0.007","89.899","0.006","75.109","0.006","991","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","2","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.109","0.0673","","","0.152","0.1683","","","","","","1.003","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114425","5.1213","0.0006","9.2198","0.0011","25.2","0.003","90","","92.314","0.003","90","","1188.9","0.2","193","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.0611","0.0438","","","0.0969","0.1027","","","","","","1.023","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114426","5.7519","0.0005","23.9349","0.0019","8.0206","0.0006","90","","103.744","0.002","90","","1072.59","0.15","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.0546","0.0473","","","0.1291","0.1337","","","","","","1.06","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114427","14.8687","0.0013","7.1875","0.0007","33.273","0.003","90","","99.748","0.002","90","","3504.5","0.6","193","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N4 O5 -","- C18 H22 N4 O5 -","- C144 H176 N32 O40 -","8","1","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.0578","0.0417","","","0.1005","0.1147","","","","","","1.005","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114428","8.9176","0.0008","7.0349","0.0006","17.8156","0.0015","90","","104.347","0.002","90","","1082.79","0.16","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Brian H. White; Marc L. Snapper","Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds","Journal of the American Chemical Society","2003","125","","14901","14904","10.1021/ja037656n","","","0.71073","MoKα","","0.0509","0.0448","","","0.1247","0.1289","","","","","","1.07","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114429","11.2135","0.0004","11.7384","0.0005","19.3086","0.0008","72.61","0.001","89.354","0.001","62.433","0.001","2125.66","0.15","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H15 B2 Cl F24 -","- C49 H15 B2 Cl F24 -","- C98 H30 B4 Cl2 F48 -","2","1","","Stewart P. Lewis; Nicholas J. Taylor; Warren E. Piers; Scott Collins","Isobutene Polymerization Using a Chelating Diborane Co-Initiator","Journal of the American Chemical Society","2003","125","","14686","14687","10.1021/ja037725y","","","0.71073","MoKα","","0.0569","0.0468","","","0.0744","0.076","","","","","","1.593","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114430","8.9774","0.0009","9.571","0.002","15.452","0.003","94.17","0.01","92.33","0.02","113.752","0.008","1208.4","0.4","173.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cr O3 Sn -","- C28 H22 Cr O3 Sn -","- C56 H44 Cr2 O6 Sn2 -","2","1","","Ilya D. Gridnev; Oleg L. Tok","""Electronic Lock"" in Chromiumtricarbonyl Complex of Cycloheptatrienyltin","Journal of the American Chemical Society","2003","125","","14700","14701","10.1021/ja0379621","","","0.7107","MoKα","","","0.0303","","","","0.0734","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114431","11.6505","0.0007","14.1206","0.0007","27.095","0.002","90","","91.227","0.002","90","","4456.4","0.5","123.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C57 H60 O2 -","- C57 H60 O2 -","- C228 H240 O8 -","4","0.5","","Eri Iwamoto; Katsuyuki Hirai; Hideo Tomioka","A Triplet Carbene Surviving a Week in Solution at Room Temperature","Journal of the American Chemical Society","2003","125","","14664","14665","10.1021/ja038423z","","","0.7107","MoKα","","","0.077","","","","0.121","","","","","","1.117","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114432","13.816","0.007","11.634","0.006","8.886","0.004","90","","90","","90","","1428.3","1.2","203","2","203","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 F6 O3 S Ti -","- C12 H10 F6 O3 S Ti -","- C48 H40 F24 O12 S4 Ti4 -","4","0.5","","Felicia L. Taw; Brian L. Scott; Jaqueline L. Kiplinger","Early Transition-Metal Perfluoroalkyl Complexes","Journal of the American Chemical Society","2003","125","","14712","14713","10.1021/ja038527+","","","0.71073","MoKα","","0.0648","0.061","","","0.1369","0.138","","","","","","2.05","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114433","7.78","0.003","16.761","0.006","16.121","0.006","90","","93.788","0.006","90","","2097.6","1.4","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F4 Ti -","- C11 H10 F4 Ti -","- C88 H80 F32 Ti8 -","8","2","","Felicia L. Taw; Brian L. Scott; Jaqueline L. Kiplinger","Early Transition-Metal Perfluoroalkyl Complexes","Journal of the American Chemical Society","2003","125","","14712","14713","10.1021/ja038527+","","","0.71073","MoKα","","0.0417","0.0373","","","0.0995","0.1007","","","","","","1.818","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114434","17.001","0.004","23.958","0.005","7.6869","0.0016","90","","90","","90","","3131","1.2","193","2","193","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H22 O2 S -","- C18 H22 O2 S -","- C144 H176 O16 S8 -","8","1","","Fredrik P. Marmsäter; Graham K. Murphy; F. G. West","Cyclooctanoid Ring Systems from Mixed Acetals via Heteroatom-Assisted [1,2]-Shift of Oxonium Ylides","Journal of the American Chemical Society","2003","125","","14724","14725","10.1021/ja0387249","","","0.71073","MoKα","","0.1321","0.0727","","","0.1433","0.1674","","","","","","1.056","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114435","12.6104","0.0014","16.2906","0.0019","17.927","0.002","90","","90","","90","","3682.8","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H26 O5 S -","- C20 H26 O5 S -","- C160 H208 O40 S8 -","8","1","","Fredrik P. Marmsäter; Graham K. Murphy; F. G. West","Cyclooctanoid Ring Systems from Mixed Acetals via Heteroatom-Assisted [1,2]-Shift of Oxonium Ylides","Journal of the American Chemical Society","2003","125","","14724","14725","10.1021/ja0387249","","","0.71073","MoKα","","0.067","0.0481","","","0.1064","0.1143","","","","","","1.057","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114436","7.2034","0.0008","9.7662","0.001","12.7749","0.0014","82.283","0.002","85.747","0.002","74.337","0.002","856.83","0.16","293","2","566","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 O2 Si2 -","- C42 H40 O2 Si2 -","- C42 H40 O2 Si2 -","1","0.5","","Cecilia H. Marzabadi; J. Edgar Anderson; Jorge Gonzalez-Outeirino; Piers R. J. Gaffney; Christopher G. H. White; Derek A. Tocher; Louis J. Todaro","Why Are Silyl Ethers Conformationally Different from Alkyl Ethers? Chair-Chair Conformational Equilibria in Silyloxycyclohexanes and Their Dependence on the Substituents on Silicon. The Wider Roles of Eclipsing, of 1,3-Repulsive Steric Interactions, and of Attractive Steric Interactions","Journal of the American Chemical Society","2003","125","","15163","15173","10.1021/ja035936x","","","0.71073","MoKα","","0.0675","0.0566","","","0.1852","0.2081","","","","","","0.855","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114437","42.404","0.007","9.581","0.003","26.311","0.005","90","","96.37","0.02","90","","10623","4","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 O2 Si2 -","- C42 H40 O2 Si2 -","- C504 H480 O24 Si24 -","12","3","","Cecilia H. Marzabadi; J. Edgar Anderson; Jorge Gonzalez-Outeirino; Piers R. J. Gaffney; Christopher G. H. White; Derek A. Tocher; Louis J. Todaro","Why Are Silyl Ethers Conformationally Different from Alkyl Ethers? Chair-Chair Conformational Equilibria in Silyloxycyclohexanes and Their Dependence on the Substituents on Silicon. The Wider Roles of Eclipsing, of 1,3-Repulsive Steric Interactions, and of Attractive Steric Interactions","Journal of the American Chemical Society","2003","125","","15163","15173","10.1021/ja035936x","","","0.71073","Mo-Kα","","0.331","0.073","","0.487","","0.08","","","","","","1.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114438","24.837","0.002","9.829","0.002","29.206","0.003","90","","96.53","0.08","90","","7084","2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 O2 Si2 -","- C42 H40 O2 Si2 -","- C336 H320 O16 Si16 -","8","2","","Cecilia H. Marzabadi; J. Edgar Anderson; Jorge Gonzalez-Outeirino; Piers R. J. Gaffney; Christopher G. H. White; Derek A. Tocher; Louis J. Todaro","Why Are Silyl Ethers Conformationally Different from Alkyl Ethers? Chair-Chair Conformational Equilibria in Silyloxycyclohexanes and Their Dependence on the Substituents on Silicon. The Wider Roles of Eclipsing, of 1,3-Repulsive Steric Interactions, and of Attractive Steric Interactions","Journal of the American Chemical Society","2003","125","","15163","15173","10.1021/ja035936x","","","0.71073","Mo-Kα","","0.165","0.049","","0.278","","0.05","","","8.907","","","1.51","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114439","9.3219","0.0004","21.8875","0.001","13.9573","0.0007","90","","100.853","0.001","90","","2796.8","0.2","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N4 O6 -","- C32 H32 N4 O6 -","- C128 H128 N16 O24 -","4","1","","Linda S. Shimizu; Andrew D. Hughes; Mark D. Smith; Matthew J. Davis; B. Paul Zhang; Hans-Conrad zur Loye; Ken D. Shimizu","Self-Assembled Nanotubes that Reversibly Bind Acetic Acid Guests","Journal of the American Chemical Society","2003","125","","14972","14973","10.1021/ja036515i","","","0.71073","MoKα","","0.0758","0.0652","","","0.1373","0.143","","","","","","1.02","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114440","10.0624","0.001","12.3645","0.0013","12.4164","0.0013","85.8","0.002","67.881","0.002","78.339","0.002","1401.6","0.3","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl12 D4 N6 O4 -","- C46 H54 Cl12 N6 O4 -","- C46 H54 Cl12 N6 O4 -","1","0.5","","Linda S. Shimizu; Andrew D. Hughes; Mark D. Smith; Matthew J. Davis; B. Paul Zhang; Hans-Conrad zur Loye; Ken D. Shimizu","Self-Assembled Nanotubes that Reversibly Bind Acetic Acid Guests","Journal of the American Chemical Society","2003","125","","14972","14973","10.1021/ja036515i","","","0.71073","MoKα","","0.0937","0.0595","","","0.1455","0.1604","","","","","","1.006","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114441","6.922","0.001","14.335","0.003","11.798","0.002","90","","98.85","0.002","90","","1156.7","0.4","120.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Yuko Otani; Osamu Nagae; Yuji Naruse; Satoshi Inagaki; Masashi Ohno; Kentaro Yamaguchi; Gaku Yamamoto; Masanobu Uchiyama; Tomohiko Ohwada","An Evaluation of Amide Group Planarity in 7-Azabicyclo[2.2.1]heptane Amides. Low Amide Bond Rotation Barrier in Solution","Journal of the American Chemical Society","2003","125","","15191","15199","10.1021/ja036644z","","","0.7107","MoKα","","","0.0476","","","","0.0639","","","","","","0.853","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114442","6.842","0.002","14.423","0.004","11.783","0.003","90","","99.761","0.004","90","","1145.9","0.5","163.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Yuko Otani; Osamu Nagae; Yuji Naruse; Satoshi Inagaki; Masashi Ohno; Kentaro Yamaguchi; Gaku Yamamoto; Masanobu Uchiyama; Tomohiko Ohwada","An Evaluation of Amide Group Planarity in 7-Azabicyclo[2.2.1]heptane Amides. Low Amide Bond Rotation Barrier in Solution","Journal of the American Chemical Society","2003","125","","15191","15199","10.1021/ja036644z","","","0.7107","MoKα","","","0.0455","","","","0.0714","","","","","","1.042","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114443","7.661","0.002","10.758","0.003","11.453","0.003","90","","90","","90","","943.9","0.4","163.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Yuko Otani; Osamu Nagae; Yuji Naruse; Satoshi Inagaki; Masashi Ohno; Kentaro Yamaguchi; Gaku Yamamoto; Masanobu Uchiyama; Tomohiko Ohwada","An Evaluation of Amide Group Planarity in 7-Azabicyclo[2.2.1]heptane Amides. Low Amide Bond Rotation Barrier in Solution","Journal of the American Chemical Society","2003","125","","15191","15199","10.1021/ja036644z","","","0.7107","MoKα","","","0.0545","","","","0.075","","","","","","0.725","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114444","10.093","0.002","10.011","0.002","11.451","0.003","90","","108.627","0.003","90","","1096.4","0.4","273.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl N O -","- C12 H14 Cl N O -","- C48 H56 Cl4 N4 O4 -","4","1","","Yuko Otani; Osamu Nagae; Yuji Naruse; Satoshi Inagaki; Masashi Ohno; Kentaro Yamaguchi; Gaku Yamamoto; Masanobu Uchiyama; Tomohiko Ohwada","An Evaluation of Amide Group Planarity in 7-Azabicyclo[2.2.1]heptane Amides. Low Amide Bond Rotation Barrier in Solution","Journal of the American Chemical Society","2003","125","","15191","15199","10.1021/ja036644z","","","0.7107","MoKα","","","0.0497","","","","0.0631","","","","","","0.647","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114445","13.002","0.003","6.553","0.001","13.755","0.003","90","","115.796","0.003","90","","1055.2","0.4","173.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Yuko Otani; Osamu Nagae; Yuji Naruse; Satoshi Inagaki; Masashi Ohno; Kentaro Yamaguchi; Gaku Yamamoto; Masanobu Uchiyama; Tomohiko Ohwada","An Evaluation of Amide Group Planarity in 7-Azabicyclo[2.2.1]heptane Amides. Low Amide Bond Rotation Barrier in Solution","Journal of the American Chemical Society","2003","125","","15191","15199","10.1021/ja036644z","","","0.7107","MoKα","","","0.0483","","","","0.0698","","","","","","0.674","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114446","10.144","0.001","15.382","0.002","13.469","0.002","90","","106.173","0.002","90","","2018.5","0.4","100","1","100","1","","","","","","","see text","2","P 1 21 1","P 2yb","4","","","","- C28 H24 -","- C28 H24 -","- C112 H96 -","4","2","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Increased Speed of Rotation for the Smallest Light-Driven Molecular Motor","Journal of the American Chemical Society","2003","125","","15076","15086","10.1021/ja036782o","","","0.71073","MoKα","","0.0923","0.0824","","","0.205","0.2161","","","","","","1.046","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114447","9.3938","0.0005","18.939","0.001","21.924","0.001","90","","90","","90","","3900.5","0.3","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C28 H24 -","- C28 H24 -","- C224 H192 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Increased Speed of Rotation for the Smallest Light-Driven Molecular Motor","Journal of the American Chemical Society","2003","125","","15076","15086","10.1021/ja036782o","","","0.71073","MoKα","","0.0504","0.0446","","","0.1123","0.1175","","","","","","1.029","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114448","15.3944","0.0006","8.4977","0.0003","32.326","0.001","90","","90.753","0.003","90","","4228.4","0.3","173.2","","173.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H35 N O Si W -","- C19 H35 N O Si W -","- C152 H280 N8 O8 Si8 W8 -","8","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.7107","MoKα","","0.0526","0.036","","0.1071","","0.1071","","","1.597","","","1.597","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114449","14.2207","0.0007","15.9939","0.0007","19.5926","0.0009","90","","90","","90","","4456.2","0.4","173.2","","173.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H35 N O W -","- C24 H35 N O W -","- C192 H280 N8 O8 W8 -","8","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.7107","MoKα","","0.0632","0.031","","0.0815","","0.038","","","0.801","","","0.801","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114450","12.8869","0.0003","9.0219","0.0003","16.7835","0.0007","90","","92.439","0.002","90","","1949.55","0.11","173.2","","173.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O W -","- C22 H3 N O W -","- C88 H12 N4 O4 W4 -","4","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.7107","MoKα","","0.0377","0.022","","0.066","","0.066","","","1.066","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114451","8.2431","0.0007","9.2094","0.0009","26.517","0.003","90","","90","","90","","2013","0.3","293","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O W -","- C21 H33 N O W -","- C84 H132 N4 O4 W4 -","4","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.71073","MoKα","","0.0297","0.0246","","","0.0474","0.0487","","","","","","0.882","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114452","14.8888","0.001","14.7065","0.0009","17.8503","0.0013","90","","90","","90","","3908.5","0.5","293","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H33 N O W -","- C21 H33 N O W -","- C168 H264 N8 O8 W8 -","8","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.71073","MoKα","","0.0456","0.0331","","","0.0803","0.0825","","","","","","0.888","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114453","9.1458","0.0005","13.65","0.0007","15.9576","0.0009","90","","98.724","0.003","90","","1969.1","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N O P W -","- C18 H32 N O P W -","- C72 H128 N4 O4 P4 W4 -","4","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.71073","MoKα","","0.0358","0.0281","","","0.0651","0.0668","","","","","","0.947","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114454","9.1734","0.0007","16.9621","0.0011","13.2647","0.001","90","","95.201","0.004","90","","2055.5","0.3","293","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 N O W -","- C21 H35 N O W -","- C84 H140 N4 O4 W4 -","4","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.71073","MoKα","","0.0378","0.0311","","","0.0727","0.0748","","","","","","0.983","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114455","25.27","0.006","5.0127","0.0012","15.667","0.004","90","","123.959","0.004","90","","1646.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Br2 O2 S -","- C6 H4 Br2 O2 S -","- C48 H32 Br16 O16 S8 -","8","2","","Hong Meng; Dmitrii F. Perepichka; Michael Bendikov; Fred Wudl; Grant Z. Pan; Wenjiang Yu; Wenjian Dong; Stuart Brown","Solid-State Synthesis of a Conducting Polythiophene via an Unprecedented Heterocyclic Coupling Reaction","Journal of the American Chemical Society","2003","125","","15151","15162","10.1021/ja037115y","","","0.71073","MoKα","","0.0479","0.046","","","0.1186","0.1196","","","","","","1.027","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114456","5.1098","0.0008","7.7988","0.0012","20.306","0.003","90","","93.751","0.003","90","","807.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Cl2 O2 S -","- C6 H4 Cl2 O2 S -","- C24 H16 Cl8 O8 S4 -","4","1","","Hong Meng; Dmitrii F. Perepichka; Michael Bendikov; Fred Wudl; Grant Z. Pan; Wenjiang Yu; Wenjian Dong; Stuart Brown","Solid-State Synthesis of a Conducting Polythiophene via an Unprecedented Heterocyclic Coupling Reaction","Journal of the American Chemical Society","2003","125","","15151","15162","10.1021/ja037115y","","","0.71073","MoKα","","0.0465","0.0351","","","0.0968","0.1038","","","","","","1.048","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114457","11.432","0.003","4.9022","0.0014","15.932","0.005","90","","96.396","0.006","90","","887.3","0.4","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 I2 O2 S -","- C6 H4 I2 O2 S -","- C24 H16 I8 O8 S4 -","4","1","","Hong Meng; Dmitrii F. Perepichka; Michael Bendikov; Fred Wudl; Grant Z. Pan; Wenjiang Yu; Wenjian Dong; Stuart Brown","Solid-State Synthesis of a Conducting Polythiophene via an Unprecedented Heterocyclic Coupling Reaction","Journal of the American Chemical Society","2003","125","","15151","15162","10.1021/ja037115y","","","0.71073","MoKα","","0.0321","0.0297","","","0.08","0.0811","","","","","","1.069","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114458","16.7419","0.0005","16.7419","0.0005","18.2494","0.0011","90","","90","","90","","5115.1","0.4","91","2","91","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H35 O6 Rb -","- C25 H35 O6 Rb -","- C200 H280 O48 Rb8 -","8","1","","Jacob S. Alexander; Damian G. Allis; Bruce S. Hudson; Karin Ruhlandt-Senge","An Examination of Metal-Ligand Binding Modes in Rubidium Diphenylmethanide","Journal of the American Chemical Society","2003","125","","15002","15003","10.1021/ja037201y","","","0.71073","MoKα","","0.0408","0.0314","","","0.0725","0.0774","","","","","","1.043","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114459","14.2054","0.0013","19.0969","0.0017","21.498","0.002","90","","90","","90","","5832","0.9","94","2","94","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C29 H43 O7 Rb -","- C29 H43 O7 Rb -","- C232 H344 O56 Rb8 -","8","1","","Jacob S. Alexander; Damian G. Allis; Bruce S. Hudson; Karin Ruhlandt-Senge","An Examination of Metal-Ligand Binding Modes in Rubidium Diphenylmethanide","Journal of the American Chemical Society","2003","125","","15002","15003","10.1021/ja037201y","","","0.71073","MoKα","","0.1385","0.1094","","","0.2212","0.2287","","","","","","1.249","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114460","13.818","0.002","21.595","0.009","21.928","0.008","90","","90","","90","","6543","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Aib-Val-Gly-Leu-Aib-Val-D-Ala-D-Leu-Aib-OMe","t-Butyloxycarbonyl-leucyl-(alpha-aminoisobutyryl)-valyl-glycyl-leucyl- (alpha-aminoisobutyryl)-valyl-D-alanyl-D-leucyl-(alpha-aminoisobutyryl) methyl ester monohydrate","","- C51 H94 N10 O14 -","- C51 H92 N10 O14 -","- C204 H368 N40 O56 -","4","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Abhishek Bandyopadhyay; Padmanabhan Balaram","Probing the Role of the C-H...O Hydrogen Bond Stabilized Polypeptide Chain Reversal at the C-terminus of Designed Peptide Helices. Structural Characterization of Three Decapeptides","Journal of the American Chemical Society","2003","125","","15065","15075","10.1021/ja0372762","","","1.5418","CuKα","","0.1853","0.1059","","","0.2367","0.3042","","","","","","1.13","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114461","25.115","0.004","25.115","0.004","43.709","0.01","90","","90","","90","","27570","9","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Boc-Leu-Aib-Val-D-Ala-Leu-Aib-Val-D-Ala-D-Leu-Aib-OMe","t-Butyloxycarbonyl-leucyl-(alpha-aminoisobutyryl)-valyl-D-alanyl-leucyl- (alpha-aminoisobutyryl)-valyl-D-alanyl-D-leucyl-(alpha-aminoisobutyryl) methyl ester trihydrate","","- C52 H97 N10 O14.5 -","- C52 H94 N10 O14.5 -","- C832 H1504 N160 O232 -","16","2","","Subrayashastry Aravinda; Narayanaswamy Shamala; Abhishek Bandyopadhyay; Padmanabhan Balaram","Probing the Role of the C-H...O Hydrogen Bond Stabilized Polypeptide Chain Reversal at the C-terminus of Designed Peptide Helices. Structural Characterization of Three Decapeptides","Journal of the American Chemical Society","2003","125","","15065","15075","10.1021/ja0372762","","","0.71073","MoKα","","0.3442","0.0699","","","0.1565","0.2334","","","","","","0.795","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114462","20.185","0.006","30.163","0.008","25.969","0.01","90","","90","","90","","15811","9","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","Boc-Leu-Aib-Val-Aib-Leu-Aib-Val-D-Ala-D-Leu-Aib-OMe","t-Butyloxycarbonyl-leucyl-(alpha-aminoisobutyryl)-valyl-(alpha-aminoisobutyryl) -leucyl-(alpha-aminoisobutyryl)-valyl-D-alanyl-D-leucyl-(alpha-aminoisobutyryl) methyl ester monohydrate","","- C53 H98 N10 O14 -","- C53 H96 N10 O14 -","- C424 H768 N80 O112 -","8","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Abhishek Bandyopadhyay; Padmanabhan Balaram","Probing the Role of the C-H...O Hydrogen Bond Stabilized Polypeptide Chain Reversal at the C-terminus of Designed Peptide Helices. Structural Characterization of Three Decapeptides","Journal of the American Chemical Society","2003","125","","15065","15075","10.1021/ja0372762","","","0.71073","MoKα","","0.2156","0.1064","","","0.1854","0.2346","","","","","","0.96","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114463","9.3928","0.0013","9.5527","0.0014","18.941","0.003","76.966","0.003","78.834","0.003","74.785","0.003","1581.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H46 N4 O5 -","- C31 H46 N4 O5 -","- C62 H92 N8 O10 -","2","1","","Xin Zhao; Xiao-Zhong Wang; Xi-Kui Jiang; Ying-Qi Chen; Zhan-Ting Li; Guang-Ju Chen","Hydrazide-Based Quadruply Hydrogen-Bonded Heterodimers. Structure, Assembling Selectivity, and Supramolecular Substitution","Journal of the American Chemical Society","2003","125","","15128","15139","10.1021/ja037312x","","","0.71073","MoKα","","0.2172","0.0629","","","0.1329","0.1676","","","","","","0.662","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114464","10.6131","0.0003","11.0639","0.0003","27.486","0.0007","90","","90","","90","","3227.47","0.15","100","2","100","2","","","","","","","","2","F m m m","-F 2 2","69","[2.2]paracyclophane-1-ene","tricyclo[8.2.2.2^4,7^]hexadeca-1(13),2,4(16),5,7(15),10(14),11-heptaene","","- C16 H14 -","- C16 H14 -","- C192 H168 -","12","0.375","","Armin de Meijere; Sergei I. Kozhushkov; Karsten Rauch; Heiko Schill; Sergey P. Verevkin; Martin Kümmerlin; Hans-Dieter Beckhaus; Christoph Rüchardt; Dmitrii S. Yufit","Heats of Formation of [2.2]Paracyclophane-1-ene and [2.2]Paracyclophane-1,9-diene - An Experimental Study","Journal of the American Chemical Society","2003","125","","15110","15113","10.1021/ja0374628","","","0.71073","MoKα","","0.0537","0.0419","","","0.112","0.1237","","","","","","1.07","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114465","10.7675","0.0008","11.155","0.0008","27.708","0.002","90","","90","","90","","3328","0.4","293","2","293","2","","","","","","","","2","F m m m","-F 2 2","69","[2.2]paracyclophane-1-ene","tricyclo[8.2.2.2^4,7^]hexadeca-1(13),2,4(16),5,7(15),10(14),11- heptaene","","- C16 H14 -","- C16 H14 -","- C192 H168 -","12","0.375","","Armin de Meijere; Sergei I. Kozhushkov; Karsten Rauch; Heiko Schill; Sergey P. Verevkin; Martin Kümmerlin; Hans-Dieter Beckhaus; Christoph Rüchardt; Dmitrii S. Yufit","Heats of Formation of [2.2]Paracyclophane-1-ene and [2.2]Paracyclophane-1,9-diene - An Experimental Study","Journal of the American Chemical Society","2003","125","","15110","15113","10.1021/ja0374628","","","0.71073","MoKα","","0.0812","0.0453","","","0.115","0.1401","","","","","","1.01","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114466","7.6638","0.0009","14.8667","0.0017","7.8149","0.0009","90","","90","","90","","890.39","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga0.5 Gd5 Ge3.5 -","- Ga0.52 Gd5 Ge3.52 -","- Ga2.08 Gd20 Ge14.08 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.05","0.0462","","","0.0986","0.1004","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114467","7.6195","0.0008","14.8375","0.0015","7.8162","0.0008","90","","90","","90","","883.66","0.16","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga0.7 Gd5 Ge3.3 -","- Ga0.7968 Gd5.69 Ge3.756 -","- Ga3.1872 Gd22.76 Ge15.024 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.0667","0.0651","","","0.169","0.17","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114468","7.6829","0.0018","14.811","0.004","7.7736","0.0018","90","","90","","90","","884.6","0.4","273","2","273","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.0515","0.0348","","","0.0632","0.0683","","","","","","1.021","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114469","7.524","0.006","14.826","0.011","7.828","0.006","90","","90","","90","","873.2","1.2","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga Gd5 Ge3 -","- Ga Gd5 Ge3 -","- Ga4 Gd20 Ge12 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.0717","0.0623","","","0.1502","0.1554","","","","","","1.149","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114470","7.5162","0.0007","14.9707","0.0014","7.9149","0.0007","90","","90","","90","","890.61","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga2 Gd5 Ge2 -","- Ga2 Gd5 Ge2 -","- Ga8 Gd20 Ge8 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.027","0.0232","","","0.0533","0.0544","","","","","","1.02","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114471","10.4487","0.0011","7.6652","0.0008","19.423","0.002","90","","101.093","0.002","90","","1526.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 O4 P -","- C17 H17 O4 P -","- C68 H68 O16 P4 -","4","1","","Ai-Yun Peng; Yi-Xiang Ding","The Synthesis of Phosphaisocoumarins by Cu(I)-Catalyzed Intramolecular Cyclization of o-Ethynylphenylphosphonic Acid Monoesters","Journal of the American Chemical Society","2003","125","","15006","15007","10.1021/ja038627f","","","0.71073","MoKα","","0.0647","0.0422","","","0.0886","0.0942","","","","","","0.893","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114472","8.0871","0.0004","8.2042","0.0004","20.635","0.001","90","","90","","90","","1369.09","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O5 S -","- C13 H17 N O5 S -","- C52 H68 N4 O20 S4 -","4","1","","Eric R. Ashley; Ernest G. Cruz; Brian M. Stoltz","The Total Synthesis of (-)-Lemonomycin","Journal of the American Chemical Society","2003","125","","15000","15001","10.1021/ja039223q","","","0.71073","MoKα","","0.0298","0.0288","","","0.059","0.0591","","","","","","2.819","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114473","11.907","0.002","13.42","0.002","14.819","0.003","66.875","0.002","69.845","0.003","75.856","0.003","2028","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 N3 O13 S2 -","- C41 H44 N3 O13 S2 -","- C82 H88 N6 O26 S4 -","2","1","","Eric R. Ashley; Ernest G. Cruz; Brian M. Stoltz","The Total Synthesis of (-)-Lemonomycin","Journal of the American Chemical Society","2003","125","","15000","15001","10.1021/ja039223q","","","0.71073","MoKα","","0.1543","0.0784","","","0.1558","0.1704","","","","","","1.605","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114474","13.8825","0.0007","8.8019","0.0004","13.4185","0.0007","90","","91.251","0.003","90","","1639.25","0.14","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C5 H13 B0.5 F2 Li0.5 N O -","- C5 H13 B0.5 F2 Li0.5 N O -","- C40 H104 B4 F16 Li4 N8 O8 -","8","1","","Antonio Ramírez; Emil Lobkovsky; David B. Collum","Hemilabile Ligands in Organolithium Chemistry: Substituent Effects on Lithium Ion Chelation","Journal of the American Chemical Society","2003","125","","15376","15387","10.1021/ja030322d","","","0.71073","MoKα","","0.0689","0.0523","","","0.1324","0.1418","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114475","7.8788","0.0002","13.4921","0.0003","12.9381","0.0003","90","","91.507","0.002","90","","1374.86","0.06","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 B F4 Li O6 -","- C8 H20 B F4 Li O4 -","- C32 H80 B4 F16 Li4 O16 -","4","1","","Antonio Ramírez; Emil Lobkovsky; David B. Collum","Hemilabile Ligands in Organolithium Chemistry: Substituent Effects on Lithium Ion Chelation","Journal of the American Chemical Society","2003","125","","15376","15387","10.1021/ja030322d","","","0.71073","MoKα","","0.0592","0.0467","","","0.1285","0.1366","","","","","","1.005","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114476","32.721","0.004","49.518","0.005","8.609","0.0008","90","","90","","90","","13949","3","100","2","100","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C24 H41 B F6 Fe2 N9.5 O5.25 P -","- C24 H39.5 B F6 Fe2 N9.5 O5.25 P -","- C384 H632 B16 F96 Fe32 N152 O84 P16 -","16","1","","Leonardo D. Slep; Ana Mijovilovich; Wolfram Meyer-Klaucke; Thomas Weyhermüller; Eckhard Bill; Eberhard Bothe; Frank Neese; Karl Wieghardt","Mixed-Valent {FeIV(μ-O)(μ-carboxylato)2FeIII}3+ Core","Journal of the American Chemical Society","2003","125","","15554","15570","10.1021/ja030377f","","","0.71073","MoKα","","0.0859","0.0541","","0.1165","0.1063","","","","1.034","1.107","1.107","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114477","18.0248","0.0006","9.6419","0.0001","14.8847","0.0005","90","","109.292","0.002","90","","2441.6","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N2 O3 P S -","- C25 H27 N2 O3 P S -","- C100 H108 N8 O12 P4 S4 -","4","1","","Paul B. Webb; Murielle F. Sellin; Thulani E. Kunene; Sylvia Williamson; Alexandra M. Z. Slawin; David J. Cole-Hamilton","Continuous Flow Hydroformylation of Alkenes in Supercritical Fluid-Ionic Liquid Biphasic Systems","Journal of the American Chemical Society","2003","125","","15577","15588","10.1021/ja035967s","","","0.71073","MoKα","","0.0655","0.0433","","","0.1036","0.1153","","","","","","1.014","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114478","20.779","0.001","8.2761","0.0005","16.4341","0.0009","90","","90","","90","","2826.2","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H32 N4 P4 -","- C28 H32 N4 P4 -","- C112 H128 N16 P16 -","4","0.5","","June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson","Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers","Journal of the American Chemical Society","2003","125","","15537","15542","10.1021/ja0374168","","","0.71073","MoKα","","0.046","0.036","","","0.096","0.101","","","","","","1.03","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114479","13.3078","0.0006","15.5628","0.0007","14.3446","0.0007","90","","105.967","0.004","90","","2856.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 P4 -","- C28 H32 N4 P4 -","- C112 H128 N16 P16 -","4","1","","June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson","Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers","Journal of the American Chemical Society","2003","125","","15537","15542","10.1021/ja0374168","","","0.71073","MoKα","","0.058","0.041","","","0.104","0.111","","","","","","1.01","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114480","13.738","0.001","10.766","0.001","19.522","0.002","90","","90","","90","","2887.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N4 P4 -","- C28 H32 N4 P4 -","- C112 H128 N16 P16 -","4","0.5","","June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson","Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers","Journal of the American Chemical Society","2003","125","","15537","15542","10.1021/ja0374168","","","0.71073","MoKα","","0.056","0.041","","","0.102","0.109","","","","","","1.03","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114481","9.2385","0.0008","10.6957","0.0008","16.462","0.001","82.353","0.006","84.901","0.007","65.694","0.006","1468.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 P4 -","- C28 H32 N4 P4 -","- C56 H64 N8 P8 -","2","1","","June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson","Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers","Journal of the American Chemical Society","2003","125","","15537","15542","10.1021/ja0374168","","","0.71073","MoKα","","0.063","0.043","","","0.108","0.116","","","","","","1.04","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114482","13.176","0.0003","13.4661","0.0003","23.1766","0.0005","91.591","0.001","91.104","0.001","104.474","0.001","3978.7","0.15","159","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H60 N6 Os P3 Re5 Se8 -","- C78 H57 N6 Os1.02 P3 Re4.98 Se8 -","- C156 H114 N12 Os2.04 P6 Re9.96 Se16 -","2","1","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.0732","0.0408","","0.0946","0.0878","","","","0.903","1.075","1.075","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114483","12.1936","0.0004","19.5516","0.0005","27.723","0.0003","90","","102.688","0.001","90","","6447.9","0.3","131","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H46 N7 O Os2 P2 Re4 Se8 -","- C59 H20 N7 O Os1.98 P2 Re4.02 Se8 -","- C236 H80 N28 O4 Os7.92 P8 Re16.08 Se32 -","4","0.5","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.0954","0.0469","","0.1124","0.0997","","","","0.916","1.084","1.084","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114484","15.1987","0.0011","20.0425","0.0003","15.5439","0.0009","90","","113.895","0.005","90","","4329.1","0.4","150","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C54 H108 N9 Na Os Re5 Se8 -","- C38 H72 N8 Na Os1.02 Re4.98 Se8 -","- C76 H144 N16 Na2 Os2.04 Re9.96 Se16 -","2","0.25","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.1868","0.0869","","0.2763","0.2163","","","","1.014","1.18","1.18","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114485","11.9445","0.0002","19.895","0.0003","14.012","","90","","95.281","0.001","90","","3315.62","0.07","130","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H50 Co N6 Os2 P2 Re4 Se8 -","- C64 H50 Co N6 Os1.98 P2 Re4.02 Se8 -","- C128 H100 Co2 N12 Os3.96 P4 Re8.04 Se16 -","2","0.5","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.0567","0.0436","","0.1078","0.1028","","","","1.019","1.102","1.102","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114486","27.1909","0.0004","27.1909","0.0004","27.1909","0.0004","90","","90","","90","","20103.5","0.5","158","2","293","2","","","","","","","","10","P a -3","-P 2ac 2ab 3","205","","","","- C87 H180 Cu6 F27 N30 O27 Os2 Re4 S9 Se8 -","- C115 H221.94 Cu6 F30 N44 O27 Os1.02 Re4.98 S9 Se8 -","- C460 H887.76 Cu24 F120 N176 O108 Os4.08 Re19.92 S36 Se32 -","4","0.166667","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.2343","0.0628","","0.2503","0.1696","","","","1.31","1.554","1.554","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114487","27.2115","0.0002","27.2115","0.0002","27.2115","0.0002","90","","90","","90","","20149.2","0.3","132","2","293","2","","","","","","","","10","P a -3","-P 2ac 2ab 3","205","","","","- C115 H222 Cu6 F27 N44 O27 Os2 Re4 S9 Se8 -","- C115 H221.94 Cu6 F27 N44 O27 Os1.98 Re4.02 S9 Se8 -","- C460 H887.76 Cu24 F108 N176 O108 Os7.92 Re16.08 S36 Se32 -","4","0.166667","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.11","0.0593","","0.1686","0.1442","","","","1.546","1.787","1.787","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114488","9.622","0.0008","9.968","0.0011","18.557","0.003","81.019","0.008","81.772","0.008","69.642","0.006","1640.6","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","UWFIV224-compound 8b","","","- C35 H54 N2 Pt -","- C35 H54 N2 Pt -","- C70 H108 N4 Pt2 -","2","1","","Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg","β-Diiminate Platinum Complexes for Alkane Dehydrogenation","Journal of the American Chemical Society","2003","125","","15286","15287","10.1021/ja037781z","","","0.71073","MoKα","","0.0731","0.0597","","","0.1335","0.1415","","","","1.01","1.01","1.01","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114489","12.865","0.003","14.483","0.003","16.875","0.004","108.424","0.003","91.425","0.004","108.159","0.003","2807.8","1.1","118","2","118","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H41 N2 O2 -","- C32 H40.5 N2 O2 -","- C128 H162 N8 O8 -","4","2","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.1045","0.0742","","","0.206","0.2282","","","","","","1.033","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114490","6.1904","0.0011","12.73","0.003","17.528","0.004","85.858","0.008","80.307","0.008","83.199","0.009","1350","0.5","158","2","158","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","- C60 H88 N4 O4 -","2","1","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.1252","0.0544","","","0.1127","0.1303","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114491","15.034","0.002","8.4086","0.0011","19.42","0.003","90","","94.592","0.005","90","","2447.1","0.6","158","2","158","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C112 H144 N8 O8 -","4","1","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.1185","0.0584","","","0.133","0.1642","","","","","","0.983","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114492","12.087","0.005","19.74","0.009","23.655","0.01","90","","90","","90","","5644","4","158","2","158","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H34 N2 O2 -","- C33 H34 N2 O2 -","- C264 H272 N16 O16 -","8","1","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.101","0.0718","","","0.1737","0.1896","","","","","","0.966","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114493","6.2971","0.0005","11.9668","0.001","17.4475","0.0012","100.563","0.003","96.732","0.003","94.661","0.003","1276.46","0.17","25","5","25","5","","","","","","","","4","P -1","-P 1","2","","","","- C31 H40 N2 O2 -","- C31 H40 N2 O2 -","- C62 H80 N4 O4 -","2","1","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.1031","0.0948","","","0.2259","0.2323","","","","","","1.249","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114494","9.9303","0.0005","8.5039","0.0004","22.03","0.001","90","","98.922","0.002","90","","1837.84","0.15","296.2","","296.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.0684","0.042","","0.0896","","","","","0.964","","","0.964","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114495","12.534","0.002","12.674","0.002","14.546","0.002","90","","101.975","0.005","90","","2260.4","0.6","296.2","","296.2","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 -","- C31 H28 -","- C124 H112 -","4","0.5","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","","0.0551","","","","0.1398","","","","","","1.205","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114496","10.4024","0.0005","19.7052","0.0006","29.916","0.001","90","","92.6521","0.0006","90","","6125.7","0.4","296.2","","296.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C87 H68 -","- C83.31 H68 -","- C333.24 H272 -","4","1","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.0971","0.066","","0.1446","","","","","1.305","","","1.305","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114497","13.2214","0.0003","13.3664","0.0002","19.0154","0.0001","90","","92.523","0.001","90","","3357.19","0.09","296.2","","296.2","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 -","- C46 H40 -","- C184 H160 -","4","1","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.0817","0.053","","0.0847","","","","","1.283","","","1.283","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114498","12.8765","0.0004","15.4623","0.0002","12.7814","0.0002","107.723","0.001","94.605","0.002","96.765","0.001","2388.91","0.09","296.2","","296.2","","","","","","","","","2","P -1","-P 1","2","","","","- C67 H56 -","- C67 H56 -","- C134 H112 -","2","1","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.0982","0.075","","0.1181","","","","","2.003","","","2.003","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114499","16.6849","0.0005","12.2332","0.0005","15.4247","0.0005","90","","110.519","0.0008","90","","2948.6","0.18","296.2","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 -","- C41 H32 -","- C164 H128 -","4","0.5","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","","0.0576","","","","0.14","","","","","","1.231","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114500","11.5072","0.0005","22.102","0.001","27.047","0.002","90","","89.836","0.001","90","","6878.9","0.7","296.2","","296.2","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C83 H62 -","- C83 H62 -","- C332 H248 -","4","1","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.355","0.143","","0.3409","","","","","1.741","","","1.741","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114501","8.6145","0.0002","8.8525","0.0001","18.0214","0.0002","90","","90","","90","","1374.31","0.04","100","","100","","","","","","","","see paper","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Christophe Aïssa; Ricardo Riveiros; Jacques Ragot; Alois Fürstner","Total Syntheses of Amphidinolide T1, T3, T4, and T5","Journal of the American Chemical Society","2003","125","","15512","15520","10.1021/ja038216z","","","0.71073","MoKα","","0.0257","0.0252","","","0.075","0.0756","","","","","","1.162","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114502","23.947","0.006","23.947","0.006","9.953","0.005","90","","90","","90","","5708","4","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H52 Ce Mn8 N0 O40 -","- C24 H36 Ce Mn8 O40 -","- C96 H144 Ce4 Mn32 O160 -","4","0.5","","Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Brian Moulton; Michael J. Zaworotko; George Christou","Template Synthesis and Single-Molecule Magnetism Properties of a Complex with Spin S=16 and a [Mn8O8]8+ Saddle-Like Core","Journal of the American Chemical Society","2003","125","","15274","15275","10.1021/ja0385134","","","0.71073","MoKα","","0.1496","0.0899","","","0.2163","0.245","","","","","","1.033","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114503","11.4887","0.0004","5.9506","0.0002","22.0286","0.0007","90","","93.419","0.002","90","","1503.3","0.09","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 O6 S2 -","- C32 H36 N2 O6 S2 -","- C64 H72 N4 O12 S4 -","2","0.5","","Jik Chin; Fabrizio Mancin; Nirusha Thavarajah; Donghyung Lee; Alan Lough; Doo Soo Chung","Controlling Diaza-Cope Rearrangement Reactions with Resonance-Assisted Hydrogen Bonds","Journal of the American Chemical Society","2003","125","","15276","15277","10.1021/ja0387554","","","0.71073","MoKα","","0.0717","0.0489","","","0.1171","0.1312","","","","","","1.023","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114504","12.573","0.0006","6.674","0.0003","14.677","0.001","90","","101.278","0.0018","90","","1207.8","0.11","150","1","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C60 H56 N4 O8 -","2","0.5","","Jik Chin; Fabrizio Mancin; Nirusha Thavarajah; Donghyung Lee; Alan Lough; Doo Soo Chung","Controlling Diaza-Cope Rearrangement Reactions with Resonance-Assisted Hydrogen Bonds","Journal of the American Chemical Society","2003","125","","15276","15277","10.1021/ja0387554","","","0.71073","MoKα","","0.0616","0.0428","","","0.1062","0.1179","","","","","","1.025","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114505","6.766","0.0003","10.2215","0.0004","11.6018","0.0006","108.69","0.002","101.93","0.002","95.511","0.002","732.15","0.06","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 Cl3 N2 O5 -","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","1","0.5","","Jik Chin; Fabrizio Mancin; Nirusha Thavarajah; Donghyung Lee; Alan Lough; Doo Soo Chung","Controlling Diaza-Cope Rearrangement Reactions with Resonance-Assisted Hydrogen Bonds","Journal of the American Chemical Society","2003","125","","15276","15277","10.1021/ja0387554","","","0.71073","MoKα","","0.1139","0.0852","","","0.2136","0.2328","","","","","","1.043","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114506","10.295","0.009","17.76","0.01","12.43","0.01","90","","92.31","0.03","90","","2271","3","93.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 B2 Br2 F14 O6 -","- C38 H50 B2 Br2 F14 O6 -","- C76 H100 B4 Br4 F28 O12 -","2","0.5","","Masahito Ochiai; Yoshio Nishi; Satoru Goto; Motoo Shiro; Hermann J. Frohn","Synthesis, Structure, and Reaction of 1-Alkynyl(aryl)-λ3-bromanes","Journal of the American Chemical Society","2003","125","","15304","15305","10.1021/ja038777q","","","0.7107","MoKα","","","0.0479","","","","0.0991","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114507","16.3629","0.0009","15.273","0.001","15.5365","0.0007","90","","103.475","0.004","90","","3775.9","0.4","296.2","","296.2","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C55 H40 -","- C55.832 H40 -","- C223.328 H160 -","4","0.5","","Tamaki Nakano; Tohru Yade","Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer","Journal of the American Chemical Society","2003","125","","15474","15484","10.1021/ja037836x","","","0.7107","MoKα","","0.0597","0.042","","0.0777","","","","","1.401","","","1.401","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114508","12.8602","0.0015","22.101","0.003","13.791","0.0016","90","","107.936","0.002","90","","3729.2","0.8","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{1-methylimidazole}octaethyltetraphenylporphinato Iron(III) chloride","","- C76 H86 Cl7 Fe N8 -","- C76 H86 Cl7 Fe N8 -","- C152 H172 Cl14 Fe2 N16 -","2","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.0754","0.0563","","","0.1338","0.1445","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114509","19.8263","0.0017","19.8263","0.0017","15.23","0.003","90","","90","","90","","5986.6","1.4","170","2","170","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[FeTC~6~TPP(1-MeIm)~2~]Cl","","","- C70 H68 Cl5 Fe N8 -","- C70 H68 Cl5 Fe N8 -","- C280 H272 Cl20 Fe4 N32 -","4","0.25","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.1219","0.0565","","","0.1459","0.1731","","","","","","0.925","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114510","21.766","0.005","22.069","0.005","17.816","0.004","90","","127.096","0.003","90","","6826","3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Fe(III)OETPP","bis{4-(N,N-dymethyl)aminopyridine}octamethyltetraphenylporphinato Iron(III) chloride","","- C70 H72 Cl9 Fe N8 -","- C70 H72 Cl9 Fe N8 -","- C280 H288 Cl36 Fe4 N32 -","4","0.5","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.0725","0.0535","","","0.1404","0.1606","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4114511","15.9507","0.0013","23.2709","0.0019","19.5217","0.0016","90","","94.396","0.002","90","","7224.9","1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Iron(III) chloride","bis{4-(N,N-dymethyl)aminopyridine}octamethyltetraphenylporphinato Iron(III) chloride","","- C70 H68 Cl13 Fe N8 -","- C70 H68 Cl13 Fe N8 -","- C280 H272 Cl52 Fe4 N32 -","4","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.1504","0.0739","","","0.1882","0.2456","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4114512","14.078","0.0014","26.71","0.003","17.2488","0.0018","90","","96.765","0.002","90","","6440.8","1.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[FeOMTPP(2-MeHIm)2]Cl","bis{2-methylimidazole}octamethyltetraphenylporphyrinato Iron(III) chloride","","- C68 H70 Cl7 Fe N8 -","- C67.996 H70 Cl7 Fe N8 -","- C271.984 H280 Cl28 Fe4 N32 -","4","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.1997","0.0759","","","0.1558","0.1895","","","","","","0.93","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4114513","13.8","0.006","15.151","0.007","16.566","0.008","66.513","0.014","71.841","0.013","88.719","0.012","2998","2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","[FeOMTPP(2-MeHIm)2]Cl","bis{2-methylimidazole}octamethyltetraphenylporphyrinato Iron(III) chloride","","- C63 H62 Cl7 Fe N8 -","- C63 H62 Cl7 Fe N8 -","- C126 H124 Cl14 Fe2 N16 -","2","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.1555","0.0806","","","0.1621","0.1897","","","","","","1.024","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114514","13.8856","0.001","10.1279","0.0007","18.5327","0.0013","90","","95.925","0.002","90","","2592.4","0.3","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","[Fe(III)OMTPP(1-MeIm)2]Cl","bis{1-methylimidazole}octamethyltetraphenylporphinato Iron(III) chloride","","- C61 H58 Cl3 Fe N8 -","- C60.999 H58 Cl2.998 Fe N8 -","- C121.998 H116 Cl5.996 Fe2 N16 -","2","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.069","0.0505","","","0.12","0.1331","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4114515","26.153","0.002","26.153","0.002","26.153","0.002","90","","90","","90","","17888","2","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","[Fe(III)OMTPP(1-MeIm)2]Cl","bis{1-methylimidazole}octamethyltetraphenylporphinato Iron(III) chloride","","- C62.67 H58.67 Cl9 Fe N8 -","- C62.6667 H58.6667 Cl9 Fe N8 -","- C752 H704 Cl108 Fe12 N96 -","12","0.25","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.149","0.0989","","","0.245","0.3047","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4114516","31.558","0.018","5.377","0.005","7.943","0.005","90","","93.216","0.019","90","","1345.7","1.7","100","1","100","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","C6BP","4-n-hexylbiphenyl","","- C18 H22 -","- C18 H22 -","- C72 H88 -","4","1","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.5594","synchrotron","","0.19","0.1527","","","0.3604","0.3801","","","","","","1.071","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114517","7.6689","0.0016","7.9238","0.0016","38.321","0.008","90","","92.893","0.003","90","","2325.7","0.8","293","2","173","2","","","","","","","D. Plaut, Prof. M. Ward","5","P 1 21/c 1","-P 2ybc","14","guanidinium_4'-decylbiphenyl-4-sulfonate","","","- C23 H35 N3 O3 S -","- C23 H35 N3 O3 S -","- C92 H140 N12 O12 S4 -","4","1","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.71073","MoKα","","0.1538","0.111","","","0.2138","0.2307","","","","","","1.095","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114518","11.902","0.003","7.5617","0.0016","34.13","0.007","90","","94.679","0.005","90","","3061.4","1.2","293","2","173","2","","","","","","","D. Plaut, Prof. M. Ward","5","P 1 21/n 1","-P 2yn","14","guanidinium_4'-methylbiphenyl-4-sulfonate","","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C112 H136 N24 O24 S8 -","8","2","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.71073","MoKα","","0.0955","0.058","","","0.1899","0.2052","","","","","","1.096","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114519","12.18","0.004","7.25","0.002","17.807","0.005","90","","100.204","0.006","90","","1547.6","0.8","173","2","173","2","","","","","","","D. Plaut, Prof. M. Ward","5","P 1 21 1","P 2yb","4","guanidinium_4'-ethylbiphenyl-4-sulfonate","","","- C15 H19 N3 O3 S -","- C15 H19 N3 O3 S -","- C60 H76 N12 O12 S4 -","4","2","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.71073","MoKα","","0.0943","0.0594","","","0.142","0.1652","","","","","","1.032","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114520","7.4862","0.0011","7.6555","0.0012","33.449","0.005","90","","90","","90","","1917","0.5","173","2","173","2","","","","","","","D. Plaut, Prof. M. Ward","5","P 21 21 21","P 2ac 2ab","19","guanidinium_4'-hexylbiphenyl-4-sulfonate","","","- C19 H27 N3 O3 S -","- C19 H27 N3 O3 S -","- C76 H108 N12 O12 S4 -","4","1","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.71073","MoKα","","0.0507","0.042","","","0.1112","0.1152","","","","","","1.105","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114521","23.4553","0.0002","7.9746","0.0001","17.2053","0.0002","90","","90","","90","","3218.19","0.06","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H19 B7 Co P -","- C13 H19 B7 Co P -","- C104 H152 B56 Co8 P8 -","8","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0398","0.0373","","0.0889","0.0873","","","","1.187","1.191","1.191","","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114522","12.5579","0.0001","15.6169","0.0002","12.6071","0.0001","90","","90","","90","","2472.45","0.04","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H16 B7 P -","- C8 H16 B7 P -","- C64 H128 B56 P8 -","8","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.074","0.0685","","0.1548","0.1519","","","","1.316","1.333","1.333","","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114523","13.0466","0.0002","10.5141","0.0002","17.7492","0.0002","90","","90.271","0.001","90","","2434.69","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 B14 Ni P2 -","- C16 H28 B14 Ni P2 -","- C64 H112 B56 Ni4 P8 -","4","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0379","0.0361","","0.0909","0.0897","","","","1.09","1.097","1.097","","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114524","12.952","0.0003","18.3819","0.0004","11.2556","0.0003","92.702","0.002","114.316","0.001","81.214","0.002","2413.01","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H53 B7 P3 Pt -","- C53 H53 B7 P3 Pt -","- C106 H106 B14 P6 Pt2 -","2","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0527","0.0499","","0.1425","0.1372","","","","1.113","1.103","1.103","","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114525","15.5744","0.0003","18.336","0.0003","11.3806","0.0002","102.285","0.001","109.983","0.001","78.59","0.001","2956.54","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H67 B28 Br4 P4 Pt2 -","- C35 H67 B28 Br4 P4 Pt2 -","- C70 H134 B56 Br8 P8 Pt4 -","2","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0614","0.055","","0.1476","0.1407","","","","1.13","1.134","1.134","","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114526","11.028","0.0002","11.0406","0.0003","10.7862","0.0002","107.62","0.001","91.338","0.002","95.646","0.001","1243.64","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 B7 P -","- C8 H16 B7 P -","- C32 H64 B28 P4 -","4","2","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0553","0.0485","","0.1123","0.108","","","","1.102","1.122","1.122","","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114527","8.6297","0.0009","8.549","0.001","19.16","0.002","90","","92.1","0.005","90","","1412.6","0.3","143","1","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 B14 Br2 P2 Pd -","- C16 H32 B14 Br2 P2 Pd -","- C32 H64 B28 Br4 P4 Pd2 -","2","0.5","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0888","0.0845","","0.2309","0.2253","","","","1.231","1.235","1.235","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114528","19.711","0.004","15.137","0.003","20.493","0.004","90","","90.084","0.004","90","","6114","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H78 N3 O3 U -","- C63 H102 N3 O3 U -","- C252 H408 N12 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Hidetaka Nakai; Peter Gantzel; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Evidence for Alkane Coordination to an Electron-Rich Uranium Center","Journal of the American Chemical Society","2003","125","","15734","15735","10.1021/ja0379316","","","0.71073","MoKα","","0.096","0.0611","","","0.1383","0.1471","","","","","","0.933","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114529","19.429","0.003","14.987","0.003","20.48","0.004","90","","90","0.003","90","","5963.4","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H98 N3 O3 U -","- C61 H98 N3 O3 U -","- C244 H392 N12 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Hidetaka Nakai; Peter Gantzel; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Evidence for Alkane Coordination to an Electron-Rich Uranium Center","Journal of the American Chemical Society","2003","125","","15734","15735","10.1021/ja0379316","","","0.71073","MoKα","","0.0666","0.0511","","","0.1292","0.1375","","","","","","1.039","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114530","19.879","0.007","15.325","0.005","20.458","0.007","90","","92.102","0.01","90","","6228","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H106 N3 O3 U -","- C65 H106 N3 O3 U -","- C260 H424 N12 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Hidetaka Nakai; Peter Gantzel; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Evidence for Alkane Coordination to an Electron-Rich Uranium Center","Journal of the American Chemical Society","2003","125","","15734","15735","10.1021/ja0379316","","","0.71073","MoKα","","0.0678","0.0482","","","0.1037","0.1078","","","","","","0.978","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114531","19.575","0.007","15.215","0.006","20.418","0.008","90","","90.666","0.006","90","","6081","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H102 N3 O3 U -","- C63 H102 N3 O3 U -","- C252 H408 N12 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Hidetaka Nakai; Peter Gantzel; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Evidence for Alkane Coordination to an Electron-Rich Uranium Center","Journal of the American Chemical Society","2003","125","","15734","15735","10.1021/ja0379316","","","0.71073","MoKα","","0.1236","0.067","","","0.1512","0.1778","","","","","","1.101","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114532","19.423","0.003","15.1148","0.0019","20.453","0.003","90","","90.117","0.002","90","","6004.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H102 N3 O3 U -","- C62 H102 N3 O3 U -","- C248 H408 N12 O12 U4 -","4","1","","Ingrid Castro-Rodriguez; Hidetaka Nakai; Peter Gantzel; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Evidence for Alkane Coordination to an Electron-Rich Uranium Center","Journal of the American Chemical Society","2003","125","","15734","15735","10.1021/ja0379316","","","0.71073","MoKα","","0.0933","0.0551","","","0.1069","0.1193","","","","","","1.022","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114533","24.13","0.002","12.2104","0.0011","26.171","0.003","90","","111.584","0.002","90","","7170.2","1.2","193","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H54 Fe N2 -","- C35 H54 Fe N2 -","- C280 H432 Fe8 N16 -","8","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.1386","0.1219","","","0.2192","0.2251","","","","","","1.426","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114534","12.4878","0.0007","18.2203","0.0011","19.649","0.0011","90","","107.997","0.001","90","","4252","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holjs71","","","- C44 H67 Fe N3 -","- C44 H67 Fe N3 -","- C176 H268 Fe4 N12 -","4","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.0696","0.0489","","","0.1221","0.1319","","","","","","1.027","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114535","9.9128","0.0007","12.612","0.0009","16.8887","0.0012","96.477","0.001","96.767","0.001","112.794","0.001","1903.8","0.2","193","2","293","2","","","","","","","","4","P -1","-P 1","2","holjs58","","","- C41 H64 Fe N2 -","- C41 H64 Fe N2 -","- C82 H128 Fe2 N4 -","2","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.0811","0.0647","","","0.1755","0.1836","","","","","","1.07","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114536","9.6905","0.0006","23.7816","0.0013","44.5","0.003","90","","90","","90","","10255.3","1.1","193","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","holjs77","","","- C47 H64 Fe N4 -","- C47 H64 Fe N4 -","- C376 H512 Fe8 N32 -","8","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.0838","0.0497","","","0.1451","0.1541","","","","","","1.075","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114537","17.434","0.0013","12.2322","0.0009","18.0994","0.0013","90","","90","","90","","3859.8","0.5","193","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","holjs95","","","- C41 H59 Fe N3 -","- C41 H59 Fe N3 -","- C164 H236 Fe4 N12 -","4","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.051","0.04","","","0.0806","0.084","","","","","","1.045","","","","has coordinates,has disorder","301833","2025-08-20","15:22:57",""
"4114538","9.381","0.0019","10.029","0.002","14.374","0.003","108.53","0.03","93.02","0.03","98.31","0.03","1261.7","0.5","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H37 Au N O2 P -","- C26 H37 Au N O2 P -","- C52 H74 Au2 N2 O4 P2 -","2","1","","Wei Lu; Nianyong Zhu; Chi-Ming Che","Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics","Journal of the American Chemical Society","2003","125","","16081","16088","10.1021/ja0382415","","","0.71073","MoKα","","0.0408","0.0294","","","0.0661","0.0925","","","","","","0.932","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114539","12.258","0.003","16.59","0.003","12.55","0.003","90","","96.68","0.03","90","","2534.8","1","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Au N O2 P -","- C26 H37 Au N O2 P -","- C104 H148 Au4 N4 O8 P4 -","4","1","","Wei Lu; Nianyong Zhu; Chi-Ming Che","Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics","Journal of the American Chemical Society","2003","125","","16081","16088","10.1021/ja0382415","","","0.71069","MoKα","","0.0362","0.0269","","","0.0786","0.0919","","","","","","1.091","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114540","12.316","0.003","16.415","0.003","12.889","0.003","90","","98.54","0.03","90","","2576.8","1","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Au F3 P -","- C27 H37 Au F3 P -","- C108 H148 Au4 F12 P4 -","4","1","","Wei Lu; Nianyong Zhu; Chi-Ming Che","Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics","Journal of the American Chemical Society","2003","125","","16081","16088","10.1021/ja0382415","","","0.71069","MoKα","","0.0399","0.0313","","","0.0928","0.1037","","","","","","1.113","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114541","11.573","0.002","8.533","0.002","14.077","0.003","90","","106.87","0.03","90","","1330.3","0.5","253","2","253","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 Au F5 P -","- C26 H33 Au F5 P -","- C52 H66 Au2 F10 P2 -","2","1","","Wei Lu; Nianyong Zhu; Chi-Ming Che","Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics","Journal of the American Chemical Society","2003","125","","16081","16088","10.1021/ja0382415","","","0.71069","MoKα","","0.0431","0.0384","","","0.1021","0.1044","","","","","","1.034","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114542","8.611","0.002","18.466","0.004","14.184","0.003","90","","91.28","0.03","90","","2254.8","0.9","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Au N O2 P -","- C26 H19 Au N O2 P -","- C104 H76 Au4 N4 O8 P4 -","4","1","","Wei Lu; Nianyong Zhu; Chi-Ming Che","Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics","Journal of the American Chemical Society","2003","125","","16081","16088","10.1021/ja0382415","","","0.71069","MoKα","","0.0452","0.0281","","","0.0774","0.0968","","","","","","0.993","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114543","16.861","0.007","18.234","0.007","22.424","0.009","88.76","0.007","82.064","0.008","78.03","0.007","6679","5","100.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C137 H165 Cl9 N10 O6 Zn2 -","- C138 H150 Cl9 N10 O5 Zn2 -","- C276 H300 Cl18 N20 O10 Zn4 -","2","1","","Akihiko Tsuda; Shigeru Sakamoto; Kentaro Yamaguchi; Takuzo Aida","A Novel Supramolecular Multicolor Thermometer by Self-Assembly of a π-Extended Zinc Porphyrin Complex","Journal of the American Chemical Society","2003","125","","15722","15723","10.1021/ja038349k","","","0.7107","MoKα","","","0.1259","","","","0.1559","","","","","","2.276","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114544","10.64","0.0007","27.0071","0.0018","14.7614","0.001","90","","98.643","0.002","90","","4193.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H18.5 F20 N4 O1.5 -","- C49.5 H15.5 F20 N4 O1.5 -","- C198 H62 F80 N16 O6 -","4","1","","Hiromitsu Maeda; Atsuhiro Osuka; Hiroyuki Furuta","Trans Doubly N-Confused Porphyrins: Cu(III) Complexation and Formation of Rodlike Hydrogen-Bonding Networks","Journal of the American Chemical Society","2003","125","","15690","15691","10.1021/ja038519t","","","0.71073","MoKα","","0.1373","0.0985","","","0.2998","0.3362","","","","","","1.271","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114545","12.9802","0.001","22.8224","0.0017","17.0361","0.0013","90","","91.195","0.002","90","","5045.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H28 Cl3 Cu F20 N4 O -","- C54 H28 Cl3 Cu F20 N4 O -","- C216 H112 Cl12 Cu4 F80 N16 O4 -","4","1","","Hiromitsu Maeda; Atsuhiro Osuka; Hiroyuki Furuta","Trans Doubly N-Confused Porphyrins: Cu(III) Complexation and Formation of Rodlike Hydrogen-Bonding Networks","Journal of the American Chemical Society","2003","125","","15690","15691","10.1021/ja038519t","","","0.71073","MoKα","","0.1256","0.0792","","","0.2228","0.2433","","","","","","0.968","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114546","24.726","0.005","11.706","0.002","26.129","0.005","90","","106.53","0.03","90","","7250","3","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H100 B2 Cl6 F8 Ir2 N2 O4 P4 -","- C56 H100 B2 Cl6 F8 Ir2 N2 O4 P4 -","- C224 H400 B8 Cl24 F32 Ir8 N8 O16 P16 -","4","1","","Arkadi Vigalok; Boris Rybtchinski; Yael Gozin; Tehila S. Koblenz; Yehoshoa Ben-David; Haim Rozenberg; David Milstein","Metal-Stabilized Phenoxonium Cation","Journal of the American Chemical Society","2003","125","","15692","15693","10.1021/ja0385639","","","0.71073","MoKα","","0.0577","0.0357","","","0.0613","0.0656","","","","","","1.031","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114547","22.2394","0.0011","22.9564","0.0009","24.6976","0.0013","90","","92.002","0.006","90","","12601.3","1","200","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H113 Cr F18 N25 Nd O22 S6 -","- C113 H111 Cr F18 N25 Nd O22 S6 -","- C452 H444 Cr4 F72 N100 Nd4 O88 S24 -","4","1","","Daniel Imbert; Martine Cantuel; Jean-Claude G. Bünzli; Gérald Bernardinelli; Claude Piguet","Extending Lifetimes of Lanthanide-Based Near-Infrared Emitters (Nd, Yb) in the Millisecond Range through Cr(III) Sensitization in Discrete Bimetallic Edifices","Journal of the American Chemical Society","2003","125","","15698","15699","10.1021/ja0386501","","","0.71073","MoKα","","","0.047","","","","0.046","","","","","","1.172","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114548","22.2714","0.001","22.8851","0.0012","24.3983","0.0011","90","","92.156","0.005","90","","12426.6","1","200","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H111 Cr F18 N25 O21 S6 Yb -","- C113 H111 Cr F18 N25 O21 S6 Yb -","- C452 H444 Cr4 F72 N100 O84 S24 Yb4 -","4","1","","Daniel Imbert; Martine Cantuel; Jean-Claude G. Bünzli; Gérald Bernardinelli; Claude Piguet","Extending Lifetimes of Lanthanide-Based Near-Infrared Emitters (Nd, Yb) in the Millisecond Range through Cr(III) Sensitization in Discrete Bimetallic Edifices","Journal of the American Chemical Society","2003","125","","15698","15699","10.1021/ja0386501","","","0.71073","MoKα","","","0.038","","","","0.037","","","","","","1.11","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114549","11.515","0.001","12.746","0.001","13.022","0.001","79.635","0.001","76.811","0.001","89.147","0.001","1829.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H7 Cl4 N O2 S4 -","- C14 H7 Cl4 N O2 S4 -","- C56 H28 Cl16 N4 O8 S16 -","4","2","","Clifton Kwang-Fu Shen; Hieu M. Duong; Gursel Sonmez; Fred Wudl","Novel Reversible Ionic-to-Covalent Transition in a Highly Conducting TTF Derivative","Journal of the American Chemical Society","2003","125","","16206","16207","10.1021/ja037621n","","","0.71073","MoKα","","0.0268","0.0225","","","0.0567","0.0586","","","","","","1.032","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114550","15.0005","0.0001","15.0005","0.0001","21.8165","0.0002","90","","90","","120","","4251.35","0.06","160","1","160","1","","","","","","","","4","P 32 2 1","P 32 2""","154","","(3S,4R)-1-(3-aza-4-carboxy-4-methyl-2-oxopentyl)-3-benzyl-3- tert-butoxicarbonylamino-4-isobutylazetidin-2-one","","- C25 H37 N3 O6 -","- C25 H37 N3 O6 -","- C150 H222 N18 O36 -","6","1","","Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden","Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin","Journal of the American Chemical Society","2003","125","","16243","16260","10.1021/ja038180a","","","0.71073","MoKα","","0.0512","0.0368","","","0.0865","0.0939","","","","","","1.049","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4114551","14.356","0.002","16.93","0.002","12.862","0.002","90","","90","","90","","3126.1","0.7","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-isobutyl-3-[(4S)-4-phenyl-2- oxo-1,3-oxazolidin-3-yl]-azetidin-2-one","","- C30 H44 N2 O3 Si2 -","- C30 H44 N2 O3 Si2 -","- C120 H176 N8 O12 Si8 -","4","1","","Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden","Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin","Journal of the American Chemical Society","2003","125","","16243","16260","10.1021/ja038180a","","","0.71073","MoKα","","0.0536","0.0373","","0.0345","0.0331","0.0331","","","1.731","","","1.662","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114552","9.939","0.002","9.16","0.002","12.154","0.002","90","","103.05","0.01","90","","1077.9","0.4","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R)-1-amidomethyl-3-isobutyl-3-[(2S)-1-(tert-butoxycarbonyl)- pyrrolidin-2-yl-carbonylamino]azetidin-2-one","","- C19 H32 N4 O5 -","- C19 H32 N4 O5 -","- C38 H64 N8 O10 -","2","1","","Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden","Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin","Journal of the American Chemical Society","2003","125","","16243","16260","10.1021/ja038180a","","","0.71073","MoKα","","0.067","0.044","","0.0416","0.0392","0.0392","","","1.538","","","1.614","","","","has coordinates","301833","2025-08-20","15:22:57",""
"4114553","7.6036","0.0005","9.6014","0.0006","11.8554","0.0006","113.88","0.01","95.08","0.01","95.04","0.01","781","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 Ni O6 -","- C16 H16 N2 Ni O6 -","- C32 H32 N4 Ni2 O12 -","2","1","","Ming-Liang Tong; Xiao-Ming Chen; Stuart R. Batten","A New Self-Penetrating Uniform Net, (8,4) (or 86), Containing Planar Four-Coordinate Nodes","Journal of the American Chemical Society","2003","125","","16170","16171","10.1021/ja0383266","","","0.71073","MoKα","","0.0465","0.0444","","","0.1221","0.1237","","","","","","1.04","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114554","16.784","0.005","5.4457","0.0018","17.862","0.006","90","","105.987","0.005","90","","1569.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 Ni O6 -","- C16 H16 N2 Ni O6 -","- C64 H64 N8 Ni4 O24 -","4","1","","Ming-Liang Tong; Xiao-Ming Chen; Stuart R. Batten","A New Self-Penetrating Uniform Net, (8,4) (or 86), Containing Planar Four-Coordinate Nodes","Journal of the American Chemical Society","2003","125","","16170","16171","10.1021/ja0383266","","","0.71073","MoKα","","0.0474","0.0419","","","0.104","0.109","","","","","","1.084","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114555","8.6927","0.0005","12.2929","0.0007","12.4232","0.0007","97.835","0.001","93.948","0.001","102.181","0.001","1278.97","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H43 B3 O2 Ru2 -","- C24 H43 B3 O2 Ru2 -","- C48 H86 B6 O4 Ru4 -","2","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework","Journal of the American Chemical Society","2003","125","","16367","16382","10.1021/ja038444t","","","0.71073","MoKα","","0.0234","0.0215","","","0.0542","0.0553","","","","","","1.034","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114556","10.9258","0.0007","16.0455","0.0011","16.0955","0.0011","89.775","0.001","88.893","0.001","74.149","0.001","2713.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H41 B3 O4 Ru2 -","- C24 H41 B3 O4 Ru2 -","- C96 H164 B12 O16 Ru8 -","4","2","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework","Journal of the American Chemical Society","2003","125","","16367","16382","10.1021/ja038444t","","","0.71073","MoKα","","0.0644","0.0427","","","0.0949","0.1035","","","","","","1.029","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114557","8.576","0.0004","10.5548","0.0005","18.5784","0.0009","73.699","0.001","83.985","0.001","66.936","0.001","1485.03","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H47 B3 O4 Ru2 -","- C28 H47 B3 O4 Ru2 -","- C56 H94 B6 O8 Ru4 -","2","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework","Journal of the American Chemical Society","2003","125","","16367","16382","10.1021/ja038444t","","","0.71073","MoKα","","0.0518","0.0441","","","0.0959","0.0999","","","","","","1.068","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114558","8.799","0.0004","13.0672","0.0006","15.6891","0.0007","101.362","0.001","100.442","0.001","101.297","0.001","1688.34","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 B3 O6 Ru2 -","- C32 H51 B3 O6 Ru2 -","- C64 H102 B6 O12 Ru4 -","2","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework","Journal of the American Chemical Society","2003","125","","16367","16382","10.1021/ja038444t","","","0.71073","MoKα","","0.025","0.0231","","","0.0591","0.0602","","","","","","1.064","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114559","8.3722","0.0004","19.8606","0.0008","15.1043","0.0006","90","","95.638","0.001","90","","2499.35","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 B2 O Ru2 -","- C24 H42 B2 O Ru2 -","- C96 H168 B8 O4 Ru8 -","4","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework","Journal of the American Chemical Society","2003","125","","16367","16382","10.1021/ja038444t","","","0.71073","MoKα","","0.0278","0.0269","","","0.0644","0.0649","","","","","","1.162","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114560","16.688","0.003","16.688","0.003","16.208","0.004","90","","90","","120","","3909","1.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C54 H70 Ag2 N8 O6 -","- C54 H52 Ag2 N8 O6 -","- C162 H156 Ag6 N24 O18 -","3","1","","Yong Cui; Chuan He","Efficient Aziridination of Olefins Catalyzed by a Unique Disilver(I) Compound","Journal of the American Chemical Society","2003","125","","16202","16203","10.1021/ja038668b","","","0.71073","MoKα","","0.0908","0.0854","","","0.2274","0.2331","","","","","","1.05","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114561","16.194","0.003","14.666","0.003","30.836","0.005","90","","104.752","0.003","90","","7082","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H93 Ag2 F6 N6 O10 S2 -","- C67 H91 Ag2 F6 N6 O10 S2 -","- C268 H364 Ag8 F24 N24 O40 S8 -","4","1","","Yong Cui; Chuan He","Efficient Aziridination of Olefins Catalyzed by a Unique Disilver(I) Compound","Journal of the American Chemical Society","2003","125","","16202","16203","10.1021/ja038668b","","","0.71073","MoKα","","0.0771","0.0744","","","0.157","0.1583","","","","","","1.271","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4119081","9.9752","0.0002","9.9752","0.0002","15.8828","0.0002","90","","90","","90","","1580.41","0.05","150","","150","","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 Mo2 N12 -","- C28 H48 Cl2 Mo2 N12 -","- C56 H96 Cl4 Mo4 N24 -","2","0.125","","Chisholm, Malcolm H.; Gallucci, Judith; Hadad, Christopher M.; Huffman, John C.; Wilson, Paul J.","M2(hpp)4Cl2and M2(hpp)4, Where M = Mo and W: Preparations, Structure and Bonding, and Comparisons with C2, C2H2, and C2Cl2and the Hypothetical Molecules M2(hpp)4(H)2†","Journal of the American Chemical Society","2003","125","51","16040","16049","10.1021/ja0301065","","","0.71073","MoKα","","0.0311","0.0275","","0.0719","0.0706","","","","1.137","1.146","1.146","","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119082","10.3116","0.0004","11.1805","0.0004","13.2926","0.0005","75.702","0.001","81.705","0.001","85.373","0.001","1467.86","0.1","113","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 Cl20 D6 Mo2 N12 -","- C34 H52.056 Cl20 Mo2 N12 -","- C34 H52.056 Cl20 Mo2 N12 -","1","0.5","","Chisholm, Malcolm H.; Gallucci, Judith; Hadad, Christopher M.; Huffman, John C.; Wilson, Paul J.","M2(hpp)4Cl2and M2(hpp)4, Where M = Mo and W: Preparations, Structure and Bonding, and Comparisons with C2, C2H2, and C2Cl2and the Hypothetical Molecules M2(hpp)4(H)2†","Journal of the American Chemical Society","2003","125","51","16040","16049","10.1021/ja0301065","","","0.71073","MoKα","","0.0567","0.0347","","","0.0576","0.0629","","","","","","0.772","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119083","10.3837","0.0001","11.1668","0.0001","13.3458","0.0001","75.728","0.001","81.398","0.001","85.268","0.001","1481.17","0.02","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 Cl20 D6 N12 W2 -","- C34 H54 Cl20 N12 W2 -","- C34 H54 Cl20 N12 W2 -","1","0.5","","Chisholm, Malcolm H.; Gallucci, Judith; Hadad, Christopher M.; Huffman, John C.; Wilson, Paul J.","M2(hpp)4Cl2and M2(hpp)4, Where M = Mo and W: Preparations, Structure and Bonding, and Comparisons with C2, C2H2, and C2Cl2and the Hypothetical Molecules M2(hpp)4(H)2†","Journal of the American Chemical Society","2003","125","51","16040","16049","10.1021/ja0301065","","","0.71073","MoKα","","0.0317","0.025","","0.0575","0.0554","","","","1.035","1.055","1.055","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119085","10.831","0.002","13.165","0.002","14.474","0.003","93.03","0.014","93.74","0.015","105.361","0.015","1980.6","0.6","100","","293","","","","","","","","?","6","P -1","-P 1","2","","","","- C75 H104 F12 N2 O25 P2 -","- C75 H104 F12 N2 O25 P2 -","- C75 H104 F12 N2 O25 P2 -","1","0.5","","Huang, Feihe; Gibson, Harry W.; Bryant, William S.; Nagvekar, Devdatt S.; Fronczek, Frank R.","First Pseudorotaxane-Like [3]Complexes Based on Cryptands and Paraquat: Self-Assembly and Crystal Structures","Journal of the American Chemical Society","2003","125","31","9367","9371","10.1021/ja034968h","","","0.71073","MoKα","","0.1159","0.047","","0.1014","0.0766","0.0766","","","","","","0.9627","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4124479","10.4134","","10.4134","","10.4134","","90","","90","","90","","1129.22","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","H (Nb W O6) (H2 O)","","- H3 Nb O7 W -","- Nb O7 W -","- Nb8 O56 W8 -","8","0.0416667","","Barnes, P.W.; Woodward, P.M.; Lee Yong-Jae; Vogt, T.; Hriljac, J.A.","Pressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+))","Journal of the American Chemical Society","2003","125","","4572","4579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124480","10.3736","","10.3736","","10.3736","","90","","90","","90","","1116.32","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb (Nb W O6)","","- Nb O6 Rb W -","- Nb O6 Rb W -","- Nb8 O48 Rb8 W8 -","8","0.0416667","","Barnes, P.W.; Woodward, P.M.; Lee Yong-Jae; Vogt, T.; Hriljac, J.A.","Pressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+))","Journal of the American Chemical Society","2003","125","","4572","4579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124481","10.522","","10.522","","10.522","","90","","90","","90","","1164.92","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Rb (Nb W O6) (H2 O)","","- H2 Nb O7 Rb W -","- Nb O7 Rb W -","- Nb8 O56 Rb8 W8 -","8","0.0416667","","Barnes, P.W.; Woodward, P.M.; Vogt, T.; Lee Yong-Jae; Hriljac, J.A.","Pressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+))","Journal of the American Chemical Society","2003","125","","4572","4579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124482","10.36","","10.36","","10.36","","90","","90","","90","","1111.94","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","(N H4) (Nb W O6)","","- H4 N Nb O6 W -","- N Nb O6 W -","- N8 Nb8 O48 W8 -","8","0.0416667","","Barnes, P.W.; Hriljac, J.A.; Lee Yong-Jae; Woodward, P.M.; Vogt, T.","Pressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+))","Journal of the American Chemical Society","2003","125","","4572","4579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124483","10.49","","10.49","","10.49","","90","","90","","90","","1154.32","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","(N H4) (Nb W O6) (H2 O)","","- H6 N Nb O7 W -","- N Nb O7 W -","- N8 Nb8 O56 W8 -","8","0.0416667","","Barnes, P.W.; Woodward, P.M.; Lee Yong-Jae; Hriljac, J.A.; Vogt, T.","Pressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+))","Journal of the American Chemical Society","2003","125","","4572","4579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124484","9","","9","","3.687","","90","","90","","120","","258.636","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","","","- Lu8 Te -","- Lu8 Te -","- Lu8 Te -","1","0.0833333","","Chen Ling; Corbett, J.D.","Lu8 Te and Lu7 Te. Novel substitutional derivatives of lutetium metal","Journal of the American Chemical Society","2003","125","","7794","7795","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124489","25.1106","","12.4972","","12.8596","","90","","90","","90","","4035.5","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","Si O2","","- O2 Si -","- O2 Si -","- O148 Si74 -","74","9.25","","Burton, A.; Medrud, R.C.; Elomari, S.; Chen Congyan; Chan, I.Y.; Vittoratos, E.S.; Bull, L.M.","The synthesis, characterization and structure solution of SSZ-58: a novel two-dimensional 10-ring pore zeolite with previously unseen double 5-ring subunit","Journal of the American Chemical Society","2003","125","","1633","1642","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124496","3.7418","","12.278","","19.77","","90","","90","","90","","908.27","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Lu7 Te -","- Lu7 Te -","- Lu28 Te4 -","4","0.25","","Chen Ling; Corbett, J.D.","Lu8 Te and Lu7 Te. Novel substitutional derivatives of lutetium metal","Journal of the American Chemical Society","2003","125","","7794","7795","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124497","15.62","","7.81","","12.932","","90","","90","","90","","1577.6","","","","","","","","","","","","","3","P 1","P 1","1","","(Sr (Ti O3)) (Ti O2)","","- O5 Sr Ti2 -","- O5 Sr Ti2 -","- O40 Sr8 Ti16 -","8","8","","Erdman, N.; Warschkow, O.; Asta, M.; Ellis, D.E.; Poeppelmeier, K.R.; Marks, L.D.","Surface structures of Sr Ti O3 (001): A (Ti O2)-rich reconstruction with a c(4 X 2) unit cell","Journal of the American Chemical Society","2003","125","","10050","10056","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124498","15.62","","7.81","","12.932","","90","","90","","90","","1577.6","","","","","","","","","","","","","2","P 1","P 1","1","","Ti O2","","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","8","","Erdman, N.; Asta, M.; Warschkow, O.; Ellis, D.E.; Poeppelmeier, K.R.; Marks, L.D.","Surface structures of Sr Ti O3 (001): A (Ti O2)-rich reconstruction with a c(4 X 2) unit cell","Journal of the American Chemical Society","2003","125","","10050","10056","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124514","3.611","","3.611","","12.818","","90","","90","","120","","144.746","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Zr2 N2 S","","- N2 S Zr2 -","- N2 S Zr2 -","- N4 S2 Zr4 -","2","0.0833333","","Stoltz, C.; Sirchio, S.A.; Ramesha, K.; Gonen, Z.S.; Eichhorn, B.W.; Salamanca-Riba, L.; Gopalakrishnan, J.","Topochemical anion metathesis routes to the Zr2 N2 S phases and the Na2 S and A Cl derivatives (A = Na, K, Rb)","Journal of the American Chemical Society","2003","125","","4285","4292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124515","3.637","","3.637","","29.49","","90","","90","","120","","337.825","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na0.95 Zr2 N2 S1.836","","- N2 Na0.95 S1.836 Zr2 -","- N2 Na0.95 S1.836 Zr2 -","- N6 Na2.85 S5.508 Zr6 -","3","0.0833333","","Stoltz, C.; Sirchio, S.A.; Ramesha, K.; Gonen, Z.S.; Eichhorn, B.W.; Salamanca-Riba, L.; Gopalakrishnan, J.","Topochemical anion metathesis routes to the Zr2 N2 S phases and the Na2 S and A Cl derivatives (A = Na, K, Rb)","Journal of the American Chemical Society","2003","125","","4285","4292","","","","","","","","","","","","","","","","","","","","","","has coordinates","157800","2020-10-21","18:00:00",""
"4124516","14.926","","10.13","","10.95","","90","","96.111","","90","","1646.24","","","","","","","","","","","","","2","P 1","P 1","1","","Eu2.73 C70","","- C70 Eu2.73 -","- C70 Eu2.731 -","- C140 Eu5.462 -","2","2","","Takenobu, T.; Chi, D.H.; Kato, K.-I.; Prassides, K.; Margadonna, S.; Fitch, A.N.; Kubozono, Y.; Iwasa, Y.","Synthesis, structure and magnetic properties of the fullerene-based ferromagnets Eu3 C70 and Eu9 C70","Journal of the American Chemical Society","2003","125","","1897","1904","","","","","","","","","","","","","","","","","","","","","","has coordinates","157842","2020-10-21","18:00:00",""
"4124517","15.0572","","15.0572","","15.0572","","90","","90","","90","","3413.76","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Eu8.74 C70","","- C70 Eu8.74 -","- C70 Eu8.74 -","- C280 Eu34.96 -","4","0.0208333","","Takenobu, T.; Chi, D.H.; Prassides, K.; Margadonna, S.; Kubozono, Y.; Fitch, A.N.; Kato, K.-I.; Iwasa, Y.","Synthesis, structure and magnetic properties of the fullerene-based ferromagnets Eu3 C70 and Eu9 C70","Journal of the American Chemical Society","2003","125","","1897","1904","","","","","","","","","","","","","","","","","","","","","","has coordinates","157845","2020-10-21","18:00:00",""
"4124518","3.7919","","3.7919","","9.4973","","90","","90","","90","","136.557","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Li0.026 Ti O2","","- Li0.026 O2 Ti -","- Li0.026 O2 Ti -","- Li0.104 O8 Ti4 -","4","0.125","","Wagemaker, M.; van Well, A.A.; Kearley, G.J.; Mutka, H.; Mulder, F.M.","Multiple Li positions inside oxygen octahedra in lithiated Ti O2 anatase","Journal of the American Chemical Society","2003","125","","840","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124519","3.8186","","4.0842","","9.0656","","90","","90","","90","","141.386","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Li0.51 Ti O2","","- Li0.51 O2 Ti -","- Li0.51 O2 Ti -","- Li2.04 O8 Ti4 -","4","0.25","","Wagemaker, M.; Kearley, G.J.; van Well, A.A.; Mutka, H.; Mulder, F.M.","Multiple Li positions inside oxygen octahedra in lithiated Ti O2 anatase","Journal of the American Chemical Society","2003","125","","840","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124520","3.8141","","4.0771","","9.042","","90","","90","","90","","140.607","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Li0.59 Ti O2","","- Li0.59 O2 Ti -","- Li0.59 O2 Ti -","- Li2.36 O8 Ti4 -","4","0.25","","Wagemaker, M.; Kearley, G.J.; van Well, A.A.; Mutka, H.; Mulder, F.M.","Multiple Li positions inside oxygen octahedra in lithiated Ti O2 anatase","Journal of the American Chemical Society","2003","125","","840","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124522","3.605","","3.605","","6.412","","90","","90","","120","","72.166","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Zr2 N2 S","","- N2 S Zr2 -","- N2 S Zr2 -","- N2 S Zr2 -","1","0.0833333","","Stoltz, C.; Ramesha, K.; Sirchio, S.A.; Gonen, Z.S.; Eichhorn, B.W.; Salamanca-Riba, L.; Gopalakrishnan, J.","Topochemical anion metathesis routes to the Zr2 N2 S phases and the Na2 S and A Cl derivatives (A = Na, K, Rb)","Journal of the American Chemical Society","2003","125","","4285","4292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124523","8.6056","","8.5917","","12.037","","90","","90.609","","90","","889.926","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li3 V2 (P O4)3","","- Li3 O12 P3 V2 -","- Li3 O12 P3 V2 -","- Li12 O48 P12 V8 -","4","1","","Yin, S.-C.; Nazar, L.F.; Grondey, H.; Anne, M.; Strobel, P.","Electrochemical property: structure relationships in monoclinic Li3-y V2 (P O4)3","Journal of the American Chemical Society","2003","125","","10402","10411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124524","8.3006","","8.5176","","11.6526","","90","","89.605","","90","","823.833","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li V2 (P O4)3","","- Li O12 P3 V2 -","- Li O12 P3 V2 -","- Li4 O48 P12 V8 -","4","1","","Yin, S.-C.; Grondey, H.; Strobel, P.; Nazar, L.F.; Anne, M.","Electrochemical property: structure relationships in monoclinic Li3-y V2 (P O4)3","Journal of the American Chemical Society","2003","125","","10402","10411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124525","8.4067","","8.5152","","11.5903","","90","","89.129","","90","","829.593","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","V2 (P O4)3","","- O12 P3 V2 -","- O12 P3 V2 -","- O48 P12 V8 -","4","1","","Yin, S.-C.; Grondey, H.; Anne, M.; Strobel, P.; Nazar, L.F.","Electrochemical property: structure relationships in monoclinic Li3-y V2 (P O4)3","Journal of the American Chemical Society","2003","125","","10402","10411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124526","8.309","","8.5854","","11.3875","","90","","89.312","","90","","812.281","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li0.89 V2 (P O4)3","","- Li0.89 O12 P3 V2 -","- Li0.89 O12 P3 V2 -","- Li3.56 O48 P12 V8 -","4","1","","Yin, S.-C.; Strobel, P.; Grondey, H.; Anne, M.; Nazar, L.F.","Electrochemical property: structure relationships in monoclinic Li3-y V2 (P O4)3","Journal of the American Chemical Society","2003","125","","10402","10411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124615","21.03","","21.03","","8.53","","90","","90","","120","","3267.07","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","K11.52 ((Ga11.52 Si36.48) O96)","","- Ga11.52 K8.88 O96 Si36.48 -","- Ga11.52 K8.88 O96 Si36.48 -","- Ga11.52 K8.88 O96 Si36.48 -","1","0.0833333","","Strohmaier, K.G.; Vaughan, D.E.W.","Structure of the first silicate molecular sieve with 18-ring pore openings, ECR-34","Journal of the American Chemical Society","2003","125","","16035","16039","","","","","","","","","","","","","","","","","","","","","","has coordinates","160072","2020-10-21","18:00:00",""
"4124773","18.23818","","18.23818","","10.212","","90","","90","","56.3717","","2828.36","","","","","","","","","","","","","8","P 1","P 1","1","","(Rb2 Ga9 (P O4)8 (H P O4) F7) (H2 C6 H12 (N H2)2)2 (H2 O)4.5","","- C12 H46 F7 Ga9 N4 O40.5 P9 Rb2 -","- C12 H46 F7 Ga9 N4 O40.5 P9 Rb2 -","- C24 H92 F14 Ga18 N8 O81 P18 Rb4 -","2","2","","Beitone, L.; Marrot, J.; Taulelle, F.; Loiseau, T.; Henry, M.; Huguenard, C.; Ferey, G.; Gansmuller, A.","MIL-50, an open-framework Ga P O with a periodic pattern of small water ponds and dry rubidium atoms: a combined XRD, NMR and computational study","Journal of the American Chemical Society","2003","125","","1912","1922","","","","","","","","","","","","","","","","","","","","","","has coordinates","172612","2020-10-21","18:00:00",""
"4124847","9.649","","8.393","","9.72","","90","","95.08","","90","","784.073","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(K1.6 Rb0.4) (Hg3 Ge2 S8)","","- Ge2 Hg3 K1.6 Rb0.4 S8 -","- Ge2 Hg3 K1.6 Rb0.4 S8 -","- Ge4 Hg6 K3.2 Rb0.8 S16 -","2","0.5","","Liao, J.-H.; Marking, G.M.; Ewbank, M.D.; Hsu, K.-F.; Rosker, M.J.; Kanatzidis, M.G.; Matsushita, Y.; Borwick, R.; Cunningham, P.","Alpha- and beta-(A2 Hg3 M2 S8) (A = K, Rb; M = Ge, Sn): polar quaternary chalcogenides with strong nonlinear optical response","Journal of the American Chemical Society","2003","125","","9484","9493","","","","","","","","","","","","","","","","","","","","","","has coordinates","173968","2020-10-21","18:00:00",""
"8103388","9.22","","7.84","","8.06","","66.42","","65.28","","74.9","","481.987","","","","","","","","","","","","","5","P -1","-P 1","2","","Ag Pb Tl As2 S5","","- Ag As2 Pb S5 Tl -","- Ag As2 Pb S5 Tl -","- Ag2 As4 Pb2 S10 Tl2 -","2","1","","Nowacki, W.; Marumo, F.","The crystal structure of hatchite, Pb Tl Ag As2 S5","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1967","125","","249","265","10.1524/zkri.1967.125.125.249","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103833","4.82","","5.76","","4.97","","90","","89.12","","90","","137.967","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Mn W O4","","- Mn O4 W -","- Mn O4 W -","- Mn2 O8 W2 -","2","0.5","","Dachs, H.; Stoll, E.; Weitzel, H.","Kristallstruktur und magnetische Ordnung des Huebnerits, Mn W O4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","125","","120","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104219","6.73","","13.95","","10.03","","90","","111.52","","90","","876.009","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Ca (Al2 Si6 O16)","","- Al2 Ca O16 Si6 -","- Al2 Ca O16 Si6 -","- Al4 Ca2 O32 Si12 -","2","1","","Kerr, I.S.; Williams, D.J.","The crystal structure of yugawaralite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","125","","220","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104274","3.3994","","3.3994","","11.377","","90","","90","","90","","131.472","","","","","","","","","","","","","3","B m m b","-B 2b 2","63","","Na (O H)","","- H Na O -","- Na O -","- Na4 O4 -","4","0.25","","Stehr, H.","Neubestimmung der Kristallstrukturen des dimorphen Natriumhydroxids, NaOH, bei verschiedenen Temperaturen mit Röntgenstrahl- und Neutronenbeugung","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","125","","332","359","10.1524/zkri.1967.125.16.332","","","","","","","","","","","","","","","","","","","","","has coordinates","208257","2020-10-21","18:00:00",""
"8104275","3.434","","3.428","","6.068","","90","","109.83","","90","","67.195","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Na (O H)","","- H Na O -","- H Na O -","- H2 Na2 O2 -","2","0.5","","Stehr, H.","Neubestimmung der Kristallstrukturen des dimorphen Natriumhydroxids, Na O H, bei verschiedenen Temperaturen mit Roentgenstrahl- und Neutronenbeugung","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","125","","332","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","301880","2025-08-22","23:45:51",""
"9008130","7.9816","","7.9816","","7.9816","","90","","90","","90","","508.475","","","","","","","","","","","","Cornwall, England","4","P -4 3 m","P -4 2 3","215","","","Pharmacosiderite","- As3 Fe4 H20 O21 -","- As3 Fe4 H10 O21 -","- As3 Fe4 H10 O21 -","1","0.0416667","","Buerger, M. J.; Dollase, W. A.; Garaycochea-Wittke I","The structure and composition of the mineral pharmacosiderite Note: the K atom could not be located","Zeitschrift fur Kristallographie","1967","125","","92","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9008131","4.82","","5.76","","4.97","","90","","89.12","","90","","137.967","","","","4.2","","","","","","","","Henderson, North Carolina, USA","4","P 1 2/c 1","-P 2yc","13","","","Hubnerite","- Fe0.03 Mn0.97 O4 W -","- Fe0.03 Mn0.97 O4 W -","- Fe0.06 Mn1.94 O8 W2 -","2","0.5","","Dachs, H.; Stoll, E.; Weitzel, H.","Kristallstruktur und magnetische ordnung des hubnerits, MnWO4 Note: T = 4.2 K","Zeitschrift fur Kristallographie","1967","125","","120","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008132","5.1963","0.0004","5.1963","0.0004","29.9705","0.0016","90","","90","","120","","700.831","","","","","","","","","","","","In granodiorite near Sunrise Copper Prospect, Sultan Basin, Snohomish County, Washington, USA","11","P 31 1 2","P 31 2 (0 0 4)","151","","","Muscovite-3T","- Al2.53 Ba0.02 Ca0.02 Fe0.08 H2 K0.9 Mg0.08 Na0.06 O12 Si3.3 Ti0.01 -","- C0.02 H2 Al2.53 Ba0.02 Fe0.08 K0.9 Mg0.08 Na0.06 O12 Si3.3 Ti0.01 -","- C0.06 H6 Al7.59 Ba0.06 Fe0.24 K2.7 Mg0.24 Na0.18 O36 Si9.9 Ti0.03 -","3","0.5","","Güven, N.; Burnham, C. W.","The Crystal Structure of 3T Muscovite","Zeitschrift für Kristallographie","1967","125","","163","183","10.1524/zkri.1967.125.125.163","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9008133","9.37","","7.84","","8.06","","66.42","","63.33","","84.97","","481.86","","","","","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","5","P -1","-P 1","2","","","Hatchite","- Ag As2 Pb S5 Tl -","- Ag As2 Pb S5 Tl -","- Ag2 As4 Pb2 S10 Tl2 -","2","1","","Marumo, F.; Nowacki, W.","The crystal structure of hatchite, PbTlAgAs2S5","Zeitschrift fur Kristallographie","1967","125","","249","265","10.1524/zkri.1967.125.125.249","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008134","7.988","","7.04","","7.025","","90.52","","95.18","","102.47","","383.994","","","","","","","","","","","","Erie railroad cut, Bergen Hill, New Jersey, USA","5","P -1","-P 1","2","","","Pectolite","- Ca2 H Na O9 Si3 -","- Ca2 H Na O9 Si3 -","- Ca4 H2 Na2 O18 Si6 -","2","1","","Prewitt, C. T.","Refinement of the structure of pectolite, Ca2NaHSi3O9","Zeitschrift fur Kristallographie","1967","125","","298","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008136","7.319","","7.319","","7.319","","90","","90","","90","","392.062","","","","","","","","","","","","Manjaka, Madagascar","5","P -4 3 m","P -4 2 3","215","","","Londonite","- Al4 B12 Be4 Cs O28 -","- Al4 B12 Be4 Cs O28 -","- Al4 B12 Be4 Cs O28 -","1","0.0416667","","Taxer, K. J.; Buerger, M. J.","The crystal struture of rhodizite Note: name of mineral altered according to IMA decision in 1999 to name the Cs dominant phase: londonite","Zeitschrift fur Kristallographie","1967","125","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008137","5.893","","5.893","","23.194","","90","","90","","120","","697.556","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","Barioferrite","- Ba Fe12 O19 -","- Ba Fe12 O19 -","- Ba2 Fe24 O38 -","2","0.0833333","","Townes, W. D.; Fang, J. H.; Perrotta, A. J.","The crystal structure and refinement of ferrimagnetic barium ferrite, BaFe12O19","Zeitschrift fur Kristallographie","1967","125","","437","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008138","7.2705","","12.6319","","5.9853","","90","","91.228","","90","","549.565","","","","","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","4","P 1 21/a 1","-P 2yab","14","","","Marrite","- Ag As Pb S3 -","- Ag As Pb S3 -","- Ag4 As4 Pb4 S12 -","4","1","","Wuensch, B. J.; Nowacki, W.","The crystal structure of marrite, PbAgAsS3","Zeitschrift fur Kristallographie","1967","125","","459","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9017919","6.4512","","15.3227","","6.3253","","90.131","","100.9","","85.966","","612.414","","","","","","","","","","","","Apuan Alps, Tuscany, Italy","5","P -1","-P 1","2","","","Romerite","- Fe2.937 H28 Mg0.063 O30 S4 -","- Fe2.937 H28 Mg0.063 O30 S4 -","- Fe2.937 H28 Mg0.063 O30 S4 -","1","0.5","","Mauro, D.; Biagioni, C.; Pasero, M.; Zaccarini, F.","Crystal-chemistry of sulfates from Apuan Alps (Tuscany, Italy). II. Crystal structure and hydrogen bonding system of romerite, Fe2+Fe3+2(SO4)4(H2O)14","Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A","2019","125","","5","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""